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 30:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 36 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.18) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.856 K(o=-0.86,f=-3.2!) USER MOD Single : A 47 SER OG : rot -62:sc= 0.984 USER MOD Single : A 49 ASN : amide:sc= 1.55 K(o=1.5,f=-8.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00746 USER MOD Single : A 58 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.2) USER MOD Single : A 61 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 3.383 -0.983 -1.076 1.00 33.34 N ATOM 2 CA MET A 19 3.476 -0.304 -2.362 1.00 41.35 C ATOM 3 C MET A 19 3.012 -1.215 -3.494 1.00 34.42 C ATOM 4 O MET A 19 3.823 -1.855 -4.161 1.00 61.13 O ATOM 5 CB MET A 19 4.913 0.154 -2.618 1.00 42.44 C ATOM 6 CG MET A 19 5.028 1.224 -3.692 1.00 51.21 C ATOM 7 SD MET A 19 6.644 2.023 -3.707 1.00 4.02 S ATOM 8 CE MET A 19 6.538 2.975 -5.220 1.00 72.13 C ATOM 0 HA MET A 19 2.823 0.568 -2.331 1.00 41.35 H new ATOM 0 HB2 MET A 19 5.335 0.537 -1.689 1.00 42.44 H new ATOM 0 HB3 MET A 19 5.514 -0.708 -2.909 1.00 42.44 H new ATOM 0 HG2 MET A 19 4.840 0.776 -4.668 1.00 51.21 H new ATOM 0 HG3 MET A 19 4.256 1.977 -3.533 1.00 51.21 H new ATOM 0 HE1 MET A 19 7.466 3.527 -5.368 1.00 72.13 H new ATOM 0 HE2 MET A 19 6.377 2.302 -6.063 1.00 72.13 H new ATOM 0 HE3 MET A 19 5.706 3.676 -5.151 1.00 72.13 H new ATOM 18 N GLY A 20 1.700 -1.270 -3.703 1.00 54.14 N ATOM 19 CA GLY A 20 1.151 -2.107 -4.754 1.00 54.54 C ATOM 20 C GLY A 20 -0.200 -1.617 -5.239 1.00 21.42 C ATOM 21 O GLY A 20 -0.563 -0.460 -5.025 1.00 21.30 O ATOM 0 H GLY A 20 1.008 -0.750 -3.164 1.00 54.14 H new ATOM 0 HA2 GLY A 20 1.847 -2.135 -5.593 1.00 54.54 H new ATOM 0 HA3 GLY A 20 1.053 -3.129 -4.387 1.00 54.54 H new ATOM 25 N CYS A 21 -0.946 -2.499 -5.895 1.00 34.51 N ATOM 26 CA CYS A 21 -2.264 -2.152 -6.414 1.00 3.35 C ATOM 27 C CYS A 21 -3.348 -3.001 -5.757 1.00 14.21 C ATOM 28 O CYS A 21 -3.056 -3.984 -5.075 1.00 11.54 O ATOM 29 CB CYS A 21 -2.303 -2.339 -7.931 1.00 51.15 C ATOM 30 SG CYS A 21 -1.715 -0.895 -8.874 1.00 61.42 S ATOM 0 H CYS A 21 -0.660 -3.460 -6.080 1.00 34.51 H new ATOM 0 HA CYS A 21 -2.456 -1.105 -6.179 1.00 3.35 H new ATOM 0 HB2 CYS A 21 -1.695 -3.204 -8.195 1.00 51.15 H new ATOM 0 HB3 CYS A 21 -3.326 -2.564 -8.232 1.00 51.15 H new ATOM 35 N THR A 22 -4.603 -2.615 -5.968 1.00 71.10 N ATOM 36 CA THR A 22 -5.732 -3.339 -5.397 1.00 24.11 C ATOM 37 C THR A 22 -6.717 -3.763 -6.480 1.00 33.44 C ATOM 38 O THR A 22 -6.887 -3.072 -7.484 1.00 43.20 O ATOM 39 CB THR A 22 -6.473 -2.488 -4.349 1.00 2.12 C ATOM 40 OG1 THR A 22 -7.087 -1.359 -4.980 1.00 75.21 O ATOM 41 CG2 THR A 22 -5.518 -2.011 -3.265 1.00 65.30 C ATOM 0 H THR A 22 -4.863 -1.805 -6.530 1.00 71.10 H new ATOM 0 HA THR A 22 -5.326 -4.226 -4.912 1.00 24.11 H new ATOM 0 HB THR A 22 -7.241 -3.109 -3.887 1.00 2.12 H new ATOM 0 HG1 THR A 22 -7.558 -0.824 -4.307 1.00 75.21 H new ATOM 0 HG21 THR A 22 -6.064 -1.412 -2.536 1.00 65.30 H new ATOM 0 HG22 THR A 22 -5.074 -2.873 -2.766 1.00 65.30 H new ATOM 0 HG23 THR A 22 -4.730 -1.406 -3.714 1.00 65.30 H new ATOM 49 N TYR A 23 -7.366 -4.903 -6.269 1.00 22.33 N ATOM 50 CA TYR A 23 -8.334 -5.421 -7.228 1.00 51.42 C ATOM 51 C TYR A 23 -9.683 -5.670 -6.560 1.00 61.23 C ATOM 52 O TYR A 23 -9.751 -6.023 -5.382 1.00 41.42 O ATOM 53 CB TYR A 23 -7.817 -6.715 -7.859 1.00 14.22 C ATOM 54 CG TYR A 23 -8.844 -7.424 -8.713 1.00 63.01 C ATOM 55 CD1 TYR A 23 -8.961 -7.143 -10.069 1.00 20.50 C ATOM 56 CD2 TYR A 23 -9.697 -8.374 -8.165 1.00 3.44 C ATOM 57 CE1 TYR A 23 -9.898 -7.788 -10.853 1.00 64.44 C ATOM 58 CE2 TYR A 23 -10.635 -9.024 -8.942 1.00 32.53 C ATOM 59 CZ TYR A 23 -10.732 -8.728 -10.285 1.00 70.33 C ATOM 60 OH TYR A 23 -11.667 -9.373 -11.062 1.00 64.45 O ATOM 0 H TYR A 23 -7.239 -5.486 -5.442 1.00 22.33 H new ATOM 0 HA TYR A 23 -8.469 -4.673 -8.009 1.00 51.42 H new ATOM 0 HB2 TYR A 23 -6.943 -6.488 -8.470 1.00 14.22 H new ATOM 0 HB3 TYR A 23 -7.487 -7.389 -7.068 1.00 14.22 H new ATOM 0 HD1 TYR A 23 -8.309 -6.408 -10.517 1.00 20.50 H new ATOM 0 HD2 TYR A 23 -9.625 -8.608 -7.113 1.00 3.44 H new ATOM 0 HE1 TYR A 23 -9.977 -7.557 -11.905 1.00 64.44 H new ATOM 0 HE2 TYR A 23 -11.289 -9.761 -8.500 1.00 32.53 H new ATOM 0 HH TYR A 23 -11.336 -9.443 -11.982 1.00 64.45 H new ATOM 70 N THR A 24 -10.757 -5.485 -7.322 1.00 65.54 N ATOM 71 CA THR A 24 -12.104 -5.690 -6.807 1.00 12.55 C ATOM 72 C THR A 24 -12.700 -6.994 -7.324 1.00 44.23 C ATOM 73 O THR A 24 -12.901 -7.160 -8.528 1.00 24.53 O ATOM 74 CB THR A 24 -13.036 -4.525 -7.192 1.00 4.32 C ATOM 75 OG1 THR A 24 -12.449 -3.278 -6.800 1.00 35.55 O ATOM 76 CG2 THR A 24 -14.398 -4.680 -6.533 1.00 23.15 C ATOM 0 H THR A 24 -10.719 -5.193 -8.299 1.00 65.54 H new ATOM 0 HA THR A 24 -12.022 -5.738 -5.721 1.00 12.55 H new ATOM 0 HB THR A 24 -13.171 -4.539 -8.274 1.00 4.32 H new ATOM 0 HG1 THR A 24 -13.046 -2.542 -7.050 1.00 35.55 H new ATOM 0 HG21 THR A 24 -15.038 -3.846 -6.820 1.00 23.15 H new ATOM 0 HG22 THR A 24 -14.854 -5.615 -6.857 1.00 23.15 H new ATOM 0 HG23 THR A 24 -14.279 -4.690 -5.450 1.00 23.15 H new ATOM 84 N ILE A 25 -12.980 -7.915 -6.409 1.00 71.20 N ATOM 85 CA ILE A 25 -13.555 -9.204 -6.774 1.00 65.13 C ATOM 86 C ILE A 25 -15.069 -9.108 -6.926 1.00 43.25 C ATOM 87 O ILE A 25 -15.803 -9.127 -5.939 1.00 54.04 O ATOM 88 CB ILE A 25 -13.223 -10.285 -5.729 1.00 4.04 C ATOM 89 CG1 