USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 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 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -90:sc= -0.889 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.07 K(o=-2.1,f=-6.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 36 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.14) USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.967 USER MOD Single : A 41 THR OG1 : rot 171:sc= -1.75! USER MOD Single : A 46 GLN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.21 K(o=1.2,f=-7.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 58 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.9!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 2.002 -0.529 -1.324 1.00 12.53 N ATOM 2 CA MET A 19 2.669 -0.357 -2.609 1.00 60.41 C ATOM 3 C MET A 19 2.273 -1.466 -3.579 1.00 70.11 C ATOM 4 O MET A 19 2.389 -2.650 -3.265 1.00 14.24 O ATOM 5 CB MET A 19 4.187 -0.346 -2.422 1.00 44.21 C ATOM 6 CG MET A 19 4.934 0.335 -3.558 1.00 24.42 C ATOM 7 SD MET A 19 5.200 -0.758 -4.967 1.00 64.12 S ATOM 8 CE MET A 19 6.060 0.341 -6.090 1.00 40.02 C ATOM 0 HA MET A 19 2.355 0.599 -3.029 1.00 60.41 H new ATOM 0 HB2 MET A 19 4.426 0.159 -1.486 1.00 44.21 H new ATOM 0 HB3 MET A 19 4.541 -1.373 -2.329 1.00 44.21 H new ATOM 0 HG2 MET A 19 4.373 1.211 -3.883 1.00 24.42 H new ATOM 0 HG3 MET A 19 5.897 0.691 -3.192 1.00 24.42 H new ATOM 0 HE1 MET A 19 6.294 -0.191 -7.012 1.00 40.02 H new ATOM 0 HE2 MET A 19 5.426 1.198 -6.317 1.00 40.02 H new ATOM 0 HE3 MET A 19 6.984 0.686 -5.625 1.00 40.02 H new ATOM 18 N GLY A 20 1.805 -1.074 -4.760 1.00 52.12 N ATOM 19 CA GLY A 20 1.398 -2.047 -5.757 1.00 44.13 C ATOM 20 C GLY A 20 0.068 -1.701 -6.397 1.00 22.15 C ATOM 21 O GLY A 20 -0.289 -0.528 -6.509 1.00 31.05 O ATOM 0 H GLY A 20 1.700 -0.100 -5.044 1.00 52.12 H new ATOM 0 HA2 GLY A 20 2.164 -2.112 -6.530 1.00 44.13 H new ATOM 0 HA3 GLY A 20 1.329 -3.031 -5.293 1.00 44.13 H new ATOM 25 N CYS A 21 -0.667 -2.724 -6.819 1.00 32.11 N ATOM 26 CA CYS A 21 -1.965 -2.524 -7.453 1.00 3.34 C ATOM 27 C CYS A 21 -3.081 -3.137 -6.612 1.00 51.21 C ATOM 28 O CYS A 21 -2.833 -3.979 -5.748 1.00 51.32 O ATOM 29 CB CYS A 21 -1.971 -3.137 -8.854 1.00 52.23 C ATOM 30 SG CYS A 21 -1.454 -1.988 -10.171 1.00 32.44 S ATOM 0 H CYS A 21 -0.386 -3.701 -6.733 1.00 32.11 H new ATOM 0 HA CYS A 21 -2.142 -1.451 -7.533 1.00 3.34 H new ATOM 0 HB2 CYS A 21 -1.310 -4.004 -8.863 1.00 52.23 H new ATOM 0 HB3 CYS A 21 -2.975 -3.499 -9.076 1.00 52.23 H new ATOM 35 N THR A 22 -4.313 -2.709 -6.871 1.00 41.15 N ATOM 36 CA THR A 22 -5.467 -3.214 -6.140 1.00 34.15 C ATOM 37 C THR A 22 -6.455 -3.900 -7.076 1.00 53.13 C ATOM 38 O THR A 22 -6.638 -3.478 -8.219 1.00 22.05 O ATOM 39 CB THR A 22 -6.193 -2.084 -5.385 1.00 42.21 C ATOM 40 OG1 THR A 22 -6.497 -1.011 -6.284 1.00 23.32 O ATOM 41 CG2 THR A 22 -5.339 -1.564 -4.238 1.00 34.41 C ATOM 0 H THR A 22 -4.536 -2.013 -7.582 1.00 41.15 H new ATOM 0 HA THR A 22 -5.090 -3.940 -5.419 1.00 34.15 H new ATOM 0 HB THR A 22 -7.119 -2.487 -4.974 1.00 42.21 H new ATOM 0 HG1 THR A 22 -6.960 -0.297 -5.797 1.00 23.32 H new ATOM 0 HG21 THR A 22 -5.872 -0.767 -3.720 1.00 34.41 H new ATOM 0 HG22 THR A 22 -5.133 -2.376 -3.541 1.00 34.41 H new ATOM 0 HG23 THR A 22 -4.399 -1.176 -4.631 1.00 34.41 H new ATOM 49 N TYR A 23 -7.091 -4.958 -6.586 1.00 63.41 N ATOM 50 CA TYR A 23 -8.060 -5.704 -7.381 1.00 5.11 C ATOM 51 C TYR A 23 -9.429 -5.706 -6.708 1.00 70.45 C ATOM 52 O TYR A 23 -9.532 -5.683 -5.482 1.00 35.25 O ATOM 53 CB TYR A 23 -7.580 -7.141 -7.592 1.00 2.14 C ATOM 54 CG TYR A 23 -8.597 -8.024 -8.279 1.00 23.13 C ATOM 55 CD1 TYR A 23 -8.677 -8.075 -9.665 1.00 34.20 C ATOM 56 CD2 TYR A 23 -9.477 -8.807 -7.542 1.00 52.31 C ATOM 57 CE1 TYR A 23 -9.605 -8.880 -10.297 1.00 73.03 C ATOM 58 CE2 TYR A 23 -10.407 -9.616 -8.166 1.00 12.51 C ATOM 59 CZ TYR A 23 -10.467 -9.649 -9.544 1.00 15.45 C ATOM 60 OH TYR A 23 -11.393 -10.452 -10.169 1.00 35.04 O ATOM 0 H TYR A 23 -6.953 -5.319 -5.642 1.00 63.41 H new ATOM 0 HA TYR A 23 -8.152 -5.214 -8.350 1.00 5.11 H new ATOM 0 HB2 TYR A 23 -6.665 -7.126 -8.184 1.00 2.14 H new ATOM 0 HB3 TYR A 23 -7.327 -7.576 -6.625 1.00 2.14 H new ATOM 0 HD1 TYR A 23 -8.003 -7.475 -10.258 1.00 34.20 H new ATOM 0 HD2 TYR A 23 -9.433 -8.783 -6.463 1.00 52.31 H new ATOM 0 HE1 TYR A 23 -9.655 -8.907 -11.376 1.00 73.03 H new ATOM 0 HE2 TYR A 23 -11.083 -10.219 -7.578 1.00 12.51 H new ATOM 0 HH TYR A 23 -12.223 -9.949 -10.306 1.00 35.04 H new ATOM 70 N THR A 24 -10.480 -5.735 -7.522 1.00 33.42 N ATOM 71 CA THR A 24 -11.844 -5.741 -7.008 1.00 52.41 C ATOM 72 C THR A 24 -12.491 -7.110 -7.179 1.00 21.40 C ATOM 73 O THR A 24 -12.730 -7.558 -8.301 1.00 31.43 O ATOM 74 CB THR A 24 -12.714 -4.683 -7.713 1.00 72.14 C ATOM 75 OG1 THR A 24 -11.890 -3.622 -8.210 1.00 31.53 O ATOM 76 CG2 THR A 24 -13.758 -4.118 -6.761 1.00 64.33 C ATOM 0 H THR A 24 -10.412 -5.755 -8.540 1.00 33.42 H new ATOM 0 HA THR A 24 -11.782 -5.502 -5.946 1.00 52.41 H new ATOM 0 HB THR A 24 -13.227 -5.164 -8.546 1.00 72.14 H new ATOM 0 HG1 THR A 24 -12.451 -2.955 -8.658 1.00 31.53 H new ATOM 0 HG21 THR A 24 -14.360 -3.373 -7.282 1.00 64.33 H new ATOM 0 HG22 THR A 24 -14.402 -4.923 -6.408 1.00 64.33 H new ATOM 0 HG23 THR A 24 -13.261 -3.652 -5.910 1.00 64.33 H new ATOM 84 N ILE A 25 -12.772 -7.770 -6.061 1.00 31.44 N ATOM 85 CA ILE A 25 -13.393 -9.089 -6.088 1.00 11.22 C ATOM 86 C ILE A 