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 K(o=0,f=-0.6) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 36 GLN : amide:sc= 0.0462 X(o=0.046,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 46 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.067) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1 K(o=1,f=-8.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 2.201 1.097 -2.004 1.00 2.11 N ATOM 2 CA MET A 19 3.122 -0.015 -2.207 1.00 45.14 C ATOM 3 C MET A 19 2.860 -0.701 -3.544 1.00 41.45 C ATOM 4 O MET A 19 3.760 -0.833 -4.373 1.00 4.55 O ATOM 5 CB MET A 19 2.993 -1.027 -1.068 1.00 21.43 C ATOM 6 CG MET A 19 3.736 -0.620 0.194 1.00 14.24 C ATOM 7 SD MET A 19 4.121 -2.024 1.258 1.00 75.11 S ATOM 8 CE MET A 19 3.296 -1.538 2.772 1.00 73.42 C ATOM 0 HA MET A 19 4.136 0.384 -2.216 1.00 45.14 H new ATOM 0 HB2 MET A 19 1.938 -1.162 -0.831 1.00 21.43 H new ATOM 0 HB3 MET A 19 3.370 -1.992 -1.406 1.00 21.43 H new ATOM 0 HG2 MET A 19 4.661 -0.114 -0.081 1.00 14.24 H new ATOM 0 HG3 MET A 19 3.133 0.098 0.750 1.00 14.24 H new ATOM 0 HE1 MET A 19 3.443 -2.308 3.530 1.00 73.42 H new ATOM 0 HE2 MET A 19 3.712 -0.595 3.127 1.00 73.42 H new ATOM 0 HE3 MET A 19 2.230 -1.415 2.582 1.00 73.42 H new ATOM 18 N GLY A 20 1.620 -1.136 -3.748 1.00 44.04 N ATOM 19 CA GLY A 20 1.263 -1.803 -4.987 1.00 33.15 C ATOM 20 C GLY A 20 -0.098 -1.379 -5.501 1.00 54.24 C ATOM 21 O GLY A 20 -0.431 -0.193 -5.496 1.00 22.13 O ATOM 0 H GLY A 20 0.857 -1.039 -3.078 1.00 44.04 H new ATOM 0 HA2 GLY A 20 2.017 -1.586 -5.743 1.00 33.15 H new ATOM 0 HA3 GLY A 20 1.269 -2.882 -4.830 1.00 33.15 H new ATOM 25 N CYS A 21 -0.888 -2.349 -5.950 1.00 13.31 N ATOM 26 CA CYS A 21 -2.220 -2.070 -6.473 1.00 72.41 C ATOM 27 C CYS A 21 -3.250 -3.022 -5.872 1.00 75.43 C ATOM 28 O CYS A 21 -2.902 -4.074 -5.335 1.00 72.52 O ATOM 29 CB CYS A 21 -2.227 -2.190 -7.998 1.00 72.44 C ATOM 30 SG CYS A 21 -1.457 -0.781 -8.859 1.00 32.34 S ATOM 0 H CYS A 21 -0.628 -3.335 -5.962 1.00 13.31 H new ATOM 0 HA CYS A 21 -2.487 -1.051 -6.194 1.00 72.41 H new ATOM 0 HB2 CYS A 21 -1.706 -3.104 -8.282 1.00 72.44 H new ATOM 0 HB3 CYS A 21 -3.257 -2.291 -8.339 1.00 72.44 H new ATOM 35 N THR A 22 -4.522 -2.646 -5.967 1.00 51.00 N ATOM 36 CA THR A 22 -5.603 -3.464 -5.433 1.00 32.31 C ATOM 37 C THR A 22 -6.598 -3.842 -6.525 1.00 24.33 C ATOM 38 O THR A 22 -6.849 -3.065 -7.445 1.00 42.55 O ATOM 39 CB THR A 22 -6.353 -2.736 -4.301 1.00 42.04 C ATOM 40 OG1 THR A 22 -6.635 -1.387 -4.690 1.00 1.13 O ATOM 41 CG2 THR A 22 -5.533 -2.739 -3.020 