ILE A 25 -11.728 -10.269 -5.403 1.00 43.41 C ATOM 90 CG2 ILE A 25 -13.646 -11.657 -6.232 1.00 44.24 C ATOM 91 CD1 ILE A 25 -11.324 -11.291 -4.364 1.00 34.12 C ATOM 0 H ILE A 25 -12.818 -7.793 -5.409 1.00 71.20 H new ATOM 0 HA ILE A 25 -13.114 -9.486 -7.730 1.00 65.13 H new ATOM 0 HB ILE A 25 -13.777 -10.068 -4.816 1.00 4.04 H new ATOM 0 HG12 ILE A 25 -11.163 -10.450 -6.318 1.00 43.41 H new ATOM 0 HG13 ILE A 25 -11.452 -9.275 -5.050 1.00 43.41 H new ATOM 0 HG21 ILE A 25 -13.404 -12.410 -5.482 1.00 44.24 H new ATOM 0 HG22 ILE A 25 -14.720 -11.661 -6.418 1.00 44.24 H new ATOM 0 HG23 ILE A 25 -13.117 -11.884 -7.158 1.00 44.24 H new ATOM 0 HD11 ILE A 25 -10.251 -11.222 -4.184 1.00 34.12 H new ATOM 0 HD12 ILE A 25 -11.861 -11.098 -3.436 1.00 34.12 H new ATOM 0 HD13 ILE A 25 -11.568 -12.291 -4.723 1.00 34.12 H new ATOM 103 N GLN A 26 -15.528 -9.006 -8.170 1.00 23.13 N ATOM 104 CA GLN A 26 -16.955 -8.908 -8.451 1.00 31.22 C ATOM 105 C GLN A 26 -17.542 -10.278 -8.774 1.00 65.51 C ATOM 106 O GLN A 26 -16.826 -11.227 -9.097 1.00 5.31 O ATOM 107 CB GLN A 26 -17.202 -7.947 -9.615 1.00 14.13 C ATOM 108 CG GLN A 26 -16.396 -6.661 -9.524 1.00 34.33 C ATOM 109 CD GLN A 26 -17.102 -5.483 -10.165 1.00 75.12 C ATOM 110 OE1 GLN A 26 -18.221 -5.612 -10.664 1.00 42.52 O ATOM 111 NE2 GLN A 26 -16.452 -4.326 -10.155 1.00 43.33 N ATOM 0 H GLN A 26 -14.933 -8.989 -8.998 1.00 23.13 H new ATOM 0 HA GLN A 26 -17.449 -8.522 -7.559 1.00 31.22 H new ATOM 0 HB2 GLN A 26 -16.960 -8.452 -10.550 1.00 14.13 H new ATOM 0 HB3 GLN A 26 -18.263 -7.699 -9.652 1.00 14.13 H new ATOM 0 HG2 GLN A 26 -16.198 -6.435 -8.476 1.00 34.33 H new ATOM 0 HG3 GLN A 26 -15.430 -6.807 -10.007 1.00 34.33 H new ATOM 0 HE21 GLN A 26 -15.527 -4.265 -9.731 1.00 43.33 H new ATOM 0 HE22 GLN A 26 -16.878 -3.498 -10.572 1.00 43.33 H new ATOM 120 N PRO A 27 -18.875 -10.388 -8.686 1.00 14.41 N ATOM 121 CA PRO A 27 -19.588 -11.638 -8.965 1.00 64.14 C ATOM 122 C PRO A 27 -19.288 -12.177 -10.360 1.00 44.31 C ATOM 123 O PRO A 27 -19.870 -11.730 -11.347 1.00 41.43 O ATOM 124 CB PRO A 27 -21.061 -11.240 -8.851 1.00 73.14 C ATOM 125 CG PRO A 27 -21.060 -10.025 -7.990 1.00 41.41 C ATOM 126 CD PRO A 27 -19.791 -9.299 -8.307 1.00 13.41 C ATOM 0 HA PRO A 27 -19.294 -12.436 -8.283 1.00 64.14 H new ATOM 0 HB2 PRO A 27 -21.491 -11.031 -9.830 1.00 73.14 H new ATOM 0 HB3 PRO A 27 -21.654 -12.040 -8.407 1.00 73.14 H new ATOM 0 HG2 PRO A 27 -21.929 -9.400 -8.195 1.00 41.41 H new ATOM 0 HG3 PRO A 27 -21.103 -10.294 -6.935 1.00 41.41 H new ATOM 0 HD2 PRO A 27 -19.926 -8.584 -9.119 1.00 13.41 H new ATOM 0 HD3 PRO A 27 -19.420 -8.740 -7.448 1.00 13.41 H new ATOM 134 N GLY A 28 -18.375 -13.141 -10.434 1.00 2.23 N ATOM 135 CA GLY A 28 -18.014 -13.725 -11.712 1.00 50.34 C ATOM 136 C GLY A 28 -16.518 -13.914 -11.862 1.00 5.13 C ATOM 137 O GLY A 28 -16.064 -14.692 -12.701 1.00 31.53 O ATOM 0 H GLY A 28 -17.879 -13.528 -9.631 1.00 2.23 H new ATOM 0 HA2 GLY A 28 -18.511 -14.689 -11.821 1.00 50.34 H new ATOM 0 HA3 GLY A 28 -18.379 -13.086 -12.516 1.00 50.34 H new ATOM 141 N ASP A 29 -15.748 -13.200 -11.048 1.00 14.45 N ATOM 142 CA ASP A 29 -14.294 -13.292 -11.093 1.00 43.01 C ATOM 143 C ASP A 29 -13.784 -14.336 -10.104 1.00 53.11 C ATOM 144 O ASP A 29 -14.112 -14.296 -8.918 1.00 12.33 O ATOM 145 CB ASP A 29 -13.665 -11.932 -10.787 1.00 12.32 C ATOM 146 CG ASP A 29 -14.421 -10.786 -11.432 1.00 24.41 C ATOM 147 OD1 ASP A 29 -14.733 -10.886 -12.637 1.00 51.42 O ATOM 148 OD2 ASP A 29 -14.700 -9.791 -10.731 1.00 70.44 O ATOM 0 H ASP A 29 -16.107 -12.551 -10.348 1.00 14.45 H new ATOM 0 HA ASP A 29 -14.006 -13.599 -12.098 1.00 43.01 H new ATOM 0 HB2 ASP A 29 -13.636 -11.783 -9.708 1.00 12.32 H new ATOM 0 HB3 ASP A 29 -12.633 -11.925 -11.137 1.00 12.32 H new ATOM 153 N THR A 30 -12.981 -15.272 -10.600 1.00 42.45 N ATOM 154 CA THR A 30 -12.428 -16.328 -9.762 1.00 1.52 C ATOM 155 C THR A 30 -10.949 -16.088 -9.479 1.00 14.50 C ATOM 156 O THR A 30 -10.273 -15.373 -10.220 1.00 33.24 O ATOM 157 CB THR A 30 -12.595 -17.711 -10.417 1.00 74.34 C ATOM 158 OG1 THR A 30 -13.008 -17.561 -11.780 1.00 51.03 O ATOM 159 CG2 THR A 30 -13.617 -18.548 -9.662 1.00 53.22 C ATOM 0 H THR A 30 -12.699 -15.320 -11.579 1.00 42.45 H new ATOM 0 HA THR A 30 -12.983 -16.309 -8.824 1.00 1.52 H new ATOM 0 HB THR A 30 -11.633 -18.223 -10.383 1.00 74.34 H new ATOM 0 HG1 THR A 30 -13.110 -18.445 -12.190 1.00 51.03 H new ATOM 0 HG21 THR A 30 -13.718 -19.521 -10.144 1.00 53.22 H new ATOM 0 HG22 THR A 30 -13.286 -18.685 -8.633 1.00 53.22 H new ATOM 0 HG23 THR A 30 -14.581 -18.038 -9.668 1.00 53.22 H new ATOM 167 N PHE A 31 -10.452 -16.689 -8.403 1.00 72.03 N ATOM 168 CA PHE A 31 -9.052 -16.540 -8.023 1.00 35.15 C ATOM 169 C PHE A 31 -8.131 -16.953 -9.166 1.00 63.22 C ATOM 170 O PHE A 31 -7.258 -16.190 -9.581 1.00 33.12 O ATOM 171 CB PHE A 31 -8.748 -17.378 -6.779 1.00 73.42 C ATOM 172 CG PHE A 31 -9.019 -16.658 -5.489 1.00 73.04 C ATOM 173 CD1 PHE A 31 -8.438 -15.427 -5.233 1.00 24.14 C ATOM 174 CD2 PHE A 31 -9.856 -17.212 -4.534 1.00 25.24 C ATOM 175 CE1 PHE A 31 -8.685 -14.761 -4.047 1.00 32.22 C ATOM 176 CE2 PHE A 31 -10.107 -16.551 -3.346 1.00 52.14 C ATOM 177 CZ PHE A 31 -9.520 -15.325 -3.102 1.00 54.41 C ATOM 0 H PHE A 31 -10.998 -17.283 -7.779 1.00 72.03 H new ATOM 0 HA PHE A 31 -8.872 -15.489 -7.798 1.00 35.15 H new ATOM 0 HB2 PHE A 31 -9.346 -18.289 -6.810 1.00 73.42 H new ATOM 0 HB3 PHE A 31 -7.702 -17.682 -6.803 1.00 73.42 H new ATOM 0 HD1 PHE A 31 -7.784 -14.982 -5.969 1.00 24.14 H new ATOM 0 HD2 PHE A 31 -10.317 -18.171 -4.720 1.00 25.24 H new ATOM 0 HE1 PHE A 31 -8.226 -13.802 -3.860 1.00 32.22 H new ATOM 0 HE2 PHE A 31 -10.762 -16.993 -2.609 1.00 52.14 H new ATOM 0 HZ PHE A 31 -9.713 -14.808 -2.174 1.00 54.41 H new ATOM 187 N TRP A 32 -8.331 -18.165 -9.671 1.00 22.45 N ATOM 188 CA TRP A 32 -7.518 -18.681 -10.766 1.00 44.00 C ATOM 189 C TRP A 32 -7.495 -17.702 -11.935 1.00 34.31 C ATOM 190 O TRP A 32 -6.429 -17.305 -12.403 1.00 51.41 O ATOM 191 CB TRP A 32 -8.051 -20.037 -11.230 1.00 74.13 C ATOM 192 CG TRP A 32 -7.039 -20.849 -11.980 1.00 41.11 C ATOM 193 CD1 TRP A 32 -6.006 -21.565 -11.447 1.00 64.43 C ATOM 194 CD2 TRP A 32 -6.962 -21.025 -13.399 1.00 35.21 C ATOM 195 NE1 TRP A 32 -5.291 -22.177 -12.450 1.00 13.45 N ATOM 196 CE2 TRP A 32 -5.859 -21.862 -13.656 1.00 4.41 C ATOM 197 CE3 TRP A 32 -7.720 -20.560 -14.477 1.00 11.21 C ATOM 198 CZ2 TRP A 32 -5.496 -22.239 -14.946 1.00 24.41 C ATOM 199 CZ3 TRP A 32 -7.358 -20.935 -15.757 1.00 34.43 C ATOM 200 CH2 TRP A 32 -6.255 -21.769 -15.983 1.00 30.04 C ATOM 0 H TRP A 32 -9.049 -18.809 -9.340 1.00 22.45 H new ATOM 0 HA TRP A 32 -6.499 -18.806 -10.401 1.00 44.00 H new ATOM 0 HB2 TRP A 32 -8.389 -20.603 -10.362 1.00 74.13 H new ATOM 0 HB3 TRP A 32 -8.922 -19.879 -11.866 1.00 74.13 H new ATOM 0 HD1 TRP A 32 -5.783 -21.640 -10.393 1.00 64.43 H new ATOM 0 HE1 TRP A 32 -4.471 -22.769 -12.317 1.00 13.45 H new ATOM 0 HE3 TRP A 32 -8.574 -19.919 -14.313 1.00 11.21 H new ATOM 0 HZ2 TRP A 32 -4.645 -22.880 -15.122 1.00 24.41 H new ATOM 0 HZ3 TRP A 32 -7.935 -20.579 -16.598 1.00 34.43 H new ATOM 0 HH2 TRP A 32 -5.999 -22.046 -16.995 1.00 30.04 H new ATOM 211 N ALA A 33 -8.679 -17.318 -12.402 1.00 2.33 N ATOM 212 CA ALA A 33 -8.794 -16.384 -13.515 1.00 11.54 C ATOM 213 C ALA A 33 -7.966 -15.128 -13.265 1.00 43.34 C ATOM 214 O ALA A 33 -7.126 -14.754 -14.085 1.00 31.10 O ATOM 215 CB ALA A 33 -10.253 -16.018 -13.748 1.00 64.32 C ATOM 0 H ALA A 33 -9.571 -17.639 -12.027 1.00 2.33 H new ATOM 0 HA ALA A 33 -8.406 -16.872 -14.409 1.00 11.54 H new ATOM 0 HB1 ALA A 33 -10.324 -15.320 -14.582 1.00 64.32 H new ATOM 0 HB2 ALA A 33 -10.822 -16.919 -13.979 1.00 64.32 H new ATOM 0 HB3 ALA A 33 -10.659 -15.553 -12.850 1.00 64.32 H new ATOM 221 N ILE A 34 -8.208 -14.481 -12.130 1.00 43.45 N ATOM 222 CA ILE A 34 -7.483 -13.267 -11.774 1.00 52.03 C ATOM 223 C ILE A 34 -5.984 -13.530 -11.679 1.00 51.41 C ATOM 224 O ILE A 34 -5.170 -12.660 -11.988 1.00 55.32 O ATOM 225 CB ILE A 34 -7.978 -12.689 -10.435 1.00 42.43 C ATOM 226 CG1 ILE A 34 -9.475 -12.383 -10.509 1.00 12.03 C ATOM 227 CG2 ILE A 34 -7.193 -11.435 -10.077 1.00 62.54 C ATOM 228 CD1 ILE A 34 -10.129 -12.235 -9.153 1.00 2.53 C ATOM 0 H ILE A 34 -8.900 -14.777 -11.441 1.00 43.45 H new ATOM 0 HA ILE A 34 -7.672 -12.542 -12.566 1.00 52.03 H new ATOM 0 HB ILE A 34 -7.816 -13.431 -9.654 1.00 42.43 H new ATOM 0 HG12 ILE A 34 -9.622 -11.464 -11.077 1.00 12.03 H new ATOM 0 HG13 ILE A 34 -9.974 -13.181 -11.059 1.00 12.03 H new ATOM 0 HG21 ILE A 34 -7.554 -11.038 -9.128 1.00 62.54 H new ATOM 0 HG22 ILE A 34 -6.135 -11.681 -9.988 1.00 62.54 H new ATOM 0 HG23 ILE A 34 -7.327 -10.687 -10.858 1.00 62.54 H new ATOM 0 HD11 ILE A 34 -11.190 -12.019 -9.282 1.00 2.53 H new ATOM 0 HD12 ILE A 34 -10.013 -13.161 -8.590 1.00 2.53 H new ATOM 0 HD13 ILE A 34 -9.656 -11.418 -8.608 1.00 2.53 H new ATOM 240 N ALA A 35 -5.626 -14.736 -11.251 1.00 13.33 N ATOM 241 CA ALA A 35 -4.225 -15.115 -11.118 1.00 51.35 C ATOM 242 C ALA A 35 -3.523 -15.101 -12.472 1.00 23.30 C ATOM 243 O ALA A 35 -2.578 -14.342 -12.683 1.00 1.51 O ATOM 244 CB ALA A 35 -4.108 -16.488 -10.475 1.00 34.43 C ATOM 0 H ALA A 35 -6.287 -15.468 -10.990 1.00 13.33 H new ATOM 0 HA ALA A 35 -3.735 -14.383 -10.476 1.00 51.35 H new ATOM 0 HB1 ALA A 35 -3.056 -16.758 -10.382 1.00 34.43 H new ATOM 0 HB2 ALA A 35 -4.566 -16.467 -9.486 1.00 34.43 H new ATOM 0 HB3 ALA A 35 -4.618 -17.225 -11.095 1.00 34.43 H new ATOM 250 N GLN A 36 -3.990 -15.947 -13.385 1.00 13.05 N ATOM 251 CA GLN A 36 -3.405 -16.032 -14.717 1.00 61.32 C ATOM 252 C GLN A 36 -3.518 -14.699 -15.448 1.00 54.51 C ATOM 253 O GLN A 36 -2.733 -14.405 -16.349 1.00 41.24 O ATOM 254 CB GLN A 36 -4.091 -17.132 -15.529 1.00 71.22 C ATOM 255 CG GLN A 36 -4.224 -18.448 -14.780 1.00 61.41 C ATOM 256 CD GLN A 36 -2.910 -18.918 -14.188 1.00 62.21 C ATOM 257 OE1 GLN A 36 -1.861 -18.832 -14.828 1.00 74.42 O ATOM 258 NE2 GLN A 36 -2.959 -19.419 -12.959 1.00 51.41 N ATOM 0 H GLN A 36 -4.772 -16.583 -13.226 1.00 13.05 H new ATOM 0 HA GLN A 36 -2.348 -16.276 -14.607 1.00 61.32 H new ATOM 0 HB2 GLN A 36 -5.083 -16.789 -15.824 1.00 71.22 H new ATOM 0 HB3 GLN A 36 -3.526 -17.301 -16.446 1.00 71.22 H new ATOM 0 HG2 GLN A 36 -4.958 -18.335 -13.982 1.00 61.41 H new ATOM 0 HG3 GLN A 36 -4.606 -19.211 -15.458 1.00 61.41 H new ATOM 0 HE21 GLN A 36 -3.850 -19.472 -12.465 1.00 51.41 H new ATOM 0 HE22 GLN A 36 -2.106 -19.751 -12.509 1.00 51.41 H new ATOM 267 N ARG A 37 -4.501 -13.895 -15.054 1.00 21.12 N ATOM 268 CA ARG A 37 -4.718 -12.593 -15.673 1.00 21.03 C ATOM 269 C ARG A 37 -3.752 -11.555 -15.108 1.00 72.14 C ATOM 270 O ARG A 37 -3.364 -10.613 -15.800 1.00 33.13 O ATOM 271 CB ARG A 37 -6.161 -12.135 -15.454 1.00 1.21 C ATOM 272 CG ARG A 37 -6.466 -10.773 -16.057 1.00 62.54 C ATOM 273 CD ARG A 37 -7.954 -10.601 -16.319 1.00 2.32 