25 -14.891 -8.985 -6.354 1.00 31.42 C ATOM 87 O ILE A 25 -15.667 -8.647 -5.461 1.00 54.20 O ATOM 88 CB ILE A 25 -13.169 -9.844 -4.764 1.00 71.15 C ATOM 89 CG1 ILE A 25 -11.693 -9.790 -4.365 1.00 12.35 C ATOM 90 CG2 ILE A 25 -13.636 -11.286 -4.892 1.00 71.31 C ATOM 91 CD1 ILE A 25 -11.394 -10.496 -3.061 1.00 30.12 C ATOM 0 H ILE A 25 -12.580 -7.413 -5.125 1.00 31.44 H new ATOM 0 HA ILE A 25 -12.920 -9.645 -6.898 1.00 11.22 H new ATOM 0 HB ILE A 25 -13.755 -9.360 -3.983 1.00 71.15 H new ATOM 0 HG12 ILE A 25 -11.094 -10.239 -5.157 1.00 12.35 H new ATOM 0 HG13 ILE A 25 -11.385 -8.748 -4.284 1.00 12.35 H new ATOM 0 HG21 ILE A 25 -13.471 -11.807 -3.949 1.00 71.31 H new ATOM 0 HG22 ILE A 25 -14.698 -11.304 -5.136 1.00 71.31 H new ATOM 0 HG23 ILE A 25 -13.074 -11.782 -5.683 1.00 71.31 H new ATOM 0 HD11 ILE A 25 -10.329 -10.418 -2.841 1.00 30.12 H new ATOM 0 HD12 ILE A 25 -11.966 -10.033 -2.257 1.00 30.12 H new ATOM 0 HD13 ILE A 25 -11.671 -11.547 -3.144 1.00 30.12 H new ATOM 103 N GLN A 26 -15.289 -9.281 -7.587 1.00 33.11 N ATOM 104 CA GLN A 26 -16.695 -9.222 -7.970 1.00 31.42 C ATOM 105 C GLN A 26 -17.312 -10.617 -7.991 1.00 12.01 C ATOM 106 O GLN A 26 -16.619 -11.627 -8.109 1.00 22.52 O ATOM 107 CB GLN A 26 -16.844 -8.565 -9.343 1.00 14.12 C ATOM 108 CG GLN A 26 -16.769 -7.047 -9.302 1.00 20.11 C ATOM 109 CD GLN A 26 -18.026 -6.415 -8.738 1.00 74.31 C ATOM 110 OE1 GLN A 26 -18.437 -6.715 -7.617 1.00 23.44 O ATOM 111 NE2 GLN A 26 -18.646 -5.534 -9.515 1.00 21.22 N ATOM 0 H GLN A 26 -14.659 -9.564 -8.337 1.00 33.11 H new ATOM 0 HA GLN A 26 -17.223 -8.622 -7.229 1.00 31.42 H new ATOM 0 HB2 GLN A 26 -16.063 -8.941 -10.003 1.00 14.12 H new ATOM 0 HB3 GLN A 26 -17.799 -8.862 -9.777 1.00 14.12 H new ATOM 0 HG2 GLN A 26 -15.913 -6.746 -8.698 1.00 20.11 H new ATOM 0 HG3 GLN A 26 -16.597 -6.668 -10.310 1.00 20.11 H new ATOM 0 HE21 GLN A 26 -18.271 -5.315 -10.438 1.00 21.22 H new ATOM 0 HE22 GLN A 26 -19.497 -5.077 -9.189 1.00 21.22 H new ATOM 120 N PRO A 27 -18.647 -10.676 -7.874 1.00 11.33 N ATOM 121 CA PRO A 27 -19.387 -11.941 -7.877 1.00 31.13 C ATOM 122 C PRO A 27 -19.197 -12.721 -9.173 1.00 42.23 C ATOM 123 O PRO A 27 -19.927 -12.519 -10.143 1.00 24.30 O ATOM 124 CB PRO A 27 -20.845 -11.500 -7.727 1.00 51.33 C ATOM 125 CG PRO A 27 -20.853 -10.070 -8.145 1.00 43.30 C ATOM 126 CD PRO A 27 -19.537 -9.511 -7.730 1.00 22.24 C ATOM 0 HA PRO A 27 -19.048 -12.613 -7.089 1.00 31.13 H new ATOM 0 HB2 PRO A 27 -21.506 -12.099 -8.353 1.00 51.33 H new ATOM 0 HB3 PRO A 27 -21.189 -11.614 -6.699 1.00 51.33 H new ATOM 0 HG2 PRO A 27 -20.992 -9.980 -9.222 1.00 43.30 H new ATOM 0 HG3 PRO A 27 -21.673 -9.530 -7.671 1.00 43.30 H new ATOM 0 HD2 PRO A 27 -19.228 -8.681 -8.366 1.00 22.24 H new ATOM 0 HD3 PRO A 27 -19.557 -9.138 -6.706 1.00 22.24 H new ATOM 134 N GLY A 28 -18.211 -13.613 -9.183 1.00 1.10 N ATOM 135 CA GLY A 28 -17.943 -14.410 -10.366 1.00 0.30 C ATOM 136 C GLY A 28 -16.460 -14.560 -10.640 1.00 22.52 C ATOM 137 O GLY A 28 -16.047 -15.448 -11.387 1.00 4.51 O ATOM 0 H GLY A 28 -17.593 -13.798 -8.393 1.00 1.10 H new ATOM 0 HA2 GLY A 28 -18.388 -15.397 -10.244 1.00 0.30 H new ATOM 0 HA3 GLY A 28 -18.424 -13.948 -11.228 1.00 0.30 H new ATOM 141 N ASP A 29 -15.657 -13.692 -10.035 1.00 50.45 N ATOM 142 CA ASP A 29 -14.211 -13.732 -10.218 1.00 42.55 C ATOM 143 C ASP A 29 -13.597 -14.894 -9.445 1.00 30.23 C ATOM 144 O ASP A 29 -13.846 -15.060 -8.250 1.00 2.20 O ATOM 145 CB ASP A 29 -13.581 -12.413 -9.766 1.00 54.12 C ATOM 146 CG ASP A 29 -14.162 -11.215 -10.492 1.00 33.31 C ATOM 147 OD1 ASP A 29 -14.818 -11.414 -11.536 1.00 72.50 O ATOM 148 OD2 ASP A 29 -13.962 -10.079 -10.015 1.00 41.21 O ATOM 0 H ASP A 29 -15.983 -12.952 -9.413 1.00 50.45 H new ATOM 0 HA ASP A 29 -14.008 -13.878 -11.279 1.00 42.55 H new ATOM 0 HB2 ASP A 29 -13.730 -12.291 -8.693 1.00 54.12 H new ATOM 0 HB3 ASP A 29 -12.505 -12.451 -9.936 1.00 54.12 H new ATOM 153 N THR A 30 -12.794 -15.699 -10.134 1.00 0.01 N ATOM 154 CA THR A 30 -12.146 -16.847 -9.513 1.00 35.43 C ATOM 155 C THR A 30 -10.674 -16.566 -9.237 1.00 42.04 C ATOM 156 O THR A 30 -10.001 -15.899 -10.024 1.00 13.11 O ATOM 157 CB THR A 30 -12.261 -18.103 -10.397 1.00 62.24 C ATOM 158 OG1 THR A 30 -12.332 -17.726 -11.777 1.00 1.11 O ATOM 159 CG2 THR A 30 -13.491 -18.917 -10.025 1.00 63.30 C ATOM 0 H THR A 30 -12.577 -15.577 -11.123 1.00 0.01 H new ATOM 0 HA THR A 30 -12.661 -17.028 -8.569 1.00 35.43 H new ATOM 0 HB THR A 30 -11.376 -18.717 -10.233 1.00 62.24 H new ATOM 0 HG1 THR A 30 -12.403 -18.530 -12.333 1.00 1.11 H new ATOM 0 HG21 THR A 30 -13.550 -19.799 -10.663 1.00 63.30 H new ATOM 0 HG22 THR A 30 -13.420 -19.228 -8.983 1.00 63.30 H new ATOM 0 HG23 THR A 30 -14.385 -18.309 -10.162 1.00 63.30 H new ATOM 167 N PHE A 31 -10.178 -17.079 -8.116 1.00 43.04 N ATOM 168 CA PHE A 31 -8.783 -16.882 -7.737 1.00 74.32 C ATOM 169 C PHE A 31 -7.849 -17.276 -8.878 1.00 0.45 C ATOM 170 O PHE A 31 -7.060 -16.461 -9.356 1.00 65.30 O ATOM 171 CB PHE A 31 -8.453 -17.700 -6.487 1.00 3.33 C ATOM 172 CG PHE A 31 -8.690 -16.955 -5.204 1.00 25.21 C ATOM 173 CD1 PHE A 31 -7.729 -16.946 -4.205 1.00 72.13 C ATOM 174 CD2 PHE A 31 -9.873 -16.265 -4.997 1.00 1.25 C ATOM 175 CE1 PHE A 31 -7.944 -16.262 -3.024 1.00 2.43 C ATOM 176 CE2 PHE A 31 -10.093 -15.578 -3.817 1.00 61.34 C ATOM 177 CZ PHE A 31 -9.128 -15.578 -2.829 1.00 43.33 C ATOM 0 H PHE A 31 -10.721 -17.634 -7.454 1.00 43.04 H new ATOM 0 HA PHE A 31 -8.636 -15.824 -7.520 1.00 74.32 H new ATOM 0 HB2 PHE A 31 -9.056 -18.608 -6.487 1.00 3.33 H new ATOM 0 HB3 PHE A 31 -7.409 -18.010 -6.530 1.00 3.33 H new ATOM 0 HD1 PHE A 31 -6.802 -17.480 -4.352 1.00 72.13 H new ATOM 0 HD2 PHE A 31 -10.632 -16.263 -5.765 1.00 1.25 H new ATOM 0 HE1 PHE A 31 -7.187 -16.262 -2.254 1.00 2.43 H new ATOM 0 HE2 PHE A 31 -11.019 -15.042 -3.668 1.00 61.34 H new ATOM 0 HZ PHE A 31 -9.299 -15.044 -1.906 1.00 43.33 H new ATOM 187 N TRP A 32 -7.945 -18.529 -9.307 1.00 5.33 N ATOM 188 CA TRP A 32 -7.108 -19.031 -10.390 1.00 64.15 C ATOM 189 C TRP A 32 -7.189 -18.118 -11.609 1.00 60.51 C ATOM 190 O TRP A 32 -6.168 -17.741 -12.183 1.00 24.43 O ATOM 191 CB TRP A 32 -7.530 -20.451 -10.772 1.00 44.11 C ATOM 192 CG TRP A 32 -6.546 -21.142 -11.667 1.00 75.45 C ATOM 193 CD1 TRP A 32 -5.386 -21.756 -11.291 1.00 43.32 C ATOM 194 CD2 TRP A 32 -6.638 -21.289 -13.089 1.00 3.02 C ATOM 195 NE1 TRP A 32 -4.750 -22.275 -12.393 1.00 42.22 N ATOM 196 CE2 TRP A 32 -5.498 -22.003 -13.508 1.00 2.31 C ATOM 197 CE3 TRP A 32 -7.572 -20.889 -14.048 1.00 0.12 C ATOM 198 CZ2 TRP A 32 -5.269 -22.322 -14.844 1.00 14.13 C ATOM 199 CZ3 TRP A 32 -7.344 -21.206 -15.373 1.00 64.12 C ATOM 200 CH2 TRP A 32 -6.200 -21.918 -15.761 1.00 55.54 C ATOM 0 H TRP A 32 -8.594 -19.216 -8.922 1.00 5.33 H new ATOM 0 HA TRP A 32 -6.076 -19.048 -10.040 1.00 64.15 H new ATOM 0 HB2 TRP A 32 -7.661 -21.040 -9.864 1.00 44.11 H new ATOM 0 HB3 TRP A 32 -8.499 -20.413 -11.270 1.00 44.11 H new ATOM 0 HD1 TRP A 32 -5.022 -21.824 -10.277 1.00 43.32 H new ATOM 0 HE1 TRP A 32 -3.864 -22.781 -12.383 1.00 42.22 H new ATOM 0 HE3 TRP A 32 -8.457 -20.342 -13.758 1.00 0.12 H new ATOM 0 HZ2 TRP A 32 -4.388 -22.869 -15.145 1.00 14.13 H new ATOM 0 HZ3 TRP A 32 -8.059 -20.900 -16.123 1.00 64.12 H new ATOM 0 HH2 TRP A 32 -6.051 -22.152 -16.805 1.00 55.54 H new ATOM 211 N ALA A 33 -8.410 -17.767 -11.999 1.00 42.32 N ATOM 212 CA ALA A 33 -8.623 -16.896 -13.149 1.00 33.24 C ATOM 213 C ALA A 33 -7.859 -15.585 -12.994 1.00 34.51 C ATOM 214 O ALA A 33 -7.055 -15.220 -13.852 1.00 31.12 O ATOM 215 CB ALA A 33 -10.109 -16.625 -13.336 1.00 45.34 C ATOM 0 H ALA A 33 -9.266 -18.072 -11.536 1.00 42.32 H new ATOM 0 HA ALA A 33 -8.243 -17.404 -14.035 1.00 33.24 H new ATOM 0 HB1 ALA A 33 -10.254 -15.974 -14.198 1.00 45.34 H new ATOM 0 HB2 ALA A 33 -10.633 -17.567 -13.500 1.00 45.34 H new ATOM 0 HB3 ALA A 33 -10.506 -16.140 -12.444 1.00 45.34 H new ATOM 221 N ILE A 34 -8.116 -14.882 -11.896 1.00 75.22 N ATOM 222 CA ILE A 34 -7.452 -13.612 -11.630 1.00 73.41 C ATOM 223 C ILE A 34 -5.936 -13.765 -11.677 1.00 3.21 C ATOM 224 O ILE A 34 -5.226 -12.870 -12.135 1.00 23.12 O ATOM 225 CB ILE A 34 -7.858 -13.042 -10.258 1.00 45.32 C ATOM 226 CG1 ILE A 34 -9.373 -12.845 -10.191 1.00 54.30 C ATOM 227 CG2 ILE A 34 -7.135 -11.729 -9.996 1.00 52.44 C ATOM 228 CD1 ILE A 34 -9.904 -12.717 -8.780 1.00 72.23 C ATOM 0 H ILE A 34 -8.779 -15.170 -11.177 1.00 75.22 H new ATOM 0 HA ILE A 34 -7.769 -12.920 -12.410 1.00 73.41 H new ATOM 0 HB ILE A 34 -7.569 -13.754 -9.485 1.00 45.32 H new ATOM 0 HG12 ILE A 34 -9.640 -11.950 -10.754 1.00 54.30 H new ATOM 0 HG13 ILE A 34 -9.863 -13.687 -10.680 1.00 54.30 H new ATOM 0 HG21 ILE A 34 -7.432 -11.338 -9.023 1.00 52.44 H new ATOM 0 HG22 ILE A 34 -6.058 -11.898 -10.006 1.00 52.44 H new ATOM 0 HG23 ILE A 34 -7.396 -11.009 -10.771 1.00 52.44 H new ATOM 0 HD11 ILE A 34 -10.985 -12.580 -8.809 1.00 72.23 H new ATOM 0 HD12 ILE A 34 -9.668 -13.621 -8.219 1.00 72.23 H new ATOM 0 HD13 ILE A 34 -9.442 -11.858 -8.294 1.00 72.23 H new ATOM 240 N ALA A 35 -5.446 -14.905 -11.201 1.00 72.24 N ATOM 241 CA ALA A 35 -4.014 -15.177 -11.192 1.00 52.04 C ATOM 242 C ALA A 35 -3.457 -15.231 -12.611 1.00 2.32 C ATOM 243 O ALA A 35 -2.580 -14.446 -12.972 1.00 73.24 O ATOM 244 CB ALA A 35 -3.729 -16.481 -10.461 1.00 50.54 C ATOM 0 H ALA A 35 -6.020 -15.655 -10.816 1.00 72.24 H new ATOM 0 HA ALA A 35 -3.517 -14.362 -10.665 1.00 52.04 H new ATOM 0 HB1 ALA A 35 -2.656 -16.672 -10.462 1.00 50.54 H new ATOM 0 HB2 ALA A 35 -4.083 -16.407 -9.433 1.00 50.54 H new ATOM 0 HB3 ALA A 35 -4.243 -17.300 -10.964 1.00 50.54 H new ATOM 250 N GLN A 36 -3.970 -16.161 -13.409 1.00 34.33 N ATOM 251 CA GLN A 36 -3.522 -16.317 -14.787 1.00 62.32 C ATOM 252 C GLN A 36 -3.789 -15.051 -15.593 1.00 52.53 C ATOM 253 O GLN A 36 -3.089 -14.761 -16.564 1.00 21.23 O ATOM 254 CB GLN A 36 -4.222 -17.510 -15.442 1.00 5.33 C ATOM 255 CG GLN A 36 -4.104 -18.798 -14.643 1.00 10.42 C ATOM 256 CD GLN A 36 -2.672 -19.123 -14.267 1.00 42.31 C ATOM 257 OE1 GLN A 36 -1.761 -19.007 -15.088 1.00 20.13 O ATOM 258 NE2 GLN A 36 -2.465 -19.532 -13.021 1.00 3.01 N ATOM 0 H GLN A 36 -4.697 -16.818 -13.125 1.00 34.33 H new ATOM 0 HA GLN A 36 -2.447 -16.498 -14.774 1.00 62.32 H new ATOM 0 HB2 GLN A 36 -5.277 -17.272 -15.578 1.00 5.33 H new ATOM 0 HB3 GLN A 36 -3.800 -17.668 -16.435 1.00 5.33 H new ATOM 0 HG2 GLN A 36 -4.704 -18.715 -13.737 1.00 10.42 H new ATOM 0 HG3 GLN A 36 -4.518 -19.621 -15.225 1.00 10.42 H new ATOM 0 HE21 GLN A 36 -3.249 -19.614 -12.374 1.00 3.01 H new ATOM 0 HE22 GLN A 36 -1.522 -19.765 -12.711 1.00 3.01 H new ATOM 267 N ARG A 37 -4.807 -14.299 -15.185 1.00 64.12 N ATOM 268 CA ARG A 37 -5.167 -13.064 -15.871 1.00 34.03 C ATOM 269 C ARG A 37 -4.160 -11.959 -15.566 1.00 71.01 C ATOM 270 O ARG A 37 -3.412 -11.528 -16.444 1.00 13.11 O ATOM 271 CB ARG A 37 -6.571 -12.618 -15.457 1.00 41.53 C ATOM 272 CG