1.00 34.33 C ATOM 0 H THR A 22 -4.828 -1.779 -6.409 1.00 51.00 H new ATOM 0 HA THR A 22 -5.146 -4.369 -5.033 1.00 32.31 H new ATOM 0 HB THR A 22 -7.289 -3.264 -4.116 1.00 42.04 H new ATOM 0 HG1 THR A 22 -7.113 -0.931 -3.966 1.00 1.13 H new ATOM 0 HG21 THR A 22 -6.083 -2.220 -2.235 1.00 34.33 H new ATOM 0 HG22 THR A 22 -5.344 -3.767 -2.711 1.00 34.33 H new ATOM 0 HG23 THR A 22 -4.584 -2.232 -3.194 1.00 34.33 H new ATOM 49 N TYR A 23 -7.161 -5.040 -6.416 1.00 33.22 N ATOM 50 CA TYR A 23 -8.128 -5.522 -7.396 1.00 2.14 C ATOM 51 C TYR A 23 -9.502 -5.708 -6.759 1.00 50.54 C ATOM 52 O TYR A 23 -9.614 -6.047 -5.581 1.00 0.32 O ATOM 53 CB TYR A 23 -7.653 -6.842 -8.005 1.00 30.11 C ATOM 54 CG TYR A 23 -8.684 -7.507 -8.888 1.00 54.25 C ATOM 55 CD1 TYR A 23 -8.732 -7.244 -10.252 1.00 54.11 C ATOM 56 CD2 TYR A 23 -9.611 -8.397 -8.360 1.00 12.30 C ATOM 57 CE1 TYR A 23 -9.673 -7.848 -11.063 1.00 73.23 C ATOM 58 CE2 TYR A 23 -10.555 -9.007 -9.164 1.00 4.32 C ATOM 59 CZ TYR A 23 -10.582 -8.729 -10.515 1.00 22.14 C ATOM 60 OH TYR A 23 -11.521 -9.334 -11.318 1.00 41.35 O ATOM 0 H TYR A 23 -6.965 -5.695 -5.659 1.00 33.22 H new ATOM 0 HA TYR A 23 -8.211 -4.775 -8.185 1.00 2.14 H new ATOM 0 HB2 TYR A 23 -6.751 -6.659 -8.589 1.00 30.11 H new ATOM 0 HB3 TYR A 23 -7.380 -7.526 -7.201 1.00 30.11 H new ATOM 0 HD1 TYR A 23 -8.021 -6.556 -10.685 1.00 54.11 H new ATOM 0 HD2 TYR A 23 -9.594 -8.616 -7.303 1.00 12.30 H new ATOM 0 HE1 TYR A 23 -9.697 -7.632 -12.121 1.00 73.23 H new ATOM 0 HE2 TYR A 23 -11.267 -9.697 -8.737 1.00 4.32 H new ATOM 0 HH TYR A 23 -11.159 -9.439 -12.222 1.00 41.35 H new ATOM 70 N THR A 24 -10.548 -5.483 -7.549 1.00 63.02 N ATOM 71 CA THR A 24 -11.915 -5.624 -7.065 1.00 72.43 C ATOM 72 C THR A 24 -12.538 -6.929 -7.550 1.00 41.41 C ATOM 73 O THR A 24 -12.731 -7.126 -8.750 1.00 34.50 O ATOM 74 CB THR A 24 -12.797 -4.447 -7.522 1.00 11.12 C ATOM 75 OG1 THR A 24 -12.048 -3.227 -7.477 1.00 21.51 O ATOM 76 CG2 THR A 24 -14.032 -4.322 -6.641 1.00 65.35 C ATOM 0 H THR A 24 -10.474 -5.202 -8.527 1.00 63.02 H new ATOM 0 HA THR A 24 -11.866 -5.630 -5.976 1.00 72.43 H new ATOM 0 HB THR A 24 -13.118 -4.639 -8.546 1.00 11.12 H new ATOM 0 HG1 THR A 24 -12.615 -2.484 -7.771 1.00 21.51 H new ATOM 0 HG21 THR A 24 -14.640 -3.484 -6.983 1.00 65.35 H new ATOM 0 HG22 THR A 24 -14.615 -5.241 -6.700 1.00 65.35 H new ATOM 0 HG23 THR A 24 -13.727 -4.151 -5.609 1.00 65.35 H new ATOM 84 N ILE A 25 -12.850 -7.815 -6.611 1.00 11.24 N ATOM 85 CA ILE A 25 -13.453 -9.100 -6.943 1.00 41.41 C ATOM 86 C ILE A 25 -14.971 -8.988 -7.034 1.00 1.50 C ATOM 87 O ILE A 25 -15.656 -8.875 -6.018 1.00 31.50 O ATOM 88 CB ILE A 25 -13.090 -10.177 -5.904 1.00 72.33 C ATOM 89 CG1 ILE A 25 -11.581 -10.188 -5.654 1.00 63.34 C ATOM 90 CG2 ILE A 25 -13.565 -11.545 -6.372 1.00 51.11 C ATOM 91 CD1 ILE A 25 -11.148 -11.199 -4.616 1.00 24.13 C ATOM 0 H ILE A 25 -12.695 -7.667 -5.614 1.00 11.24 H new ATOM 0 HA ILE A 25 -13.054 -9.394 -7.914 1.00 41.41 H new ATOM 0 HB ILE A 25 -13.592 -9.940 -4.966 1.00 72.33 H new ATOM 0 HG12 ILE A 25 -11.067 -10.399 -6.592 1.00 63.34 H new ATOM 0 HG13 ILE A 25 -11.266 -9.194 -5.335 1.00 63.34 H new ATOM 0 HG21 ILE A 25 -13.301 -12.296 -5.627 1.00 51.11 H new ATOM 0 HG22 ILE A 25 -14.647 -11.529 -6.504 1.00 51.11 H new ATOM 0 HG23 ILE A 25 -13.087 -11.791 -7.320 1.00 51.11 H new ATOM 0 HD11 ILE A 25 -10.066 -11.151 -4.490 1.00 24.13 H new ATOM 0 HD12 ILE A 25 -11.634 -10.976 -3.666 1.00 24.13 H new ATOM 0 HD13 ILE A 25 -11.431 -12.200 -4.942 1.00 24.13 H new ATOM 103 N GLN A 26 -15.489 -9.020 -8.258 1.00 30.35 N ATOM 104 CA GLN A 26 -16.927 -8.924 -8.481 1.00 3.54 C ATOM 105 C GLN A 26 -17.498 -10.262 -8.937 1.00 50.24 C ATOM 106 O GLN A 26 -16.775 -11.154 -9.381 1.00 20.35 O ATOM 107 CB GLN A 26 -17.231 -7.844 -9.521 1.00 12.14 C ATOM 108 CG GLN A 26 -17.435 -6.462 -8.921 1.00 53.00 C ATOM 109 CD GLN A 26 -18.327 -5.582 -9.774 1.00 51.42 C ATOM 110 OE1 GLN A 26 -19.507 -5.875 -9.967 1.00 14.14 O ATOM 111 NE2 GLN A 26 -17.766 -4.495 -10.291 1.00 53.41 N ATOM 0 H GLN A 26 -14.935 -9.112 -9.109 1.00 30.35 H new ATOM 0 HA GLN A 26 -17.399 -8.652 -7.537 1.00 3.54 H new ATOM 0 HB2 GLN A 26 -16.412 -7.802 -10.239 1.00 12.14 H new ATOM 0 HB3 GLN A 26 -18.126 -8.126 -10.075 1.00 12.14 H new ATOM 0 HG2 GLN A 26 -17.873 -6.562 -7.928 1.00 53.00 H new ATOM 0 HG3 GLN A 26 -16.466 -5.978 -8.795 1.00 53.00 H new ATOM 0 HE21 GLN A 26 -16.784 -4.290 -10.105 1.00 53.41 H new ATOM 0 HE22 GLN A 26 -18.317 -3.865 -10.874 1.00 53.41 H new ATOM 120 N PRO A 27 -18.827 -10.407 -8.827 1.00 41.15 N ATOM 121 CA PRO A 27 -19.525 -11.633 -9.224 1.00 62.44 C ATOM 122 C PRO A 27 -19.119 -12.107 -10.616 1.00 24.24 C ATOM 123 O PRO A 27 -19.524 -11.528 -11.622 1.00 51.13 O ATOM 124 CB PRO A 27 -21.000 -11.223 -9.209 1.00 25.35 C ATOM 125 CG PRO A 27 -21.067 -10.090 -8.244 1.00 51.33 C ATOM 126 CD PRO A 27 -19.751 -9.385 -8.308 1.00 4.51 C ATOM 0 HA PRO A 27 -19.293 -12.466 -8.561 1.00 62.44 H new ATOM 0 HB2 PRO A 27 -21.337 -10.920 -10.200 1.00 25.35 H new ATOM 0 HB3 PRO A 27 -21.638 -12.049 -8.895 1.00 25.35 H new