C ATOM 274 NE ARG A 37 -8.223 -9.509 -17.250 1.00 43.44 N ATOM 275 CZ ARG A 37 -9.420 -8.957 -17.410 1.00 75.03 C ATOM 276 NH1 ARG A 37 -10.454 -9.393 -16.704 1.00 13.01 N ATOM 277 NH2 ARG A 37 -9.586 -7.967 -18.278 1.00 2.21 N ATOM 0 H ARG A 37 -5.159 -14.123 -14.309 1.00 21.12 H new ATOM 0 HA ARG A 37 -4.534 -12.692 -16.743 1.00 21.03 H new ATOM 0 HB2 ARG A 37 -6.837 -12.873 -15.885 1.00 1.21 H new ATOM 0 HB3 ARG A 37 -6.365 -12.103 -14.384 1.00 1.21 H new ATOM 0 HG2 ARG A 37 -6.121 -9.990 -15.382 1.00 62.54 H new ATOM 0 HG3 ARG A 37 -5.915 -10.655 -16.990 1.00 62.54 H new ATOM 0 HD2 ARG A 37 -8.361 -11.529 -16.721 1.00 2.32 H new ATOM 0 HD3 ARG A 37 -8.468 -10.409 -15.377 1.00 2.32 H new ATOM 0 HE ARG A 37 -7.449 -9.150 -17.808 1.00 43.44 H new ATOM 0 HH11 ARG A 37 -10.331 -10.154 -16.036 1.00 13.01 H new ATOM 0 HH12 ARG A 37 -11.373 -8.967 -16.829 1.00 13.01 H new ATOM 0 HH21 ARG A 37 -8.793 -7.629 -18.824 1.00 2.21 H new ATOM 0 HH22 ARG A 37 -10.506 -7.544 -18.400 1.00 2.21 H new ATOM 291 N ARG A 38 -3.369 -11.734 -13.849 1.00 23.54 N ATOM 292 CA ARG A 38 -2.450 -10.813 -13.191 1.00 51.10 C ATOM 293 C ARG A 38 -1.044 -11.402 -13.125 1.00 0.33 C ATOM 294 O ARG A 38 -0.228 -10.996 -12.298 1.00 52.43 O ATOM 295 CB ARG A 38 -2.945 -10.486 -11.781 1.00 4.22 C ATOM 296 CG ARG A 38 -4.263 -9.730 -11.758 1.00 32.22 C ATOM 297 CD ARG A 38 -4.092 -8.297 -12.236 1.00 53.14 C ATOM 298 NE ARG A 38 -3.351 -7.484 -11.276 1.00 64.02 N ATOM 299 CZ ARG A 38 -2.893 -6.266 -11.543 1.00 52.21 C ATOM 300 NH1 ARG A 38 -3.101 -5.722 -12.735 1.00 20.35 N ATOM 301 NH2 ARG A 38 -2.227 -5.588 -10.617 1.00 62.31 N ATOM 0 H ARG A 38 -3.681 -12.509 -13.263 1.00 23.54 H new ATOM 0 HA ARG A 38 -2.413 -9.895 -13.778 1.00 51.10 H new ATOM 0 HB2 ARG A 38 -3.058 -11.414 -11.221 1.00 4.22 H new ATOM 0 HB3 ARG A 38 -2.187 -9.894 -11.267 1.00 4.22 H new ATOM 0 HG2 ARG A 38 -4.988 -10.242 -12.391 1.00 32.22 H new ATOM 0 HG3 ARG A 38 -4.667 -9.731 -10.746 1.00 32.22 H new ATOM 0 HD2 ARG A 38 -3.570 -8.294 -13.193 1.00 53.14 H new ATOM 0 HD3 ARG A 38 -5.072 -7.853 -12.407 1.00 53.14 H new ATOM 0 HE ARG A 38 -3.175 -7.873 -10.349 1.00 64.02 H new ATOM 0 HH11 ARG A 38 -3.614 -6.239 -13.449 1.00 20.35 H new ATOM 0 HH12 ARG A 38 -2.748 -4.787 -12.937 1.00 20.35 H new ATOM 0 HH21 ARG A 38 -2.066 -6.002 -9.699 1.00 62.31 H new ATOM 0 HH22 ARG A 38 -1.876 -4.653 -10.823 1.00 62.31 H new ATOM 315 N GLY A 39 -0.768 -12.363 -14.002 1.00 11.45 N ATOM 316 CA GLY A 39 0.539 -12.992 -14.025 1.00 62.22 C ATOM 317 C GLY A 39 0.964 -13.498 -12.661 1.00 73.50 C ATOM 318 O GLY A 39 2.156 -13.578 -12.362 1.00 51.25 O ATOM 0 H GLY A 39 -1.426 -12.717 -14.696 1.00 11.45 H new ATOM 0 HA2 GLY A 39 0.526 -13.824 -14.730 1.00 62.22 H new ATOM 0 HA3 GLY A 39 1.276 -12.277 -14.390 1.00 62.22 H new ATOM 322 N THR A 40 -0.014 -13.841 -11.828 1.00 31.30 N ATOM 323 CA THR A 40 0.264 -14.340 -10.487 1.00 11.41 C ATOM 324 C THR A 40 -0.482 -15.641 -10.218 1.00 74.45 C ATOM 325 O THR A 40 -1.292 -16.085 -11.034 1.00 21.24 O ATOM 326 CB THR A 40 -0.125 -13.307 -9.412 1.00 71.11 C ATOM 327 OG1 THR A 40 0.356 -13.729 -8.131 1.00 12.31 O ATOM 328 CG2 THR A 40 -1.634 -13.125 -9.358 1.00 14.30 C ATOM 0 H THR A 40 -1.006 -13.782 -12.059 1.00 31.30 H new ATOM 0 HA THR A 40 1.337 -14.523 -10.434 1.00 11.41 H new ATOM 0 HB THR A 40 0.331 -12.352 -9.674 1.00 71.11 H new ATOM 0 HG1 THR A 40 0.106 -13.067 -7.453 1.00 12.31 H new ATOM 0 HG21 THR A 40 -1.885 -12.391 -8.592 1.00 14.30 H new ATOM 0 HG22 THR A 40 -1.993 -12.776 -10.326 1.00 14.30 H new ATOM 0 HG23 THR A 40 -2.107 -14.077 -9.117 1.00 14.30 H new ATOM 336 N THR A 41 -0.206 -16.251 -9.070 1.00 11.45 N ATOM 337 CA THR A 41 -0.851 -17.502 -8.694 1.00 31.33 C ATOM 338 C THR A 41 -1.828 -17.293 -7.542 1.00 24.41 C ATOM 339 O THR A 41 -1.659 -16.385 -6.728 1.00 43.04 O ATOM 340 CB THR A 41 0.184 -18.568 -8.287 1.00 43.21 C ATOM 341 OG1 THR A 41 1.464 -18.245 -8.843 1.00 73.12 O ATOM 342 CG2 THR A 41 -0.246 -19.948 -8.759 1.00 60.44 C ATOM 0 H THR A 41 0.461 -15.898 -8.384 1.00 11.45 H new ATOM 0 HA THR A 41 -1.396 -17.852 -9.571 1.00 31.33 H new ATOM 0 HB THR A 41 0.253 -18.579 -7.199 1.00 43.21 H new ATOM 0 HG1 THR A 41 2.117 -18.926 -8.578 1.00 73.12 H new ATOM 0 HG21 THR A 41 0.501 -20.684 -8.460 1.00 60.44 H new ATOM 0 HG22 THR A 41 -1.206 -20.203 -8.311 1.00 60.44 H new ATOM 0 HG23 THR A 41 -0.341 -19.948 -9.845 1.00 60.44 H new ATOM 350 N VAL A 42 -2.850 -18.141 -7.478 1.00 1.32 N ATOM 351 CA VAL A 42 -3.853 -18.050 -6.424 1.00 11.13 C ATOM 352 C VAL A 42 -3.202 -18.033 -5.045 1.00 71.33 C ATOM 353 O VAL A 42 -3.656 -17.332 -4.141 1.00 53.23 O ATOM 354 CB VAL A 42 -4.849 -19.222 -6.495 1.00 35.43 C ATOM 355 CG1 VAL A 42 -4.115 -20.552 -6.423 1.00 70.53 C ATOM 356 CG2 VAL A 42 -5.881 -19.113 -5.382 1.00 5.14 C ATOM 0 H VAL A 42 -3.005 -18.898 -8.143 1.00 1.32 H new ATOM 0 HA VAL A 42 -4.392 -17.115 -6.579 1.00 11.13 H new ATOM 0 HB VAL A 42 -5.372 -19.174 -7.450 1.00 35.43 H new ATOM 0 HG11 VAL A 42 -4.835 -21.368 -6.475 1.00 70.53 H new ATOM 0 HG12 VAL A 42 -3.419 -20.629 -7.258 1.00 70.53 H new ATOM 0 HG13 VAL A 42 -3.564 -20.613 -5.485 1.00 70.53 H new ATOM 0 HG21 VAL A 42 -6.577 -19.950 -5.448 1.00 5.14 H new ATOM 0 HG22 VAL A 42 -5.377 -19.135 -4.416 1.00 5.14 H new ATOM 0 HG23 VAL A 42 -6.429 -18.176 -5.484 1.00 5.14 H new ATOM 366 N ASP A 43 -2.135 -18.810 -4.892 1.00 13.13 N ATOM 367 CA