ARG A 37 -7.200 -11.621 -16.417 1.00 75.21 C ATOM 273 CD ARG A 37 -6.876 -10.188 -16.025 1.00 22.32 C ATOM 274 NE ARG A 37 -6.843 -9.298 -17.182 1.00 63.11 N ATOM 275 CZ ARG A 37 -7.932 -8.851 -17.796 1.00 51.45 C ATOM 276 NH1 ARG A 37 -9.134 -9.208 -17.366 1.00 71.10 N ATOM 277 NH2 ARG A 37 -7.820 -8.043 -18.844 1.00 34.25 N ATOM 0 H ARG A 37 -5.396 -14.524 -14.383 1.00 64.12 H new ATOM 0 HA ARG A 37 -5.155 -13.256 -16.944 1.00 34.03 H new ATOM 0 HB2 ARG A 37 -7.215 -13.495 -15.383 1.00 41.53 H new ATOM 0 HB3 ARG A 37 -6.524 -12.173 -14.463 1.00 41.53 H new ATOM 0 HG2 ARG A 37 -6.841 -11.812 -17.428 1.00 75.21 H new ATOM 0 HG3 ARG A 37 -8.281 -11.760 -16.431 1.00 75.21 H new ATOM 0 HD2 ARG A 37 -7.620 -9.830 -15.313 1.00 22.32 H new ATOM 0 HD3 ARG A 37 -5.911 -10.160 -15.519 1.00 22.32 H new ATOM 0 HE ARG A 37 -5.934 -9.004 -17.538 1.00 63.11 H new ATOM 0 HH11 ARG A 37 -9.224 -9.828 -16.561 1.00 71.10 H new ATOM 0 HH12 ARG A 37 -9.969 -8.863 -17.840 1.00 71.10 H new ATOM 0 HH21 ARG A 37 -6.897 -7.765 -19.178 1.00 34.25 H new ATOM 0 HH22 ARG A 37 -8.657 -7.700 -19.315 1.00 34.25 H new ATOM 291 N ARG A 38 -4.147 -11.505 -14.317 1.00 73.01 N ATOM 292 CA ARG A 38 -3.234 -10.449 -13.897 1.00 64.33 C ATOM 293 C ARG A 38 -1.783 -10.864 -14.125 1.00 2.33 C ATOM 294 O ARG A 38 -0.905 -10.019 -14.299 1.00 74.32 O ATOM 295 CB ARG A 38 -3.454 -10.112 -12.421 1.00 64.34 C ATOM 296 CG ARG A 38 -4.850 -9.596 -12.116 1.00 73.11 C ATOM 297 CD ARG A 38 -4.998 -8.131 -12.495 1.00 3.21 C ATOM 298 NE ARG A 38 -4.077 -7.277 -11.749 1.00 32.24 N ATOM 299 CZ ARG A 38 -3.728 -6.056 -12.138 1.00 23.21 C ATOM 300 NH1 ARG A 38 -4.220 -5.548 -13.259 1.00 61.13 N ATOM 301 NH2 ARG A 38 -2.885 -5.341 -11.405 1.00 4.44 N ATOM 0 H ARG A 38 -4.759 -11.852 -13.578 1.00 73.01 H new ATOM 0 HA ARG A 38 -3.440 -9.564 -14.499 1.00 64.33 H new ATOM 0 HB2 ARG A 38 -3.266 -11.003 -11.822 1.00 64.34 H new ATOM 0 HB3 ARG A 38 -2.724 -9.363 -12.115 1.00 64.34 H new ATOM 0 HG2 ARG A 38 -5.585 -10.190 -12.660 1.00 73.11 H new ATOM 0 HG3 ARG A 38 -5.061 -9.721 -11.054 1.00 73.11 H new ATOM 0 HD2 ARG A 38 -4.817 -8.013 -13.563 1.00 3.21 H new ATOM 0 HD3 ARG A 38 -6.023 -7.810 -12.308 1.00 3.21 H new ATOM 0 HE ARG A 38 -3.680 -7.638 -10.882 1.00 32.24 H new ATOM 0 HH11 ARG A 38 -4.868 -6.095 -13.825 1.00 61.13 H new ATOM 0 HH12 ARG A 38 -3.950 -4.610 -13.555 1.00 61.13 H new ATOM 0 HH21 ARG A 38 -2.504 -5.729 -10.542 1.00 4.44 H new ATOM 0 HH22 ARG A 38 -2.617 -4.403 -11.704 1.00 4.44 H new ATOM 315 N GLY A 39 -1.538 -12.171 -14.121 1.00 13.24 N ATOM 316 CA GLY A 39 -0.193 -12.674 -14.327 1.00 21.43 C ATOM 317 C GLY A 39 0.497 -13.035 -13.026 1.00 12.31 C ATOM 318 O GLY A 39 1.725 -13.091 -12.960 1.00 23.22 O ATOM 0 H GLY A 39 -2.247 -12.890 -13.979 1.00 13.24 H new ATOM 0 HA2 GLY A 39 -0.232 -13.553 -14.970 1.00 21.43 H new ATOM 0 HA3 GLY A 39 0.397 -11.922 -14.851 1.00 21.43 H new ATOM 322 N THR A 40 -0.295 -13.278 -11.986 1.00 24.13 N ATOM 323 CA THR A 40 0.247 -13.632 -10.680 1.00 12.24 C ATOM 324 C THR A 40 -0.182 -15.036 -10.269 1.00 2.23 C ATOM 325 O THR A 40 -0.985 -15.676 -10.949 1.00 10.45 O ATOM 326 CB THR A 40 -0.202 -12.633 -9.596 1.00 44.23 C ATOM 327 OG1 THR A 40 0.512 -12.877 -8.379 1.00 60.11 O ATOM 328 CG2 THR A 40 -1.698 -12.743 -9.344 1.00 64.50 C ATOM 0 H THR A 40 -1.313 -13.236 -12.023 1.00 24.13 H new ATOM 0 HA THR A 40 1.333 -13.598 -10.769 1.00 12.24 H new ATOM 0 HB THR A 40 0.017 -11.625 -9.949 1.00 44.23 H new ATOM 0 HG1 THR A 40 -0.122 -12.935 -7.634 1.00 60.11 H new ATOM 0 HG21 THR A 40 -1.991 -12.028 -8.575 1.00 64.50 H new ATOM 0 HG22 THR A 40 -2.239 -12.527 -10.265 1.00 64.50 H new ATOM 0 HG23 THR A 40 -1.938 -13.753 -9.011 1.00 64.50 H new ATOM 336 N THR A 41 0.359 -15.511 -9.151 1.00 35.22 N ATOM 337 CA THR A 41 0.032 -16.840 -8.649 1.00 63.23 C ATOM 338 C THR A 41 -0.992 -16.766 -7.522 1.00 64.53 C ATOM 339 O THR A 41 -0.958 -15.852 -6.699 1.00 35.13 O ATOM 340 CB THR A 41 1.288 -17.572 -8.140 1.00 20.24 C ATOM 341 OG1 THR A 41 1.920 -16.802 -7.111 1.00 64.21 O ATOM 342 CG2 THR A 41 2.271 -17.815 -9.275 1.00 31.30 C ATOM 0 H THR A 41 1.025 -14.995 -8.576 1.00 35.22 H new ATOM 0 HA THR A 41 -0.392 -17.398 -9.484 1.00 63.23 H new ATOM 0 HB THR A 41 0.980 -18.536 -7.735 1.00 20.24 H new ATOM 0 HG1 THR A 41 2.629 -17.334 -6.693 1.00 64.21 H new ATOM 0 HG21 THR A 41 3.150 -18.333 -8.891 1.00 31.30 H new ATOM 0 HG22 THR A 41 1.796 -18.426 -10.043 1.00 31.30 H new ATOM 0 HG23 THR A 41 2.572 -16.860 -9.706 1.00 31.30 H new ATOM 350 N VAL A 42 -1.901 -17.736 -7.491 1.00 10.51 N ATOM 351 CA VAL A 42 -2.934 -17.781 -6.463 1.00 71.31 C ATOM 352 C VAL A 42 -2.327 -17.675 -5.069 1.00 31.24 C ATOM 353 O VAL A 42 -2.890 -17.032 -4.183 1.00 33.35 O ATOM 354 CB VAL A 42 -3.760 -19.078 -6.554 1.00 64.54 C ATOM 355 CG1 VAL A 42 -2.851 -20.296 -6.476 1.00 73.25 C ATOM 356 CG2 VAL A 42 -4.813 -19.118 -5.457 1.00 42.45 C ATOM 0 H VAL A 42 -1.943 -18.500 -8.165 1.00 10.51 H new ATOM 0 HA VAL A 42 -3.590 -16.928 -6.636 1.00 71.31 H new ATOM 0 HB VAL A 42 -4.271 -19.096 -7.517 1.00 64.54 H new ATOM 0 HG11 VAL A 42 -3.452 -21.203 -6.542 1.00 73.25 H new ATOM 0 HG12 VAL A 42 -2.139 -20.272 -7.301 1.00 73.25 H new ATOM 0 HG13 VAL A 42 -2.311 -20.287 -5.529 1.00 73.25 H new ATOM 0 HG21 VAL A 42 -5.387 -20.041 -5.537 1.00 42.45 H new ATOM 0 HG22 VAL A 42 -4.325 -19.077 -4.483 1.00 42.45 H new ATOM 0 HG23 VAL A 42 -5.482 -18.264 -5.564 1.00 42.45 H new ATOM 366 N ASP A 43 -1.175 -18.310 -4.881 1.00 51.42 N ATOM 367 CA ASP A 43 -0.490 -18.286 -3.594 1.00 44.43 C ATOM 368 C ASP A 43 -0.231 -16.852 -3.143 1.00 13.52 C ATOM 369 O ASP A 43 -0.463 -16.503 -1.985 1.00 51.32 O ATOM 370 CB ASP A 43 0.831 -19.052 -3.682 1.00 3.34 C ATOM 371 CG ASP A 43 1.421 -19.346 -2.316 1.00 42.14 C ATOM 372 OD1 ASP A 43 2.441 -18.718 -1.962 1.00 41.35 O ATOM 373 OD2 ASP A 43 0.863 -20.204 -1.602 1.00 14.35 O ATOM 0 H ASP A 43 -0.696 -18.848 -5.604 1.00 51.42 H new ATOM 0 HA ASP A 43 -1.133 -18.769 -2.858 1.00 44.43 H new ATOM 0 HB2 ASP A 43 0.670 -19.989 -4.214 1.00 3.34 H new ATOM 0 HB3 ASP A 43 1.546 -18.472 -4.266 1.00 3.34 H new ATOM 378 N VAL A 44 0.251 -16.024 -4.065 1.00 23.14 N ATOM 379 CA VAL A 44 0.541 -14.628 -3.762 1.00 4.33 C ATOM 380 C VAL A 44 -0.743 -13.827 -3.577 1.00 61.12 C ATOM 381 O VAL A 44 -0.850 -13.008 -2.664 1.00 45.33 O ATOM 382 CB VAL A 44 1.385 -13.976 -4.874 1.00 14.34 C ATOM 383 CG1 VAL A 44 1.658 -12.515 -4.550 1.00 13.22 C ATOM 384 CG2 VAL A 44 2.686 -14.739 -5.072 1.00 14.32 C ATOM 0 H VAL A 44 0.449 -16.296 -5.028 1.00 23.14 H new ATOM 0 HA VAL A 44 1.109 -14.617 -2.832 1.00 4.33 H new ATOM 0 HB VAL A 44 0.821 -14.017 -5.806 1.00 14.34 H new ATOM 0 HG11 VAL A 44 2.255 -12.071 -5.346 1.00 13.22 H new ATOM 0 HG12 VAL A 44 0.713 -11.979 -4.463 1.00 13.22 H new ATOM 0 HG13 VAL A 44 2.202 -12.447 -3.608 1.00 13.22 H new ATOM 0 HG21 VAL A 44 3.270 -14.265 -5.861 1.00 14.32 H new ATOM 0 HG22 VAL A 44 3.257 -14.731 -4.144 1.00 14.32 H new ATOM 0 HG23 VAL A 44 2.465 -15.769 -5.353 1.00 14.32 H new ATOM 394 N ILE A 45 -1.715 -14.070 -4.449 1.00 74.23 N ATOM 395 CA ILE A 45 -2.994 -13.373 -4.381 1.00 44.24 C ATOM 396 C ILE A 45 -3.617 -13.501 -2.995 1.00 44.34 C ATOM 397 O ILE A 45 -4.052 -12.512 -2.407 1.00 52.50 O ATOM 398 CB ILE A 45 -3.985 -13.912 -5.429 1.00 52.44 C ATOM 399 CG1 ILE A 45 -3.403 -13.765 -6.837 1.00 31.42 C ATOM 400 CG2 ILE A 45 -5.316 -13.183 -5.323 1.00 15.04 C ATOM 401 CD1 ILE A 45 -4.081 -14.643 -7.865 1.00 71.23 C ATOM 0 H ILE A 45 -1.642 -14.744 -5.211 1.00 74.23 H new ATOM 0 HA ILE A 45 -2.792 -12.322 -4.590 1.00 44.24 H new ATOM 0 HB ILE A 45 -4.155 -14.971 -5.235 1.00 52.44 H new ATOM 0 HG12 ILE A 45 -3.486 -12.724 -7.149 1.00 31.42 H new ATOM 0 HG13 ILE A 45 -2.340 -14.006 -6.809 1.00 31.42 H new ATOM 0 HG21 ILE A 45 -6.006 -13.575 -6.070 1.00 15.04 H new ATOM 0 HG22 ILE A 45 -5.735 -13.333 -4.328 1.00 15.04 H new ATOM 0 HG23 ILE A 45 -5.162 -12.118 -5.495 1.00 15.04 H new ATOM 0 HD11 ILE A 45 -3.618 -14.487 -8.839 1.00 71.23 H new ATOM 0 HD12 ILE A 45 -3.976 -15.689 -7.576 1.00 71.23 H new ATOM 0 HD13 ILE A 45 -5.139 -14.387 -7.921 1.00 71.23 H new ATOM 413 N GLN A 46 -3.653 -14.725 -2.480 1.00 34.21 N ATOM 414 CA GLN A 46 -4.222 -14.982 -1.162 1.00 51.10 C ATOM 415 C GLN A 46 -3.277 -14.513 -0.061 1.00 21.44 C ATOM 416 O GLN A 46 -3.708 -13.934 0.936 1.00 32.22 O ATOM 417 CB GLN A 46 -4.521 -16.473 -0.994 1.00 12.51 C ATOM 418 CG GLN A 46 -5.052 -16.835 0.384 1.00 40.03 C ATOM 419 CD GLN A 46 -5.262 -18.327 0.554 1.00 14.42 C ATOM 420 OE1 GLN A 46 -4.742 -18.936 1.489 1.00 1.22 O ATOM 421 NE2 GLN A 46 -6.029 -18.924 -0.351 1.00 0.22 N ATOM 0 H GLN A 46 -3.295 -15.554 -2.954 1.00 34.21 H new ATOM 0 HA GLN A 46 -5.153 -14.421 -1.080 1.00 51.10 H new ATOM 0 HB2 GLN A 46 -5.249 -16.776 -1.746 1.00 12.51 H new ATOM 0 HB3 GLN A 46 -3.611 -17.041 -1.184 1.00 12.51 H new ATOM 0 HG2 GLN A 46 -4.354 -16.481 1.143 1.00 40.03 H new ATOM 0 HG3 GLN A 46 -5.996 -16.317 0.553 1.00 40.03 H new ATOM 0 HE21 GLN A 46 -6.440 -18.380 -1.110 1.00 0.22 H new ATOM 0 HE22 GLN A 46 -6.207 -19.926 -0.287 1.00 0.22 H new ATOM 430 N SER A 47 -1.986 -14.768 -0.247 1.00 62.54 N ATOM 431 CA SER A 47 -0.980 -14.377 0.733 1.00 44.45 C ATOM 432 C SER A 47 -1.079 -12.887 1.047 1.00 32.15 C ATOM 433 O SER A 47 -0.883 -12.467 2.189 1.00 65.23 O ATOM 434 CB SER A 47 0.422 -14.708 0.216 1.00 11.41 C ATOM 435 OG SER A 47 1.418 -14.095 1.017 1.00 62.54 O ATOM 0 H SER A 47 -1.612 -15.244 -1.068 1.00 62.54 H new ATOM 0 HA SER A 47 -1.164 -14.938 1.650 1.00 44.45 H new ATOM 0 HB2 SER A 47 0.567 -15.788 0.214 1.00 11.41 H new ATOM 0 HB3 SER A 47 0.522 -14.371 -0.816 1.00 11.41 H new ATOM 0 HG SER A 47 2.305 -14.323 0.667 1.00 62.54 H new ATOM 441 N LEU A 48 -1.386 -12.093 0.028 1.00 41.31 N ATOM 442 CA LEU A 48 -1.512 -10.649 0.194 1.00 12.10 C ATOM 443 C LEU A 48 -2.779 -10.299 0.968 1.00 52.53 C ATOM 444 O LEU A 48 -2.860 -9.248 1.602 1.00 10.32 O ATOM 445 CB LEU A 48 -1.527 -9.958 -1.171 1.00 2.03 C ATOM 446 CG LEU A 48 -0.168 -9.513 -1.712 1.00 41.41 C ATOM 447 CD1 LEU A 48 -0.289 -9.074 -3.163 1.00 52.12 C ATOM 448 CD2 LEU A 48 0.404 -8.389 -0.859 1.00 72.34 C ATOM 0 H LEU A 48 -1.552 -12.424 -0.922 1.00 41.31 H new ATOM 0 HA LEU A 48 -0.652 -10.297 0.763 1.00 12.10 H new ATOM 0 HB2 LEU A 48 -1.979 -10.636 -1.894 1.00 2.03 H new ATOM 0 HB3 LEU A 48 -2.174 -9.083 -1.106 1.00 2.03 H new ATOM 0 HG LEU A 48 0.515 -10.361 -1.666 1.00 41.41 H new ATOM 0 HD11 LEU A 48 0.688 -8.761 -3.531 1.00 52.12 H new ATOM 0 HD12 LEU A 48 -0.654 -9.906 -3.766 1.00 52.12 H new ATOM 0 HD13 LEU A 48 -0.988 -8.240 -3.234 1.00 52.12 H new ATOM 0 HD21 LEU A 48 1.371 -8.085 -1.259 1.00 72.34 H new ATOM 0 HD22 LEU A 48 -0.278 -7.539 -0.873 1.00 72.34 H new ATOM 0 HD23 LEU A 48 0.528 -8.738 0.166 1.00 72.34 H new ATOM 460 N ASN A 49 -3.766 -11.188 0.912 