ATOM 0 HG2 PRO A 27 -21.881 -9.412 -8.501 1.00 51.33 H new ATOM 0 HG3 PRO A 27 -21.261 -10.454 -7.235 1.00 51.33 H new ATOM 0 HD2 PRO A 27 -19.795 -8.516 -8.964 1.00 4.51 H new ATOM 0 HD3 PRO A 27 -19.441 -9.028 -7.326 1.00 4.51 H new ATOM 134 N GLY A 28 -18.315 -13.165 -10.664 1.00 61.44 N ATOM 135 CA GLY A 28 -17.868 -13.699 -11.938 1.00 23.23 C ATOM 136 C GLY A 28 -16.364 -13.884 -11.993 1.00 32.01 C ATOM 137 O GLY A 28 -15.861 -14.710 -12.755 1.00 11.20 O ATOM 0 H GLY A 28 -17.965 -13.662 -9.844 1.00 61.44 H new ATOM 0 HA2 GLY A 28 -18.356 -14.657 -12.118 1.00 23.23 H new ATOM 0 HA3 GLY A 28 -18.178 -13.028 -12.739 1.00 23.23 H new ATOM 141 N ASP A 29 -15.645 -13.113 -11.185 1.00 40.10 N ATOM 142 CA ASP A 29 -14.190 -13.195 -11.145 1.00 45.13 C ATOM 143 C ASP A 29 -13.732 -14.245 -10.138 1.00 23.11 C ATOM 144 O ASP A 29 -14.179 -14.258 -8.991 1.00 34.23 O ATOM 145 CB ASP A 29 -13.590 -11.833 -10.789 1.00 72.54 C ATOM 146 CG ASP A 29 -14.332 -10.685 -11.445 1.00 20.21 C ATOM 147 OD1 ASP A 29 -14.684 -10.809 -12.637 1.00 22.10 O ATOM 148 OD2 ASP A 29 -14.562 -9.663 -10.766 1.00 24.04 O ATOM 0 H ASP A 29 -16.046 -12.424 -10.549 1.00 40.10 H new ATOM 0 HA ASP A 29 -13.841 -13.490 -12.134 1.00 45.13 H new ATOM 0 HB2 ASP A 29 -13.608 -11.703 -9.707 1.00 72.54 H new ATOM 0 HB3 ASP A 29 -12.544 -11.808 -11.095 1.00 72.54 H new ATOM 153 N THR A 30 -12.837 -15.126 -10.574 1.00 61.24 N ATOM 154 CA THR A 30 -12.320 -16.182 -9.712 1.00 51.44 C ATOM 155 C THR A 30 -10.844 -15.963 -9.401 1.00 21.43 C ATOM 156 O THR A 30 -10.110 -15.381 -10.200 1.00 21.15 O ATOM 157 CB THR A 30 -12.497 -17.570 -10.356 1.00 14.21 C ATOM 158 OG1 THR A 30 -12.282 -17.486 -11.769 1.00 53.21 O ATOM 159 CG2 THR A 30 -13.889 -18.120 -10.081 1.00 50.35 C ATOM 0 H THR A 30 -12.455 -15.129 -11.520 1.00 61.24 H new ATOM 0 HA THR A 30 -12.894 -16.144 -8.786 1.00 51.44 H new ATOM 0 HB THR A 30 -11.763 -18.246 -9.917 1.00 14.21 H new ATOM 0 HG1 THR A 30 -12.395 -18.373 -12.170 1.00 53.21 H new ATOM 0 HG21 THR A 30 -13.991 -19.101 -10.545 1.00 50.35 H new ATOM 0 HG22 THR A 30 -14.038 -18.211 -9.005 1.00 50.35 H new ATOM 0 HG23 THR A 30 -14.636 -17.443 -10.495 1.00 50.35 H new ATOM 167 N PHE A 31 -10.414 -16.435 -8.235 1.00 12.41 N ATOM 168 CA PHE A 31 -9.024 -16.291 -7.817 1.00 54.45 C ATOM 169 C PHE A 31 -8.076 -16.800 -8.899 1.00 31.11 C ATOM 170 O PHE A 31 -7.214 -16.065 -9.380 1.00 1.22 O ATOM 171 CB PHE A 31 -8.781 -17.049 -6.511 1.00 42.01 C ATOM 172 CG PHE A 31 -8.962 -16.202 -5.284 1.00 32.53 C ATOM 173 CD1 PHE