ASP A 43 -1.420 -18.884 -3.623 1.00 45.33 C ATOM 368 C ASP A 43 -0.951 -17.501 -3.183 1.00 4.54 C ATOM 369 O ASP A 43 -1.191 -17.084 -2.049 1.00 43.03 O ATOM 370 CB ASP A 43 -0.222 -19.828 -3.743 1.00 50.42 C ATOM 371 CG ASP A 43 0.639 -19.832 -2.495 1.00 74.31 C ATOM 372 OD1 ASP A 43 1.822 -19.443 -2.588 1.00 71.55 O ATOM 373 OD2 ASP A 43 0.129 -20.224 -1.425 1.00 33.11 O ATOM 0 H ASP A 43 -1.746 -19.397 -5.630 1.00 13.13 H new ATOM 0 HA ASP A 43 -2.105 -19.273 -2.870 1.00 45.33 H new ATOM 0 HB2 ASP A 43 -0.578 -20.839 -3.938 1.00 50.42 H new ATOM 0 HB3 ASP A 43 0.385 -19.533 -4.599 1.00 50.42 H new ATOM 378 N VAL A 44 -0.280 -16.793 -4.086 1.00 65.10 N ATOM 379 CA VAL A 44 0.223 -15.457 -3.791 1.00 4.22 C ATOM 380 C VAL A 44 -0.922 -14.480 -3.546 1.00 24.43 C ATOM 381 O VAL A 44 -0.902 -13.715 -2.581 1.00 40.14 O ATOM 382 CB VAL A 44 1.103 -14.922 -4.937 1.00 32.22 C ATOM 383 CG1 VAL A 44 1.605 -13.523 -4.616 1.00 41.34 C ATOM 384 CG2 VAL A 44 2.265 -15.867 -5.201 1.00 62.20 C ATOM 0 H VAL A 44 -0.072 -17.123 -5.029 1.00 65.10 H new ATOM 0 HA VAL A 44 0.827 -15.539 -2.887 1.00 4.22 H new ATOM 0 HB VAL A 44 0.497 -14.866 -5.842 1.00 32.22 H new ATOM 0 HG11 VAL A 44 2.225 -13.162 -5.437 1.00 41.34 H new ATOM 0 HG12 VAL A 44 0.755 -12.854 -4.481 1.00 41.34 H new ATOM 0 HG13 VAL A 44 2.195 -13.550 -3.700 1.00 41.34 H new ATOM 0 HG21 VAL A 44 2.876 -15.474 -6.013 1.00 62.20 H new ATOM 0 HG22 VAL A 44 2.873 -15.957 -4.300 1.00 62.20 H new ATOM 0 HG23 VAL A 44 1.880 -16.848 -5.479 1.00 62.20 H new ATOM 394 N ILE A 45 -1.918 -14.513 -4.424 1.00 30.30 N ATOM 395 CA ILE A 45 -3.073 -13.632 -4.302 1.00 23.23 C ATOM 396 C ILE A 45 -3.682 -13.715 -2.907 1.00 35.45 C ATOM 397 O ILE A 45 -3.914 -12.695 -2.258 1.00 64.23 O ATOM 398 CB ILE A 45 -4.154 -13.974 -5.344 1.00 13.34 C ATOM 399 CG1 ILE A 45 -3.583 -13.864 -6.759 1.00 22.33 C ATOM 400 CG2 ILE A 45 -5.356 -13.056 -5.180 1.00 14.25 C ATOM 401 CD1 ILE A 45 -4.403 -14.594 -7.800 1.00 10.43 C ATOM 0 H ILE A 45 -1.949 -15.140 -5.228 1.00 30.30 H new ATOM 0 HA ILE A 45 -2.717 -12.617 -4.480 1.00 23.23 H new ATOM 0 HB ILE A 45 -4.480 -15.001 -5.183 1.00 13.34 H new ATOM 0 HG12 ILE A 45 -3.515 -12.811 -7.034 1.00 22.33 H new ATOM 0 HG13 ILE A 45 -2.568 -14.261 -6.764 1.00 22.33 H new ATOM 0 HG21 ILE A 45 -6.112 -13.310 -5.923 1.00 14.25 H new ATOM 0 HG22 ILE A 45 -5.774 -13.179 -4.181 1.00 14.25 H new ATOM 0 HG23 ILE A 45 -5.045 -12.021 -5.318 1.00 14.25 H new ATOM 0 HD11 ILE A 45 -3.939 -14.473 -8.779 1.00 10.43 H new ATOM 0 HD12 ILE A 45 -4.450 -15.654 -7.549 1.00 10.43 H new ATOM 0 HD13 ILE A 45 -5.412 -14.182 -7.823 1.00 10.43 H new ATOM 413 N GLN A 46 -3.939 -14.937 -2.451 1.00 23.34 N ATOM 414 CA GLN A 46 -4.521 -15.153 -1.131 1.00 64.42 C ATOM 415 C GLN A 46 -3.543 -14.749 -0.032 1.00 53.14 C ATOM 416 O GLN A 46 -3.929 -14.126 0.956 1.00 12.35 O ATOM 417 CB GLN A 46 -4.920 -16.620 -0.961 1.00 22.14 C ATOM 418 CG GLN A 46 -5.653 -16.904 0.341 1.00 44.23 C ATOM 419 CD GLN A 46 -7.045 -16.305 0.369 1.00 2.31 C ATOM 420 OE1 GLN A 46 -7.288 -15.301 1.040 1.00 21.32 O ATOM 421 NE2 GLN A 46 -7.969 -16.918 -0.362 1.00 5.04 N ATOM 0 H GLN A 46 -3.754 -15.792 -2.976 1.00 23.34 H new ATOM 0 HA GLN A 46 -5.411 -14.529 -1.047 1.00 64.42 H new ATOM 0 HB2 GLN A 46 -5.554 -16.915 -1.797 1.00 22.14 H new ATOM 0 HB3 GLN A 46 -4.024 -17.239 -1.007 1.00 22.14 H new ATOM 0 HG2 GLN A 46 -5.722 -17.982 0.487 1.00 44.23 H new ATOM 0 HG3 GLN A 46 -5.073 -16.506 1.174 1.00 44.23 H new ATOM 0 HE21 GLN A 46 -7.724 -17.747 -0.903 1.00 5.04 H new ATOM 0 HE22 GLN A 46 -8.924 -16.559 -0.382 1.00 5.04 H new ATOM 430 N SER A 47 -2.276 -15.108 -0.212 1.00 73.24 N ATOM 431 CA SER A 47 -1.244 -14.786 0.766 1.00 71.30 C ATOM 432 C SER A 47 -1.244 -13.294 1.084 1.00 25.21 C ATOM 433 O SER A 47 -1.142 -12.895 2.245 1.00 13.10 O ATOM 434 CB SER A 47 0.131 -15.209 0.246 1.00 42.14 C ATOM 435 OG SER A 47 0.720 -14.181 -0.532 1.00 2.11 O ATOM 0 H SER A 47 -1.940 -15.622 -1.026 1.00 73.24 H new ATOM 0 HA SER A 47 -1.462 -15.335 1.682 1.00 71.30 H new ATOM 0 HB2 SER A 47 0.782 -15.452 1.086 1.00 42.14 H new ATOM 0 HB3 SER A 47 0.034 -16.114 -0.354 1.00 42.14 H new ATOM 0 HG SER A 47 0.162 -14.005 -1.318 1.00 2.11 H new ATOM 441 N LEU A 48 -1.357 -12.474 0.045 1.00 31.31 N ATOM 442 CA LEU A 48 -1.370 -11.025 0.212 1.00 70.11 C ATOM 443 C LEU A 48 -2.586 -10.581 1.019 1.00 5.41 C ATOM 444 O LEU A 48 -2.568 -9.529 1.657 1.00 13.10 O ATOM 445 CB LEU A 48 -1.370 -10.335 -1.153 1.00 41.12 C ATOM 446 CG LEU A 48 -0.072 -10.434 -1.956 1.00 31.44 C ATOM 447 CD1 LEU A 48 -0.215 -9.724 -3.293 1.00 13.14 C ATOM 448 CD2 LEU A 48 1.091 -9.855 -1.163 1.00 54.33 C ATOM 0 H LEU A 48 -1.441 -12.788 -0.922 1.00 31.31 H new ATOM 0 HA LEU A 48 -0.471 -10.738 0.757 1.00 70.11 H new ATOM 0 HB2 LEU A 48 -2.177 -10.758 -1.751 1.00 41.12 H new ATOM 0 HB3 LEU A 48 -1.602 -9.280 -1.005 1.00 41.12 H new ATOM 0 HG LEU A 48 0.134 -11.487 -2.148 1.00 31.44 H new ATOM 0 HD11 LEU A 48 0.719 -9.805 -3.850 1.00 13.14 H new ATOM 0 HD12 LEU A 48 -1.020 -10.185 -3.865 1.00 13.14 H new ATOM 0 HD13 LEU A 48 -0.446 -8.672 -3.124 1.00 13.14 H new ATOM 0 HD21 LEU A 48 2.006 -9.934 -1.750 1.00 54.33 H new ATOM 0 HD22 LEU A 48 0.893 -8.807 -0.939 1.00 54.33 H new ATOM 0 HD23 LEU A 48 1.208 -10.409 -0.232 1.00 54.33 H new ATOM 460 N ASN A 49 -3.639 -11.391 0.988 1.00 42.33 N ATOM 461 CA ASN A 49 -4.863 -11.082 1.718 1.00 