1.00 45.45 N ATOM 461 CA ASN A 49 -5.029 -10.973 1.609 1.00 65.05 C ATOM 462 C ASN A 49 -5.504 -12.257 2.281 1.00 61.42 C ATOM 463 O ASN A 49 -6.448 -12.909 1.834 1.00 53.31 O ATOM 464 CB ASN A 49 -6.094 -10.470 0.633 1.00 74.22 C ATOM 465 CG ASN A 49 -5.544 -9.457 -0.352 1.00 75.04 C ATOM 466 OD1 ASN A 49 -5.660 -8.249 -0.147 1.00 0.32 O ATOM 467 ND2 ASN A 49 -4.942 -9.946 -1.430 1.00 75.42 N ATOM 0 H ASN A 49 -3.715 -12.064 0.391 1.00 45.45 H new ATOM 0 HA ASN A 49 -4.867 -10.219 2.380 1.00 65.05 H new ATOM 0 HB2 ASN A 49 -6.510 -11.316 0.086 1.00 74.22 H new ATOM 0 HB3 ASN A 49 -6.913 -10.020 1.194 1.00 74.22 H new ATOM 0 HD21 ASN A 49 -4.553 -9.313 -2.129 1.00 75.42 H new ATOM 0 HD22 ASN A 49 -4.868 -10.955 -1.559 1.00 75.42 H new ATOM 474 N PRO A 50 -4.835 -12.631 3.382 1.00 71.53 N ATOM 475 CA PRO A 50 -5.172 -13.840 4.140 1.00 1.22 C ATOM 476 C PRO A 50 -6.503 -13.712 4.873 1.00 21.02 C ATOM 477 O PRO A 50 -7.084 -14.707 5.304 1.00 64.41 O ATOM 478 CB PRO A 50 -4.020 -13.963 5.141 1.00 71.12 C ATOM 479 CG PRO A 50 -3.510 -12.573 5.304 1.00 23.01 C ATOM 480 CD PRO A 50 -3.699 -11.903 3.971 1.00 31.22 C ATOM 0 HA PRO A 50 -5.287 -14.709 3.492 1.00 1.22 H new ATOM 0 HB2 PRO A 50 -4.363 -14.373 6.091 1.00 71.12 H new ATOM 0 HB3 PRO A 50 -3.242 -14.629 4.769 1.00 71.12 H new ATOM 0 HG2 PRO A 50 -4.056 -12.046 6.086 1.00 23.01 H new ATOM 0 HG3 PRO A 50 -2.459 -12.574 5.594 1.00 23.01 H new ATOM 0 HD2 PRO A 50 -3.917 -10.841 4.082 1.00 31.22 H new ATOM 0 HD3 PRO A 50 -2.806 -11.982 3.351 1.00 31.22 H new ATOM 488 N GLY A 51 -6.982 -12.479 5.011 1.00 24.21 N ATOM 489 CA GLY A 51 -8.241 -12.244 5.692 1.00 33.44 C ATOM 490 C GLY A 51 -9.413 -12.897 4.986 1.00 40.33 C ATOM 491 O GLY A 51 -10.464 -13.119 5.586 1.00 14.35 O ATOM 0 H GLY A 51 -6.520 -11.639 4.663 1.00 24.21 H new ATOM 0 HA2 GLY A 51 -8.176 -12.626 6.711 1.00 33.44 H new ATOM 0 HA3 GLY A 51 -8.417 -11.171 5.764 1.00 33.44 H new ATOM 495 N VAL A 52 -9.233 -13.204 3.705 1.00 53.31 N ATOM 496 CA VAL A 52 -10.284 -13.834 2.915 1.00 14.20 C ATOM 497 C VAL A 52 -10.033 -15.329 2.760 1.00 71.54 C ATOM 498 O VAL A 52 -8.887 -15.775 2.703 1.00 2.05 O ATOM 499 CB VAL A 52 -10.396 -13.195 1.518 1.00 61.21 C ATOM 500 CG1 VAL A 52 -9.098 -13.373 0.744 1.00 13.23 C ATOM 501 CG2 VAL A 52 -11.568 -13.790 0.753 1.00 72.34 C ATOM 0 H VAL A 52 -8.369 -13.027 3.192 1.00 53.31 H new ATOM 0 HA VAL A 52 -11.220 -13.680 3.452 1.00 14.20 H new ATOM 0 HB VAL A 52 -10.575 -12.127 1.639 1.00 61.21 H new ATOM 0 HG11 VAL A 52 -9.196 -12.915 -0.240 1.00 13.23 H new ATOM 0 HG12 VAL A 52 -8.282 -12.895 1.287 1.00 13.23 H new ATOM 0 HG13 VAL A 52 -8.885 -14.436 0.630 1.00 13.23 H new ATOM 0 HG21 VAL A 52 -11.632 -13.327 -0.232 1.00 72.34 H new ATOM 0 HG22 VAL A 52 -11.421 -14.864 0.640 1.00 72.34 H new ATOM 0 HG23 VAL A 52 -12.492 -13.606 1.302 1.00 72.34 H new ATOM 511 N VAL A 53 -11.113 -16.101 2.690 1.00 71.31 N ATOM 512 CA VAL A 53 -11.011 -17.548 2.539 1.00 5.11 C ATOM 513 C VAL A 53 -11.882 -18.044 1.390 1.00 3.24 C ATOM 514 O VAL A 53 -12.859 -17.405 0.999 1.00 20.42 O ATOM 515 CB VAL A 53 -11.421 -18.278 3.832 1.00 3.50 C ATOM 516 CG1 VAL A 53 -10.301 -18.214 4.859 1.00 21.04 C ATOM 517 CG2 VAL A 53 -12.705 -17.685 4.393 1.00 25.02 C ATOM 0 H VAL A 53 -12.069 -15.748 2.735 1.00 71.31 H new ATOM 0 HA VAL A 53 -9.966 -17.770 2.321 1.00 5.11 H new ATOM 0 HB VAL A 53 -11.605 -19.326 3.595 1.00 3.50 H new ATOM 0 HG11 VAL A 53 -10.609 -18.735 5.766 1.00 21.04 H new ATOM 0 HG12 VAL A 53 -9.408 -18.689 4.453 1.00 21.04 H new ATOM 0 HG13 VAL A 53 -10.083 -17.172 5.095 1.00 21.04 H new ATOM 0 HG21 VAL A 53 -12.981 -18.212 5.306 1.00 25.02 H new ATOM 0 HG22 VAL A 53 -12.551 -16.629 4.616 1.00 25.02 H new ATOM 0 HG23 VAL A 53 -13.504 -17.788 3.659 1.00 25.02 H new ATOM 527 N PRO A 54 -11.521 -19.211 0.836 1.00 54.33 N ATOM 528 CA PRO A 54 -12.258 -19.820 -0.276 1.00 2.50 C ATOM 529 C PRO A 54 -13.629 -20.333 0.149 1.00 12.13 C ATOM 530 O PRO A 54 -14.558 -20.395 -0.657 1.00 34.04 O ATOM 531 CB PRO A 54 -11.359 -20.984 -0.701 1.00 54.44 C ATOM 532 CG PRO A 54 -10.575 -21.323 0.519 1.00 14.42 C ATOM 533 CD PRO A 54 -10.368 -20.026 1.251 1.00 4.24 C ATOM 0 HA PRO A 54 -12.458 -19.104 -1.073 1.00 2.50 H new ATOM 0 HB2 PRO A 54 -11.948 -21.835 -1.042 1.00 54.44 H new ATOM 0 HB3 PRO A 54 -10.705 -20.699 -1.525 1.00 54.44 H new ATOM 0 HG2 PRO A 54 -11.111 -22.041 1.140 1.00 14.42 H new ATOM 0 HG3 PRO A 54 -9.621 -21.779 0.256 1.00 14.42 H new ATOM 0 HD2 PRO A 54 -10.348 -20.173 2.331 1.00 4.24 H new ATOM 0 HD3 PRO A 54 -9.424 -19.556 0.976 1.00 4.24 H new ATOM 541 N THR A 55 -13.750 -20.700 1.421 1.00 33.23 N ATOM 542 CA THR A 55 -15.008 -21.209 1.954 1.00 51.15 C ATOM 543 C THR A 55 -16.006 -20.079 2.180 1.00 32.22 C ATOM 544 O THR A 55 -17.218 -20.297 2.170 1.00 23.44 O ATOM 545 CB THR A 55 -14.793 -21.963 3.280 1.00 51.44 C ATOM 546 OG1 THR A 55 -13.522 -22.622 3.268 1.00 74.54 O ATOM 547 CG2 THR A 55 -15.898 -22.983 3.507 1.00 31.14 C ATOM 0 H THR A 55 -12.992 -20.654 2.102 1.00 33.23 H new ATOM 0 HA THR A 55 -15.408 -21.901 1.213 1.00 51.15 H new ATOM 0 HB THR A 55 -14.817 -21.238 4.094 1.00 51.44 H new ATOM 0 HG1 THR A 55 -13.392 -23.098 4.115 1.00 74.54 H new ATOM 0 HG21 THR A 55 -15.725 -23.503 4.449 1.00 31.14 H new ATOM 0 HG22 THR A 55 -16.861 -22.474 3.545 1.00 31.14 H new ATOM 0 HG23 THR A 55 -15.901 -23.704 2.690 1.00 31.14 H new ATOM 555 N ARG A 56 -15.490 -18.872 2.384 1.00 42.34 N ATOM 556 CA ARG A 56 -16.337 -17.707 2.613 1.00 23.43 C ATOM 557 C ARG A 56 -16.078 -16.631 1.563 1.00 5.13 C ATOM 558 O ARG A 56 -15.892 -15.459 1.893 1.00 10.31 O ATOM 559 CB ARG A 56 -16.091 -17.140 4.012 1.00 13.35 C ATOM 560 CG ARG A 56 -16.036 -18.201 5.099 1.00 10.12 C ATOM 561 CD ARG A 56 -17.363 -18.933 5.232 1.00 44.55 C ATOM 562 NE ARG A 56 -18.383 -18.105 5.869 1.00 1.32 N ATOM 563 CZ ARG A 56 -18.420 -17.860 7.174 1.00 15.22 C ATOM 564 NH1 ARG A 56 -17.499 -18.376 7.976 1.00 72.12 N ATOM 565 NH2 ARG A 56 -19.381 -17.096 7.680 1.00 62.42 N ATOM 0 H ARG A 56 -14.489 -18.675 2.395 1.00 42.34 H new ATOM 0 HA ARG A 56 -17.377 -18.023 2.534 1.00 23.43 H new ATOM 0 HB2 ARG A 56 -15.153 -16.585 4.010 1.00 13.35 H new ATOM 0 HB3 ARG A 56 -16.882 -16.428 4.250 1.00 13.35 H new ATOM 0 HG2 ARG A 56 -15.246 -18.916 4.871 1.00 10.12 H new ATOM 0 HG3 ARG A 56 -15.779 -17.735 6.051 1.00 10.12 H new ATOM 0 HD2 ARG A 56 -17.709 -19.239 4.245 1.00 44.55 H new ATOM 0 HD3 ARG A 56 -17.218 -19.843 5.815 1.00 44.55 H new ATOM 0 HE ARG A 56 -19.106 -17.692 5.280 1.00 1.32 H new ATOM 0 HH11 ARG A 56 -16.759 -18.963 7.591 1.00 72.12 H new ATOM 0 HH12 ARG A 56 -17.530 -18.186 8.978 1.00 72.12 H new ATOM 0 HH21 ARG A 56 -20.091 -16.697 7.066 1.00 62.42 H new ATOM 0 HH22 ARG A 56 -19.409 -16.908 8.682 1.00 62.42 H new ATOM 579 N LEU A 57 -16.065 -17.036 0.298 1.00 35.54 N ATOM 580 CA LEU A 57 -15.829 -16.107 -0.801 1.00 25.12 C ATOM 581 C LEU A 57 -16.937 -15.062 -0.879 1.00 22.02 C ATOM 582 O LEU A 57 -18.079 -15.380 -1.207 1.00 55.54 O ATOM 583 CB LEU A 57 -15.734 -16.867 -2.125 1.00 42.53 C ATOM 584 CG LEU A 57 -15.039 -16.132 -3.272 1.00 50.42 C ATOM 585 CD1 LEU A 57 -13.549 -16.436 -3.276 1.00 70.02 C ATOM 586 CD2 LEU A 57 -15.666 -16.510 -4.606 1.00 32.31 C ATOM 0 H LEU A 57 -16.215 -18.002 0.008 1.00 35.54 H new ATOM 0 HA LEU A 57 -14.885 -15.594 -0.615 1.00 25.12 H new ATOM 0 HB2 LEU A 57 -15.205 -17.803 -1.946 1.00 42.53 H new ATOM 0 HB3 LEU A 57 -16.743 -17.127 -2.445 1.00 42.53 H new ATOM 0 HG LEU A 57 -15.170 -15.060 -3.123 1.00 50.42 H new ATOM 0 HD11 LEU A 57 -13.071 -15.904 -4.099 1.00 70.02 H new ATOM 0 HD12 LEU A 57 -13.109 -16.114 -2.332 1.00 70.02 H new ATOM 0 HD13 LEU A 57 -13.397 -17.508 -3.400 1.00 70.02 H new ATOM 0 HD21 LEU A 57 -15.159 -15.977 -5.410 1.00 32.31 H new ATOM 0 HD22 LEU A 57 -15.567 -17.584 -4.763 1.00 32.31 H new ATOM 0 HD23 LEU A 57 -16.722 -16.240 -4.601 1.00 32.31 H new ATOM 598 N GLN A 58 -16.590 -13.815 -0.577 1.00 23.24 N ATOM 599 CA GLN A 58 -17.555 -12.723 -0.614 1.00 75.42 C ATOM 600 C GLN A 58 -17.562 -12.049 -1.982 1.00 71.43 C ATOM 601 O GLN A 58 -16.583 -12.120 -2.725 1.00 51.04 O ATOM 602 CB GLN A 58 -17.237 -11.695 0.473 1.00 71.14 C ATOM 603 CG GLN A 58 -17.612 -12.154 1.873 1.00 43.13 C ATOM 604 CD GLN A 58 -19.082 -11.947 2.181 1.00 64.12 C ATOM 605 OE1 GLN A 58 -19.952 -12.333 1.400 1.00 62.12 O ATOM 606 NE2 GLN A 58 -19.367 -11.335 3.324 1.00 24.13 N ATOM 0 H GLN A 58 -15.648 -13.536 -0.304 1.00 23.24 H new ATOM 0 HA GLN A 58 -18.545 -13.141 -0.430 1.00 75.42 H new ATOM 0 HB2 GLN A 58 -16.171 -11.469 0.447 1.00 71.14 H new ATOM 0 HB3 GLN A 58 -17.765 -10.768 0.250 1.00 71.14 H new ATOM 0 HG2 GLN A 58 -17.367 -13.210 1.983 1.00 43.13 H new ATOM 0 HG3 GLN A 58 -17.012 -11.610 2.602 1.00 43.13 H new ATOM 0 HE21 GLN A 58 -18.614 -11.032 3.942 1.00 24.13 H new ATOM 0 HE22 GLN A 58 -20.339 -11.168 3.585 1.00 24.13 H new ATOM 615 N VAL A 59 -18.672 -11.396 -2.309 1.00 55.12 N ATOM 616 CA VAL A 59 -18.806 -10.708 -3.588 1.00 35.31 C ATOM 617 C VAL A 59 -18.859 -9.197 -3.396 1.00 43.32 C ATOM 618 O VAL A 59 -19.558 -8.696 -2.517 1.00 11.32 O ATOM 619 CB VAL A 59 -20.071 -11.163 -4.340 1.00 72.31 C ATOM 620 CG1 VAL A 59 -20.032 -12.663 -4.593 1.00 42.30 C ATOM 621 CG2 VAL A 59 -21.321 -10.778 -3.562 1.00 64.24 C ATOM 0 H VAL A 59 -19.492 -11.329 -1.706 1.00 55.12 H new ATOM 0 HA VAL A 59 -17.928 -10.966 -4.180 1.00 35.31 H new ATOM 0 HB VAL A 59 -20.101 -10.657 -5.305 1.00 72.31 H new ATOM 0 HG11 VAL A 59 -20.934 -12.966 -5.125 1.00 42.30 H new ATOM 0 HG12 VAL A 59 -19.156 -12.908 -5.194 1.00 42.30 H new ATOM 0 HG13 VAL A 59 -19.978 -13.191 -3.641 1.00 42.30 H new ATOM 0 HG21 VAL A 59 -22.205 -11.107 -4.108 1.00 64.24 H new ATOM 0 HG22 VAL A 59 -21.301 -11.255 -2.582 1.00 64.24 H new ATOM 0 HG23 VAL A 59 -21.353 -9.696 -3.438 1.00 64.24 H new ATOM 631 N GLY A 60 -18.113 -8.474 -4.227 1.00 32.01 N ATOM 632 CA GLY A 60 -18.089 -7.026 -4.133 1.00 21.12 C ATOM 633 C GLY A 60 -17.160 -6.531 -3.042 1.00 32.53 C ATOM 634 O GLY A 60 -17.529 -5.663 -2.252 1.00 5.41 O ATOM 0 H GLY A 60 -17.525 -8.865 -4.963 1.00 32.01 H new ATOM 0 HA2 GLY A 60 -17.776 -6.608 -5.090 1.00 21.12 H new ATOM 0 HA3 GLY A 60 -19.098 -6.661 -3.940 1.00 21.12 H new ATOM 638 N GLN A 61 -15.954 -7.087 -2.997 1.00 24.00 N ATOM 639 CA GLN A 61 -14.971 -6.698 -1.992 1.00 62.15 C ATOM 640 C GLN A 61 -13.615 -6.423 -2.635 1.00 32.40 C ATOM 641 O GLN A 61 -13.090 -7.251 -3.380 1.00 33.32 O ATOM 642 CB GLN A 61 -14.834 -7.792 -0.932 1.00 63.12 C ATOM 643 CG GLN A 61 -14.268 -7.293 0.387 1.00 1.14 C ATOM 644 CD GLN A 61 -14.185 -8.384 1.437 1.00 14.30 C ATOM 645 OE1 GLN A 61 -15.146 -8.633 2.166 1.00 23.33 O ATOM 646 NE2 GLN A 61 -13.034 -9.041 1.519 1.00 15.10 N ATOM 0 H GLN A 61 -15.634 -7.808 -3.644 1.00 24.00 H new ATOM 0 HA GLN A 61 -15.319 -5.782 -1.515 1.00 62.15 