A 31 -10.063 -15.371 -5.156 1.00 34.54 C ATOM 174 CD2 PHE A 31 -8.031 -16.237 -4.258 1.00 60.33 C ATOM 175 CE1 PHE A 31 -10.234 -14.591 -4.027 1.00 64.43 C ATOM 176 CE2 PHE A 31 -8.196 -15.460 -3.128 1.00 10.15 C ATOM 177 CZ PHE A 31 -9.298 -14.635 -3.012 1.00 61.14 C ATOM 0 H PHE A 31 -11.008 -16.920 -7.563 1.00 12.41 H new ATOM 0 HA PHE A 31 -8.827 -15.231 -7.655 1.00 54.45 H new ATOM 0 HB2 PHE A 31 -9.463 -17.898 -6.461 1.00 42.01 H new ATOM 0 HB3 PHE A 31 -7.769 -17.453 -6.518 1.00 42.01 H new ATOM 0 HD1 PHE A 31 -10.797 -15.332 -5.948 1.00 34.54 H new ATOM 0 HD2 PHE A 31 -7.167 -16.879 -4.343 1.00 60.33 H new ATOM 0 HE1 PHE A 31 -11.098 -13.949 -3.939 1.00 64.43 H new ATOM 0 HE2 PHE A 31 -7.464 -15.497 -2.335 1.00 10.15 H new ATOM 0 HZ PHE A 31 -9.427 -14.026 -2.130 1.00 61.14 H new ATOM 187 N TRP A 32 -8.242 -18.063 -9.275 1.00 52.34 N ATOM 188 CA TRP A 32 -7.401 -18.672 -10.300 1.00 1.44 C ATOM 189 C TRP A 32 -7.388 -17.825 -11.568 1.00 31.14 C ATOM 190 O TRP A 32 -6.326 -17.443 -12.059 1.00 75.42 O ATOM 191 CB TRP A 32 -7.893 -20.084 -10.620 1.00 20.15 C ATOM 192 CG TRP A 32 -6.894 -20.903 -11.379 1.00 60.33 C ATOM 193 CD1 TRP A 32 -5.602 -21.162 -11.019 1.00 13.11 C ATOM 194 CD2 TRP A 32 -7.105 -21.569 -12.629 1.00 43.23 C ATOM 195 NE1 TRP A 32 -4.997 -21.948 -11.970 1.00 34.14 N ATOM 196 CE2 TRP A 32 -5.898 -22.212 -12.967 1.00 71.32 C ATOM 197 CE3 TRP A 32 -8.196 -21.686 -13.495 1.00 4.42 C ATOM 198 CZ2 TRP A 32 -5.754 -22.959 -14.134 1.00 33.04 C ATOM 199 CZ3 TRP A 32 -8.051 -22.427 -14.652 1.00 52.21 C ATOM 200 CH2 TRP A 32 -6.839 -23.056 -14.963 1.00 24.42 C ATOM 0 H TRP A 32 -8.951 -18.685 -8.886 1.00 52.34 H new ATOM 0 HA TRP A 32 -6.384 -18.729 -9.913 1.00 1.44 H new ATOM 0 HB2 TRP A 32 -8.139 -20.595 -9.689 1.00 20.15 H new ATOM 0 HB3 TRP A 32 -8.813 -20.018 -11.200 1.00 20.15 H new ATOM 0 HD1 TRP A 32 -5.126 -20.802 -10.119 1.00 13.11 H new ATOM 0 HE1 TRP A 32 -4.033 -22.281 -11.938 1.00 34.14 H new ATOM 0 HE3 TRP A 32 -9.135 -21.206 -13.264 1.00 4.42 H new ATOM 0 HZ2 TRP A 32 -4.820 -23.444 -14.376 1.00 33.04 H new ATOM 0 HZ3 TRP A 32 -8.887 -22.523 -15.329 1.00 52.21 H new ATOM 0 HH2 TRP A 32 -6.759 -23.629 -15.875 1.00 24.42 H new ATOM 211 N ALA A 33 -8.574 -17.535 -12.092 1.00 51.13 N ATOM 212 CA ALA A 33 -8.698 -16.731 -13.302 1.00 73.30 C ATOM 213 C ALA A 33 -7.916 -15.428 -13.178 1.00 72.11 C ATOM 214 O ALA A 33 -7.048 -15.134 -14.000 1.00 51.14 O ATOM 215 CB ALA A 33 -10.163 -16.444 -13.597 1.00 11.03 C ATOM 0 H ALA A 33 -9.462 -17.845 -11.698 1.00 