43.41 C ATOM 462 C ASN A 49 -5.131 -12.126 2.797 1.00 23.12 C ATOM 463 O ASN A 49 -6.021 -12.967 2.675 1.00 72.45 O ATOM 464 CB ASN A 49 -6.051 -11.009 0.756 1.00 24.33 C ATOM 465 CG ASN A 49 -5.891 -9.912 -0.278 1.00 61.24 C ATOM 466 OD1 ASN A 49 -6.422 -8.813 -0.121 1.00 11.12 O ATOM 467 ND2 ASN A 49 -5.156 -10.207 -1.345 1.00 31.24 N ATOM 0 H ASN A 49 -3.669 -12.266 0.465 1.00 42.33 H new ATOM 0 HA ASN A 49 -4.734 -10.113 2.200 1.00 43.41 H new ATOM 0 HB2 ASN A 49 -6.165 -11.968 0.250 1.00 24.33 H new ATOM 0 HB3 ASN A 49 -6.965 -10.838 1.324 1.00 24.33 H new ATOM 0 HD21 ASN A 49 -5.014 -9.509 -2.075 1.00 31.24 H new ATOM 0 HD22 ASN A 49 -4.734 -11.131 -1.434 1.00 31.24 H new ATOM 474 N PRO A 50 -4.343 -12.072 3.881 1.00 23.33 N ATOM 475 CA PRO A 50 -4.476 -13.005 5.004 1.00 31.41 C ATOM 476 C PRO A 50 -5.755 -12.774 5.801 1.00 10.45 C ATOM 477 O PRO A 50 -6.179 -13.630 6.576 1.00 23.14 O ATOM 478 CB PRO A 50 -3.247 -12.703 5.865 1.00 50.32 C ATOM 479 CG PRO A 50 -2.895 -11.292 5.540 1.00 13.11 C ATOM 480 CD PRO A 50 -3.261 -11.096 4.095 1.00 70.13 C ATOM 0 HA PRO A 50 -4.534 -14.040 4.668 1.00 31.41 H new ATOM 0 HB2 PRO A 50 -3.468 -12.822 6.926 1.00 50.32 H new ATOM 0 HB3 PRO A 50 -2.425 -13.380 5.633 1.00 50.32 H new ATOM 0 HG2 PRO A 50 -3.440 -10.597 6.178 1.00 13.11 H new ATOM 0 HG3 PRO A 50 -1.833 -11.108 5.702 1.00 13.11 H new ATOM 0 HD2 PRO A 50 -3.595 -10.077 3.900 1.00 70.13 H new ATOM 0 HD3 PRO A 50 -2.413 -11.285 3.437 1.00 70.13 H new ATOM 488 N GLY A 51 -6.367 -11.609 5.606 1.00 64.34 N ATOM 489 CA GLY A 51 -7.592 -11.286 6.314 1.00 64.54 C ATOM 490 C GLY A 51 -8.773 -12.103 5.830 1.00 73.31 C ATOM 491 O GLY A 51 -9.697 -12.385 6.594 1.00 62.34 O ATOM 0 H GLY A 51 -6.036 -10.883 4.970 1.00 64.34 H new ATOM 0 HA2 GLY A 51 -7.448 -11.458 7.381 1.00 64.54 H new ATOM 0 HA3 GLY A 51 -7.812 -10.226 6.189 1.00 64.54 H new ATOM 495 N VAL A 52 -8.746 -12.483 4.556 1.00 34.44 N ATOM 496 CA VAL A 52 -9.824 -13.272 3.971 1.00 21.21 C ATOM 497 C VAL A 52 -9.394 -14.720 3.762 1.00 51.11 C ATOM 498 O VAL A 52 -8.218 -15.056 3.902 1.00 71.15 O ATOM 499 CB VAL A 52 -10.282 -12.684 2.623 1.00 24.21 C ATOM 500 CG1 VAL A 52 -10.974 -11.346 2.832 1.00 71.04 C ATOM 501 CG2 VAL A 52 -9.100 -12.540 1.676 1.00 23.42 C ATOM 0 H VAL A 52 -7.990 -12.257 3.910 1.00 34.44 H new ATOM 0 HA VAL A 52 -10.657 -13.241 4.674 1.00 21.21 H new ATOM 0 HB VAL A 52 -10.999 -13.370 2.171 1.00 24.21 H new ATOM 0 HG11 VAL A 52 -11.291 -10.946 1.869 1.00 71.04 H new ATOM 0 HG12 VAL A 52 -11.845 -11.483 3.472 1.00 71.04 H new ATOM 0 HG13 VAL A 52 -10.283 -10.649 3.305 1.00 71.04 H new ATOM 0 HG21 VAL A 52 -9.442 -12.123 0.729 1.00 23.42 H new ATOM 0 HG22 VAL A 52 -8.358 -11.875 2.118 1.00 23.42 H new ATOM 0 HG23 VAL A 52 -8.652 -13.518 1.502 1.00 23.42 H new ATOM 511 N VAL A 53 -10.355 -15.574 3.425 1.00 34.13 N ATOM 512 CA VAL A 53 -10.077 -16.987 3.195 1.00 43.42 C ATOM 513 C VAL A 53 -10.908 -17.529 2.038 1.00 42.15 C ATOM 514 O VAL A 53 -11.967 -17.000 1.700 1.00 42.34 O ATOM 515 CB VAL A 53 -10.360 -17.827 4.454 1.00 63.31 C ATOM 516 CG1 VAL A 53 -9.231 -17.676 5.462 1.00 10.43 C ATOM 517 CG2 VAL A 53 -11.693 -17.431 5.070 1.00 20.10 C ATOM 0 H VAL A 53 -11.333 -15.312 3.305 1.00 34.13 H new ATOM 0 HA VAL A 53 -9.019 -17.065 2.946 1.00 43.42 H new ATOM 0 HB VAL A 53 -10.418 -18.876 4.164 1.00 63.31 H new ATOM 0 HG11 VAL A 53 -9.449 -18.277 6.345 1.00 10.43 H new ATOM 0 HG12 VAL A 53 -8.296 -18.014 5.015 1.00 10.43 H new ATOM 0 HG13 VAL A 53 -9.138 -16.629 5.750 1.00 10.43 H new ATOM 0 HG21 VAL A 53 -11.877 -18.035 5.959 1.00 20.10 H new ATOM 0 HG22 VAL A 53 -11.667 -16.377 5.346 1.00 20.10 H new ATOM 0 HG23 VAL A 53 -12.492 -17.597 4.347 1.00 20.10 H new ATOM 527 N PRO A 54 -10.419 -18.611 1.414 1.00 24.10 N ATOM 528 CA PRO A 54 -11.101 -19.250 0.285 1.00 31.30 C ATOM 529 C PRO A 54 -12.386 -19.954 0.707 1.00 14.35 C ATOM 530 O PRO A 54 -13.333 -20.061 -0.073 1.00 33.45 O ATOM 531 CB PRO A 54 -10.075 -20.268 -0.219 1.00 73.33 C ATOM 532 CG PRO A 54 -9.224 -20.568 0.966 1.00 15.14 C ATOM 533 CD PRO A 54 -9.162 -19.294 1.764 1.00 61.45 C ATOM 0 HA PRO A 54 -11.408 -18.525 -0.469 1.00 31.30 H new ATOM 0 HB2 PRO A 54 -10.562 -21.168 -0.594 1.00 73.33 H new ATOM 0 HB3 PRO A 54 -9.483 -19.861 -1.038 1.00 73.33 H new ATOM 0 HG2 PRO A 54 -9.650 -21.379 1.557 1.00 15.14 H new ATOM 0 HG3 PRO A 54 -8.227 -20.886 0.660 1.00 15.14 H new ATOM 0 HD2 PRO A 54 -9.097 -19.493 2.834 1.00 61.45 H new ATOM 0 HD3 PRO A 54 -8.291 -18.695 1.498 1.00 61.45 H new ATOM 541 N THR A 55 -12.414 -20.431 1.948 1.00 70.41 N ATOM 542 CA THR A 55 -13.583 -21.125 2.474 1.00 61.22 C ATOM 543 C THR A 55 -14.768 -20.177 2.613 1.00 34.12 C ATOM 544 O THR A 55 -15.923 -20.596 2.533 1.00 72.23 O ATOM 545 CB THR A 55 -13.287 -21.764 3.844 1.00 75.43 C ATOM 546 OG1 THR A 55 -11.947 -22.267 3.871 1.00 2.52 O ATOM 547 CG2 THR A 55 -14.264 -22.894 4.135 1.00 24.25 C ATOM 0 H THR A 55 -11.640 -20.349 2.607 1.00 70.41 H new ATOM 0 HA THR A 55 -13.832 -21.911 1.761 1.00 61.22 H new ATOM 0 HB THR A 55 -13.402 -20.998 4.611 1.00 75.43 H new ATOM 0 HG1 THR A 55 -11.766 -22.670 4.746 1.00 2.52 H new ATOM 0 HG21 THR A 55 -14.036 -23.331 5.107 1.00 24.25 H new ATOM 0 HG22 THR A 55 -15.281 -22.503 4.142 1.00 24.25 H new ATOM 0 HG23 THR A 55 -14.175 -23.659 3.364 1.00 24.25 H new ATOM 555 N ARG A 56 -14.476 -18.898 2.822 1.00 44.42 N ATOM 556 CA ARG