H new ATOM 0 HB2 GLN A 61 -15.813 -8.237 -0.753 1.00 63.12 H new ATOM 0 HB3 GLN A 61 -14.190 -8.582 -1.318 1.00 63.12 H new ATOM 0 HG2 GLN A 61 -13.273 -6.880 0.218 1.00 1.14 H new ATOM 0 HG3 GLN A 61 -14.891 -6.481 0.761 1.00 1.14 H new ATOM 0 HE21 GLN A 61 -12.264 -8.801 0.894 1.00 15.10 H new ATOM 0 HE22 GLN A 61 -12.920 -9.786 2.207 1.00 15.10 H new ATOM 655 N VAL A 62 -13.053 -5.255 -2.342 1.00 62.11 N ATOM 656 CA VAL A 62 -11.758 -4.871 -2.891 1.00 24.24 C ATOM 657 C VAL A 62 -10.617 -5.466 -2.073 1.00 65.22 C ATOM 658 O VAL A 62 -10.754 -5.695 -0.871 1.00 74.42 O ATOM 659 CB VAL A 62 -11.598 -3.340 -2.935 1.00 55.20 C ATOM 660 CG1 VAL A 62 -11.552 -2.767 -1.527 1.00 2.41 C ATOM 661 CG2 VAL A 62 -10.351 -2.957 -3.717 1.00 52.31 C ATOM 0 H VAL A 62 -13.474 -4.558 -1.728 1.00 62.11 H new ATOM 0 HA VAL A 62 -11.717 -5.262 -3.907 1.00 24.24 H new ATOM 0 HB VAL A 62 -12.463 -2.916 -3.445 1.00 55.20 H new ATOM 0 HG11 VAL A 62 -11.439 -1.684 -1.578 1.00 2.41 H new ATOM 0 HG12 VAL A 62 -12.477 -3.011 -1.005 1.00 2.41 H new ATOM 0 HG13 VAL A 62 -10.707 -3.195 -0.987 1.00 2.41 H new ATOM 0 HG21 VAL A 62 -10.254 -1.872 -3.738 1.00 52.31 H new ATOM 0 HG22 VAL A 62 -9.473 -3.391 -3.238 1.00 52.31 H new ATOM 0 HG23 VAL A 62 -10.431 -3.334 -4.737 1.00 52.31 H new ATOM 671 N ILE A 63 -9.490 -5.714 -2.733 1.00 0.41 N ATOM 672 CA ILE A 63 -8.324 -6.281 -2.067 1.00 10.43 C ATOM 673 C ILE A 63 -7.032 -5.818 -2.732 1.00 30.50 C ATOM 674 O ILE A 63 -7.056 -5.041 -3.685 1.00 75.54 O ATOM 675 CB ILE A 63 -8.367 -7.820 -2.069 1.00 74.13 C ATOM 676 CG1 ILE A 63 -8.443 -8.348 -3.504 1.00 11.54 C ATOM 677 CG2 ILE A 63 -9.551 -8.318 -1.253 1.00 3.01 C ATOM 678 CD1 ILE A 63 -7.947 -9.769 -3.652 1.00 4.32 C ATOM 0 H ILE A 63 -9.360 -5.531 -3.728 1.00 0.41 H new ATOM 0 HA ILE A 63 -8.346 -5.927 -1.036 1.00 10.43 H new ATOM 0 HB ILE A 63 -7.452 -8.195 -1.611 1.00 74.13 H new ATOM 0 HG12 ILE A 63 -9.476 -8.295 -3.848 1.00 11.54 H new ATOM 0 HG13 ILE A 63 -7.857 -7.698 -4.153 1.00 11.54 H new ATOM 0 HG21 ILE A 63 -9.568 -9.408 -1.264 1.00 3.01 H new ATOM 0 HG22 ILE A 63 -9.458 -7.967 -0.225 1.00 3.01 H new ATOM 0 HG23 ILE A 63 -10.476 -7.937 -1.684 1.00 3.01 H new ATOM 0 HD11 ILE A 63 -8.030 -10.077 -4.694 1.00 4.32 H new ATOM 0 HD12 ILE A 63 -6.904 -9.825 -3.339 1.00 4.32 H new ATOM 0 HD13 ILE A 63 -8.549 -10.431 -3.029 1.00 4.32 H new ATOM 690 N ASN A 64 -5.904 -6.304 -2.223 1.00 13.22 N ATOM 691 CA ASN A 64 -4.601 -5.942 -2.768 1.00 52.45 C ATOM 692 C ASN A 64 -4.068 -7.043 -3.680 1.00 51.42 C ATOM 693 O ASN A 64 -4.381 -8.219 -3.499 1.00 25.54 O ATOM 694 CB ASN A 64 -3.607 -5.676 -1.636 1.00 51.53 C ATOM 695 CG ASN A 64 -3.591 -4.220 -1.211 1.00 42.13 C ATOM 696 OD1 ASN A 64 -3.178 -3.344 -1.972 1.00 20.22 O ATOM 697 ND2 ASN A 64 -4.041 -3.955 0.010 1.00 72.14 N ATOM 0 H ASN A 64 -5.867 -6.949 -1.434 1.00 13.22 H new ATOM 0 HA ASN A 64 -4.721 -5.033 -3.357 1.00 52.45 H new ATOM 0 HB2 ASN A 64 -3.862 -6.299 -0.779 1.00 51.53 H new ATOM 0 HB3 ASN A 64 -2.608 -5.969 -1.957 1.00 51.53 H new ATOM 0 HD21 ASN A 64 -4.054 -2.994 0.351 1.00 72.14 H new ATOM 0 HD22 ASN A 64 -4.374 -4.713 0.606 1.00 72.14 H new ATOM 704 N VAL A 65 -3.261 -6.652 -4.661 1.00 41.24 N ATOM 705 CA VAL A 65 -2.682 -7.605 -5.601 1.00 34.02 C ATOM 706 C VAL A 65 -1.372 -7.081 -6.178 1.00 72.42 C ATOM 707 O VAL A 65 -1.120 -5.877 -6.218 1.00 51.04 O ATOM 708 CB VAL A 65 -3.653 -7.914 -6.756 1.00 41.33 C ATOM 709 CG1 VAL A 65 -4.736 -8.880 -6.301 1.00 10.44 C ATOM 710 CG2 VAL A 65 -4.265 -6.629 -7.295 1.00 63.41 C ATOM 0 H VAL A 65 -2.993 -5.682 -4.826 1.00 41.24 H new ATOM 0 HA VAL A 65 -2.489 -8.522 -5.044 1.00 34.02 H new ATOM 0 HB VAL A 65 -3.092 -8.389 -7.561 1.00 41.33 H new ATOM 0 HG11 VAL A 65 -5.412 -9.086 -7.131 1.00 10.44 H new ATOM 0 HG12 VAL A 65 -4.277 -9.811 -5.968 1.00 10.44 H new ATOM 0 HG13 VAL A 65 -5.297 -8.437 -5.478 1.00 10.44 H new ATOM 0 HG21 VAL A 65 -4.948 -6.866 -8.110 1.00 63.41 H new ATOM 0 HG22 VAL A 65 -4.812 -6.124 -6.498 1.00 63.41 H new ATOM 0 HG23 VAL A 65 -3.474 -5.976 -7.663 1.00 63.41 H new ATOM 720 N PRO A 66 -0.516 -8.006 -6.637 1.00 74.54 N ATOM 721 CA PRO A 66 0.783 -7.662 -7.222 1.00 52.15 C ATOM 722 C PRO A 66 0.645 -6.976 -8.577 1.00 52.32 C ATOM 723 O PRO A 66 -0.067 -7.458 -9.459 1.00 44.32 O ATOM 724 CB PRO A 66 1.473 -9.019 -7.378 1.00 73.45 C ATOM 725 CG PRO A 66 0.357 -10.002 -7.481 1.00 4.35 C ATOM 726 CD PRO A 66 -0.751 -9.460 -6.621 1.00 74.12 C ATOM 0 HA PRO A 66 1.335 -6.957 -6.601 1.00 52.15 H new ATOM 0 HB2 PRO A 66 2.104 -9.042 -8.266 1.00 73.45 H new ATOM 0 HB3 PRO A 66 2.115 -9.237 -6.525 1.00 73.45 H new ATOM 0 HG2 PRO A 66 0.030 -10.114 -8.515 1.00 4.35 H new ATOM 0 HG3 PRO A 66 0.672 -10.987 -7.137 1.00 4.35 H new ATOM 0 HD2 PRO A 66 -1.732 -9.713 -7.023 1.00 74.12 H new ATOM 0 HD3 PRO A 66 -0.708 -9.863 -5.609 1.00 74.12 H new ATOM 734 N CYS A 67 1.330 -5.848 -8.737 1.00 34.25 N ATOM 735 CA CYS A 67 1.284 -5.095 -9.984 1.00 11.11 C ATOM 736 C CYS A 67 2.531 -5.356 -10.823 1.00 44.00 C ATOM 737 O CYS A 67 2.539 -5.120 -12.031 1.00 51.03 O ATOM 738 CB CYS A 67 1.154 -3.598 -9.696 1.00 32.04 C ATOM 739 SG CYS A 67 0.244 -2.671 -10.973 1.00 65.03 S ATOM 0 H CYS A 67 1.924 -5.436 -8.018 1.00 34.25 H new ATOM 0 HA CYS A 67 0.412 -5.427 -10.548 1.00 11.11 H new ATOM 0 HB2 CYS A 67 0.651 -3.466 -8.738 1.00 32.04 H new ATOM 0 HB3 CYS A 67 2.152 -3.171 -9.594 1.00 32.04 H new TER 744 CYS A 67