51.13 H new ATOM 0 HA ALA A 33 -8.276 -17.299 -14.131 1.00 73.30 H new ATOM 0 HB1 ALA A 33 -10.241 -15.843 -14.503 1.00 11.03 H new ATOM 0 HB2 ALA A 33 -10.697 -17.384 -13.738 1.00 11.03 H new ATOM 0 HB3 ALA A 33 -10.602 -15.899 -12.761 1.00 11.03 H new ATOM 221 N ILE A 34 -8.230 -14.651 -12.147 1.00 24.22 N ATOM 222 CA ILE A 34 -7.555 -13.380 -11.916 1.00 52.31 C ATOM 223 C ILE A 34 -6.048 -13.572 -11.787 1.00 70.23 C ATOM 224 O ILE A 34 -5.266 -12.708 -12.181 1.00 43.21 O ATOM 225 CB ILE A 34 -8.083 -12.685 -10.647 1.00 40.42 C ATOM 226 CG1 ILE A 34 -9.590 -12.445 -10.760 1.00 41.41 C ATOM 227 CG2 ILE A 34 -7.348 -11.373 -10.417 1.00 41.43 C ATOM 228 CD1 ILE A 34 -10.262 -12.189 -9.429 1.00 74.34 C ATOM 0 H ILE A 34 -8.947 -14.879 -11.459 1.00 24.22 H new ATOM 0 HA ILE A 34 -7.765 -12.750 -12.780 1.00 52.31 H new ATOM 0 HB ILE A 34 -7.901 -13.336 -9.792 1.00 40.42 H new ATOM 0 HG12 ILE A 34 -9.766 -11.593 -11.417 1.00 41.41 H new ATOM 0 HG13 ILE A 34 -10.054 -13.312 -11.231 1.00 41.41 H new ATOM 0 HG21 ILE A 34 -7.732 -10.894 -9.517 1.00 41.43 H new ATOM 0 HG22 ILE A 34 -6.282 -11.569 -10.297 1.00 41.43 H new ATOM 0 HG23 ILE A 34 -7.502 -10.715 -11.272 1.00 41.43 H new ATOM 0 HD11 ILE A 34 -11.329 -12.027 -9.585 1.00 74.34 H new ATOM 0 HD12 ILE A 34 -10.117 -13.050 -8.777 1.00 74.34 H new ATOM 0 HD13 ILE A 34 -9.825 -11.305 -8.965 1.00 74.34 H new ATOM 240 N ALA A 35 -5.648 -14.713 -11.235 1.00 2.34 N ATOM 241 CA ALA A 35 -4.234 -15.021 -11.057 1.00 53.03 C ATOM 242 C ALA A 35 -3.525 -15.137 -12.402 1.00 61.22 C ATOM 243 O ALA A 35 -2.603 -14.376 -12.695 1.00 71.41 O ATOM 244 CB ALA A 35 -4.070 -16.306 -10.259 1.00 53.12 C ATOM 0 H ALA A 35 -6.283 -15.439 -10.903 1.00 2.34 H new ATOM 0 HA ALA A 35 -3.776 -14.202 -10.503 1.00 53.03 H new ATOM 0 HB1 ALA A 35 -3.009 -16.524 -10.134 1.00 53.12 H new ATOM 0 HB2 ALA A 35 -4.534 -16.188 -9.280 1.00 53.12 H new ATOM 0 HB3 ALA A 35 -4.549 -17.128 -10.791 1.00 53.12 H new ATOM 250 N GLN A 36 -3.961 -16.094 -13.215 1.00 64.30 N ATOM 251 CA GLN A 36 -3.365 -16.310 -14.528 1.00 73.05 C ATOM 252 C GLN A 36 -3.458 -15.050 -15.382 1.00 54.41 C ATOM 253 O GLN A 36 -2.654 -14.842 -16.290 1.00 65.43 O ATOM 254 CB GLN A 36 -4.056 -17.474 -15.240 1.00 74.50 C ATOM 255 CG GLN A 36 -5.551 -17.270 -15.430 1.00 63.35 C ATOM 256 CD GLN A 36 -6.217 -18.446 -16.118 1.00 14.34 C ATOM 257 OE1 GLN A 36 -6.219 -18.542 -17.345 1.00 74.52 O ATOM 258 NE2 GLN A 36 -6.788 -19.348 -15.328 1.00 11.33 N ATOM 0 H GLN A 36 -4.724 -16.731 -12.988 1.00 64.30 H new ATOM 