A 56 -15.518 -17.890 2.973 1.00 74.02 C ATOM 557 C ARG A 56 -15.603 -17.005 1.732 1.00 33.44 C ATOM 558 O ARG A 56 -15.697 -15.781 1.835 1.00 64.42 O ATOM 559 CB ARG A 56 -15.251 -17.029 4.209 1.00 65.42 C ATOM 560 CG ARG A 56 -15.146 -17.829 5.497 1.00 35.20 C ATOM 561 CD ARG A 56 -15.539 -16.993 6.705 1.00 21.11 C ATOM 562 NE ARG A 56 -14.850 -15.706 6.727 1.00 40.42 N ATOM 563 CZ ARG A 56 -15.201 -14.697 7.517 1.00 74.30 C ATOM 564 NH1 ARG A 56 -16.228 -14.827 8.346 1.00 61.00 N ATOM 565 NH2 ARG A 56 -14.525 -13.556 7.479 1.00 30.32 N ATOM 0 H ARG A 56 -13.525 -18.535 2.891 1.00 44.42 H new ATOM 0 HA ARG A 56 -16.470 -18.405 3.097 1.00 74.02 H new ATOM 0 HB2 ARG A 56 -14.326 -16.472 4.061 1.00 65.42 H new ATOM 0 HB3 ARG A 56 -16.051 -16.296 4.311 1.00 65.42 H new ATOM 0 HG2 ARG A 56 -15.790 -18.706 5.435 1.00 35.20 H new ATOM 0 HG3 ARG A 56 -14.125 -18.191 5.620 1.00 35.20 H new ATOM 0 HD2 ARG A 56 -16.616 -16.827 6.696 1.00 21.11 H new ATOM 0 HD3 ARG A 56 -15.308 -17.543 7.617 1.00 21.11 H new ATOM 0 HE ARG A 56 -14.055 -15.574 6.101 1.00 40.42 H new ATOM 0 HH11 ARG A 56 -16.750 -15.703 8.378 1.00 61.00 H new ATOM 0 HH12 ARG A 56 -16.496 -14.051 8.952 1.00 61.00 H new ATOM 0 HH21 ARG A 56 -13.735 -13.452 6.843 1.00 30.32 H new ATOM 0 HH22 ARG A 56 -14.796 -12.782 8.086 1.00 30.32 H new ATOM 579 N LEU A 57 -15.570 -17.632 0.562 1.00 62.33 N ATOM 580 CA LEU A 57 -15.642 -16.903 -0.699 1.00 55.54 C ATOM 581 C LEU A 57 -16.927 -16.085 -0.782 1.00 13.51 C ATOM 582 O LEU A 57 -18.009 -16.577 -0.463 1.00 61.52 O ATOM 583 CB LEU A 57 -15.566 -17.874 -1.879 1.00 12.14 C ATOM 584 CG LEU A 57 -15.136 -17.272 -3.217 1.00 34.30 C ATOM 585 CD1 LEU A 57 -13.641 -16.993 -3.221 1.00 55.11 C ATOM 586 CD2 LEU A 57 -15.511 -18.200 -4.364 1.00 24.35 C ATOM 0 H LEU A 57 -15.494 -18.644 0.460 1.00 62.33 H new ATOM 0 HA LEU A 57 -14.794 -16.220 -0.744 1.00 55.54 H new ATOM 0 HB2 LEU A 57 -14.870 -18.673 -1.622 1.00 12.14 H new ATOM 0 HB3 LEU A 57 -16.546 -18.334 -2.009 1.00 12.14 H new ATOM 0 HG LEU A 57 -15.661 -16.327 -3.354 1.00 34.30 H new ATOM 0 HD11 LEU A 57 -13.353 -16.565 -4.181 1.00 55.11 H new ATOM 0 HD12 LEU A 57 -13.400 -16.290 -2.424 1.00 55.11 H new ATOM 0 HD13 LEU A 57 -13.097 -17.924 -3.061 1.00 55.11 H new ATOM 0 HD21 LEU A 57 -15.198 -17.756 -5.309 1.00 24.35 H new ATOM 0 HD22 LEU A 57 -15.014 -19.161 -4.232 1.00 24.35 H new ATOM 0 HD23 LEU A 57 -16.591 -18.349 -4.374 1.00 24.35 H new ATOM 598 N GLN A 58 -16.800 -14.834 -1.213 1.00 42.13 N ATOM 599 CA GLN A 58 -17.952 -13.949 -1.339 1.00 45.42 C ATOM 600 C GLN A 58 -17.771 -12.983 -2.505 1.00 43.53 C ATOM 601 O GLN A 58 -16.716 -12.366 -2.657 1.00 22.33 O ATOM 602 CB GLN A 58 -18.164 -13.167 -0.042 1.00 14.51 C ATOM 603 CG GLN A 58 -19.216 -12.074 -0.155 1.00 64.34 C ATOM 604 CD GLN A 58 -19.608 -11.500 1.191 1.00 12.05 C ATOM 605 OE1 GLN A 58 -19.174 -11.985 2.237 1.00 71.24 O ATOM 606 NE2 GLN A 58 -20.434 -10.460 1.174 1.00 61.20 N ATOM 0 H GLN A 58 -15.911 -14.411 -1.481 1.00 42.13 H new ATOM 0 HA GLN A 58 -18.831 -14.563 -1.533 1.00 45.42 H new ATOM 0 HB2 GLN A 58 -18.456 -13.860 0.747 1.00 14.51 H new ATOM 0 HB3 GLN A 58 -17.218 -12.719 0.261 1.00 14.51 H new ATOM 0 HG2 GLN A 58 -18.836 -11.274 -0.790 1.00 64.34 H new ATOM 0 HG3 GLN A 58 -20.102 -12.477 -0.646 1.00 64.34 H new ATOM 0 HE21 GLN A 58 -20.770 -10.090 0.285 1.00 61.20 H new ATOM 0 HE22 GLN A 58 -20.733 -10.032 2.050 1.00 61.20 H new ATOM 615 N VAL A 59 -18.807 -12.855 -3.328 1.00 60.32 N ATOM 616 CA VAL A 59 -18.763 -11.964 -4.481 1.00 1.42 C ATOM 617 C VAL A 59 -18.963 -10.512 -4.061 1.00 10.25 C ATOM 618 O VAL A 59 -19.798 -10.211 -3.209 1.00 0.43 O ATOM 619 CB VAL A 59 -19.835 -12.338 -5.521 1.00 52.22 C ATOM 620 CG1 VAL A 59 -19.637 -13.767 -6.002 1.00 43.05 C ATOM 621 CG2 VAL A 59 -21.229 -12.151 -4.940 1.00 43.34 C ATOM 0 H VAL A 59 -19.688 -13.358 -3.217 1.00 60.32 H new ATOM 0 HA VAL A 59 -17.777 -12.077 -4.931 1.00 1.42 H new ATOM 0 HB VAL A 59 -19.731 -11.674 -6.379 1.00 52.22 H new ATOM 0 HG11 VAL A 59 -20.404 -14.013 -6.736 1.00 43.05 H new ATOM 0 HG12 VAL A 59 -18.652 -13.864 -6.459 1.00 43.05 H new ATOM 0 HG13 VAL A 59 -19.713 -14.450 -5.156 1.00 43.05 H new ATOM 0 HG21 VAL A 59 -21.974 -12.420 -5.689 1.00 43.34 H new ATOM 0 HG22 VAL A 59 -21.347 -12.790 -4.065 1.00 43.34 H new ATOM 0 HG23 VAL A 59 -21.366 -11.109 -4.650 1.00 43.34 H new ATOM 631 N GLY A 60 -18.190 -9.614 -4.665 1.00 74.32 N ATOM 632 CA GLY A 60 -18.298 -8.204 -4.341 1.00 12.12 C ATOM 633 C GLY A 60 -17.400 -7.804 -3.187 1.00 34.12 C ATOM 634 O GLY A 60 -17.824 -7.082 -2.285 1.00 42.40 O ATOM 0 H GLY A 60 -17.491 -9.838 -5.373 1.00 74.32 H new ATOM 0 HA2 GLY A 60 -18.041 -7.612 -5.219 1.00 12.12 H new ATOM 0 HA3 GLY A 60 -19.333 -7.970 -4.090 1.00 12.12 H new ATOM 638 N GLN A 61 -16.158 -8.276 -3.214 1.00 73.24 N ATOM 639 CA GLN A 61 -15.200 -7.965 -2.161 1.00 2.14 C ATOM 640 C GLN A 61 -13.870 -7.509 -2.752 1.00 1.13 C ATOM 641 O GLN A 61 -13.357 -8.115 -3.693 1.00 4.53 O ATOM 642 CB GLN A 61 -14.981 -9.185 -1.264 1.00 54.11 C ATOM 643 CG GLN A 61 -14.495 -8.834 0.133 1.00 72.11 C ATOM 644 CD GLN A 61 -14.612 -9.996 1.100 1.00 2.41 C ATOM 645 OE1 GLN A 61 -15.435 -9.975 2.016 1.00 24.50 O ATOM 646 NE2 GLN A 61 -13.787 -11.017 0.902 1.00 43.15 N ATOM 0 H GLN A 61 -15.792 -8.875 -3.954 1.00 73.24 H new ATOM 0 HA GLN A 61 -15.609 -7.151 -1.562 1.00 2.14 H new ATOM 0 HB2 GLN A 61 -15.916 -9.740 -1.186 1.00 54.11 H new ATOM 0 HB3 GLN A 61 -14.255 -9.847 -1.736 1.00 54.11 H new ATOM 0 HG2 GLN A 61 -13.455 -8.512 0.082 1.00 72.11 H new ATOM 0 HG3 GLN A 61 -15.071 -7.990 0.513 1.00 72.11 H new ATOM 0 HE21 GLN A 61 -13.121 -10.992 0.130 1.00 43.15 H new ATOM 0 HE22 GLN A 61 -13.819 -11.826 1.522 1.00 43.15 H new ATOM 655 N VAL A 62 -13.316 -6.437 -2.194 1.00 14.22 N ATOM 656 CA VAL A 62 -12.046 -5.900 -2.665 1.00 44.42 C ATOM 657 C VAL A 62 -10.870 -6.608 -2.002 1.00 3.54 C ATOM 658 O VAL A 62 -10.980 -7.094 -0.876 1.00 12.44 O ATOM 659 CB VAL A 62 -11.940 -4.387 -2.393 1.00 60.32 C ATOM 660 CG1 VAL A 62 -11.865 -4.117 -0.898 1.00 62.42 C ATOM 661 CG2 VAL A 62 -10.734 -3.800 -3.111 1.00 22.34 C ATOM 0 H VAL A 62 -13.728 -5.924 -1.415 1.00 14.22 H new ATOM 0 HA VAL A 62 -12.010 -6.071 -3.741 1.00 44.42 H new ATOM 0 HB VAL A 62 -12.836 -3.902 -2.780 1.00 60.32 H new ATOM 0 HG11 VAL A 62 -11.791 -3.043 -0.725 1.00 62.42 H new ATOM 0 HG12 VAL A 62 -12.763 -4.501 -0.413 1.00 62.42 H new ATOM 0 HG13 VAL A 62 -10.988 -4.613 -0.482 1.00 62.42 H new ATOM 0 HG21 VAL A 62 -10.675 -2.731 -2.908 1.00 22.34 H new ATOM 0 HG22 VAL A 62 -9.826 -4.288 -2.756 1.00 22.34 H new ATOM 0 HG23 VAL A 62 -10.836 -3.960 -4.184 1.00 22.34 H new ATOM 671 N ILE A 63 -9.745 -6.661 -2.706 1.00 64.52 N ATOM 672 CA ILE A 63 -8.547 -7.309 -2.184 1.00 53.35 C ATOM 673 C ILE A 63 -7.285 -6.630 -2.704 1.00 44.21 C ATOM 674 O ILE A 63 -7.354 -5.673 -3.474 1.00 13.32 O ATOM 675 CB ILE A 63 -8.505 -8.802 -2.560 1.00 14.21 C ATOM 676 CG1 ILE A 63 -8.559 -8.970 -4.080 1.00 12.43 C ATOM 677 CG2 ILE A 63 -9.655 -9.547 -1.898 1.00 52.33 C ATOM 678 CD1 ILE A 63 -7.927 -10.254 -4.569 1.00 5.34 C ATOM 0 H ILE A 63 -9.637 -6.263 -3.639 1.00 64.52 H new ATOM 0 HA ILE A 63 -8.586 -7.217 -1.099 1.00 53.35 H new ATOM 0 HB ILE A 63 -7.568 -9.226 -2.200 1.00 14.21 H new ATOM 0 HG12 ILE A 63 -9.599 -8.940 -4.404 1.00 12.43 H new ATOM 0 HG13 ILE A 63 -8.055 -8.125 -4.549 1.00 12.43 H new ATOM 0 HG21 ILE A 63 -9.612 -10.601 -2.173 1.00 52.33 H new ATOM 0 HG22 ILE A 63 -9.575 -9.451 -0.815 1.00 52.33 H new ATOM 0 HG23 ILE A 63 -10.603 -9.123 -2.231 1.00 52.33 H new ATOM 0 HD11 ILE A 63 -8.002 -10.306 -5.655 1.00 5.34 H new ATOM 0 HD12 ILE A 63 -6.877 -10.278 -4.276 1.00 5.34 H new ATOM 0 HD13 ILE A 63 -8.446 -11.106 -4.129 1.00 5.34 H new ATOM 690 N ASN A 64 -6.131 -7.134 -2.279 1.00 4.33 N ATOM 691 CA ASN A 64 -4.851 -6.577 -2.702 1.00 50.42 C ATOM 692 C ASN A 64 -4.168 -7.491 -3.715 1.00 20.04 C ATOM 693 O ASN A 64 -4.292 -8.714 -3.646 1.00 15.11 O ATOM 694 CB ASN A 64 -3.938 -6.364 -1.493 1.00 33.33 C ATOM 695 CG ASN A 64 -4.064 -4.969 -0.911 1.00 70.43 C ATOM 696 OD1 ASN A 64 -3.511 -4.009 -1.447 1.00 62.24 O ATOM 697 ND2 ASN A 64 -4.794 -4.852 0.192 1.00 53.14 N ATOM 0 H ASN A 64 -6.056 -7.927 -1.642 1.00 4.33 H new ATOM 0 HA ASN A 64 -5.042 -5.615 -3.178 1.00 50.42 H new ATOM 0 HB2 ASN A 64 -4.180 -7.098 -0.725 1.00 33.33 H new ATOM 0 HB3 ASN A 64 -2.903 -6.540 -1.787 1.00 33.33 H new ATOM 0 HD21 ASN A 64 -4.914 -3.938 0.629 1.00 53.14 H new ATOM 0 HD22 ASN A 64 -5.234 -5.676 0.602 1.00 53.14 H new ATOM 704 N VAL A 65 -3.445 -6.889 -4.654 1.00 72.40 N ATOM 705 CA VAL A 65 -2.740 -7.649 -5.680 1.00 15.20 C ATOM 706 C VAL A 65 -1.471 -6.929 -6.122 1.00 31.23 C ATOM 707 O VAL A 65 -1.341 -5.712 -5.993 1.00 54.45 O ATOM 708 CB VAL A 65 -3.634 -7.893 -6.911 1.00 1.33 C ATOM 709 CG1 VAL A 65 -4.627 -9.011 -6.636 1.00 73.43 C ATOM 710 CG2 VAL A 65 -4.355 -6.613 -7.307 1.00 31.31 C ATOM 0 H VAL A 65 -3.332 -5.878 -4.726 1.00 72.40 H new ATOM 0 HA VAL A 65 -2.474 -8.609 -5.237 1.00 15.20 H new ATOM 0 HB VAL A 65 -3.001 -8.199 -7.744 1.00 1.33 H new ATOM 0 HG11 VAL A 65 -5.250 -9.169 -7.516 1.00 73.43 H new ATOM 0 HG12 VAL A 65 -4.087 -9.929 -6.404 1.00 73.43 H new ATOM 0 HG13 VAL A 65 -5.258 -8.738 -5.790 1.00 73.43 H new ATOM 0 HG21 VAL A 65 -4.982 -6.803 -8.178 1.00 31.31 H new ATOM 0 HG22 VAL A 65 -4.978 -6.275 -6.479 1.00 31.31 H new ATOM 0 HG23 VAL A 65 -3.623 -5.843 -7.548 1.00 31.31 H new ATOM 720 N PRO A 66 -0.510 -7.698 -6.655 1.00 74.15 N ATOM 721 CA PRO A 66 0.766 -7.155 -7.129 1.00 25.35 C ATOM 722 C PRO A 66 0.606 -6.311 -8.388 1.00 4.30 C ATOM 723 O PRO A 66 0.287 -6.828 -9.459 1.00 30.44 O ATOM 724 CB PRO A 66 1.596 -8.407 -7.426 1.00 33.10 C ATOM 725 CG PRO A 66 0.590 -9.470 -7.707 1.00 40.43 C ATOM 726 CD PRO A 66 -0.597 -9.157 -6.839 1.00 10.41 C ATOM 0 HA PRO A 66 1.222 -6.488 -6.397 1.00 25.35 H new ATOM 0 HB2 PRO A 66 2.256 -8.251 -8.279 1.00 33.10 H new ATOM 0 HB3 PRO A 66 2.228 -8.674 -6.579 1.00 33.10 H new ATOM 0 HG2 PRO A 66 0.312 -9.475 -8.761 1.00 40.43 H new ATOM 0 HG3 PRO A 66 0.991 -10.457 -7.478 1.00 40.43 H new ATOM 0 HD2 PRO A 66 -1.532 -9.447 -7.318 1.00 10.41 H new ATOM 0 HD3 PRO A 66 -0.549 -9.686 -5.887 1.00 10.41 H new ATOM 734 N CYS A 67 0.831 -5.008 -8.254 1.00 15.15 N ATOM 735 CA CYS A 67 0.711 -4.091 -9.380 1.00 43.44 C ATOM 736 C CYS A 67 1.770 -4.388 -10.438 1.00 43.11 C ATOM 737 O CYS A 67 2.817 -4.963 -10.138 1.00 12.20 O ATOM 738 CB CYS A 67 0.844 -2.643 -8.903 1.00 32.10 C ATOM 739 SG CYS A 67 -0.088 -1.441 -9.906 1.00 33.24 S ATOM 0 H CYS A 67 1.098 -4.564 -7.375 1.00 15.15 H new ATOM 0 HA CYS A 67 -0.274 -4.230 -9.826 1.00 43.44 H new ATOM 0 HB2 CYS A 67 0.503 -2.579 -7.870 1.00 32.10 H new ATOM 0 HB3 CYS A 67 1.898 -2.365 -8.909 1.00 32.10 H new TER 744 CYS A 67