0 HA GLN A 36 -2.312 -16.554 -14.385 1.00 73.05 H new ATOM 0 HB2 GLN A 36 -3.591 -17.620 -16.215 1.00 74.50 H new ATOM 0 HB3 GLN A 36 -3.892 -18.387 -14.668 1.00 74.50 H new ATOM 0 HG2 GLN A 36 -6.018 -17.110 -14.458 1.00 63.35 H new ATOM 0 HG3 GLN A 36 -5.719 -16.367 -16.017 1.00 63.35 H new ATOM 0 HE21 GLN A 36 -6.762 -19.228 -14.315 1.00 11.33 H new ATOM 0 HE22 GLN A 36 -7.252 -20.161 -15.734 1.00 11.33 H new ATOM 267 N ARG A 37 -4.446 -14.211 -15.085 1.00 24.15 N ATOM 268 CA ARG A 37 -4.645 -12.972 -15.826 1.00 2.41 C ATOM 269 C ARG A 37 -3.710 -11.878 -15.317 1.00 53.24 C ATOM 270 O ARG A 37 -3.297 -10.999 -16.075 1.00 21.45 O ATOM 271 CB ARG A 37 -6.099 -12.510 -15.709 1.00 23.33 C ATOM 272 CG ARG A 37 -6.500 -11.489 -16.761 1.00 34.43 C ATOM 273 CD ARG A 37 -7.976 -11.136 -16.659 1.00 70.34 C ATOM 274 NE ARG A 37 -8.521 -10.691 -17.939 1.00 13.01 N ATOM 275 CZ ARG A 37 -9.654 -10.007 -18.057 1.00 2.20 C ATOM 276 NH1 ARG A 37 -10.357 -9.691 -16.978 1.00 42.22 N ATOM 277 NH2 ARG A 37 -10.085 -9.637 -19.256 1.00 41.21 N ATOM 0 H ARG A 37 -5.121 -14.368 -14.336 1.00 24.15 H new ATOM 0 HA ARG A 37 -4.415 -13.164 -16.874 1.00 2.41 H new ATOM 0 HB2 ARG A 37 -6.754 -13.377 -15.788 1.00 23.33 H new ATOM 0 HB3 ARG A 37 -6.256 -12.081 -14.720 1.00 23.33 H new ATOM 0 HG2 ARG A 37 -5.900 -10.587 -16.642 1.00 34.43 H new ATOM 0 HG3 ARG A 37 -6.287 -11.885 -17.754 1.00 34.43 H new ATOM 0 HD2 ARG A 37 -8.534 -12.005 -16.310 1.00 70.34 H new ATOM 0 HD3 ARG A 37 -8.111 -10.351 -15.915 1.00 70.34 H new ATOM 0 HE ARG A 37 -8.004 -10.918 -18.788 1.00 13.01 H new ATOM 0 HH11 ARG A 37 -10.028 -9.973 -16.055 1.00 42.22 H new ATOM 0 HH12 ARG A 37 -11.226 -9.166 -17.071 1.00 42.22 H new ATOM 0 HH21 ARG A 37 -9.546 -9.878 -20.088 1.00 41.21 H new ATOM 0 HH22 ARG A 37 -10.955 -9.112 -19.346 1.00 41.21 H new ATOM 291 N ARG A 38 -3.382 -11.938 -14.031 1.00 12.10 N ATOM 292 CA ARG A 38 -2.498 -10.952 -13.421 1.00 53.21 C ATOM 293 C ARG A 38 -1.073 -11.488 -13.319 1.00 74.14 C ATOM 294 O ARG A 38 -0.287 -11.036 -12.488 1.00 71.41 O ATOM 295 CB ARG A 38 -3.010 -10.567 -12.032 1.00 12.12 C ATOM 296 CG ARG A 38 -4.334 -9.820 -12.056 1.00 21.34 C ATOM 297 CD ARG A 38 -4.213 -8.495 -12.791 1.00 5.32 C ATOM 298 NE ARG A 38 -4.995 -7.441 -12.152 1.00 15.45 N ATOM 299 CZ ARG A 38 -5.223 -6.255 -12.706 1.00 73.21 C ATOM 300 NH1 ARG A 38 -4.731 -5.975 -13.905 1.00 3.23 N ATOM 301 NH2 ARG A 38 -5.946 -5.348 -12.062 1.00 4.33 N ATOM 0 H ARG A 38 -3.715 -12.659 -13.391 1.00 12.10 H new ATOM 0 HA ARG A 38 -2.490 -10.066 -14.056 1.00 53.21 H new ATOM 0 HB2 ARG A 38 -3.123 -11.470 -11.433 1.00 12.12 H new ATOM 0 HB3 ARG A 38 -2.262 -9.948 -11.537 1.00 12.12 H new ATOM 0 HG2 ARG A 38 -5.092 -10.437 -12.538 1.00 21.34 H new ATOM 0 HG3 ARG A 38 -4.671 -9.641 -11.035 1.00 21.34 H new ATOM 0 HD2 ARG A 38 -3.165 -8.196 -12.830 1.00 5.32 H new ATOM 0 HD3 ARG A 38 -4.547 -8.620 -13.821 1.00 5.32 H new ATOM 0 HE ARG A 38 -5.388 -7.625 -11.229 1.00 15.45 H new ATOM 0 HH11 ARG A 38 -4.176 -6.671 -14.404 1.00 3.23 H new ATOM 0 HH12 ARG A 38 -4.907 -5.064 -14.329 1.00 3.23 H new ATOM 0 HH21 ARG A 38 -6.328 -5.561 -11.140 1.00 4.33 H new ATOM 0 HH22 ARG A 38 -6.120 -4.438 -12.489 1.00 4.33 H new ATOM 315 N GLY A 39 -0.748 -12.456 -14.172 1.00 13.44 N ATOM 316 CA GLY A 39 0.581 -13.038 -14.161 1.00 11.02 C ATOM 317 C GLY A 39 0.999 -13.503 -12.780 1.00 73.40 C ATOM 318 O GLY A 39 2.187 -13.535 -12.460 1.00 4.44 O ATOM 0 H GLY A 39 -1.381 -12.847 -14.870 1.00 13.44 H new ATOM 0 HA2 GLY A 39 0.610 -13.882 -14.850 1.00 11.02 H new ATOM 0 HA3 GLY A 39 1.299 -12.304 -14.526 1.00 11.02 H new ATOM 322 N THR A 40 0.019 -13.865 -11.957 1.00 71.44 N ATOM 323 CA THR A 40 0.290 -14.328 -10.603 1.00 24.55 C ATOM 324 C THR A 40 -0.438 -15.636 -10.312 1.00 12.52 C ATOM 325 O THR A 40 -1.232 -16.110 -11.125 1.00 32.53 O ATOM 326 CB THR A 40 -0.126 -13.278 -9.556 1.00 0.03 C ATOM 327 OG1 THR A 40 0.348 -13.663 -8.260 1.00 54.23 O ATOM 328 CG2 THR A 40 -1.638 -13.118 -9.521 1.00 74.25 C ATOM 0 H THR A 40 -0.970 -13.846 -12.206 1.00 71.44 H new ATOM 0 HA THR A 40 1.366 -14.492 -10.535 1.00 24.55 H new ATOM 0 HB THR A 40 0.318 -12.323 -9.836 1.00 0.03 H new ATOM 0 HG1 THR A 40 0.081 -12.989 -7.600 1.00 54.23 H new ATOM 0 HG21 THR A 40 -1.908 -12.371 -8.774 1.00 74.25 H new ATOM 0 HG22 THR A 40 -1.993 -12.796 -10.500 1.00 74.25 H new ATOM 0 HG23 THR A 40 -2.099 -14.072 -9.263 1.00 74.25 H new ATOM 336 N THR A 41 -0.164 -16.214 -9.147 1.00 14.05 N ATOM 337 CA THR A 41 -0.794 -17.467 -8.749 1.00 3.14 C ATOM 338 C THR A 41 -1.710 -17.265 -7.548 1.00 14.44 C ATOM 339 O THR A 41 -1.518 -16.342 -6.755 1.00 71.14 O ATOM 340 CB THR A 41 0.257 -18.539 -8.403 1.00 44.51 C ATOM 341 OG1 THR A 41 1.431 -17.918 -7.865 1.00 73.53 O ATOM 342 CG2 THR A 41 0.626 -19.352 -9.635 1.00 4.53 C ATOM 0 H THR A 41 0.490 -15.835 -8.462 1.00 14.05 H new ATOM 0 HA THR A 41 -1.384 -17.808 -9.600 1.00 3.14 H new ATOM 0 HB THR A 41 -0.172 -19.211 -7.659 1.00 44.51 H new ATOM 0 HG1 THR A 41 2.094 -18.606 -7.646 1.00 73.53 H new ATOM 0 HG21 THR A 41 1.369 -20.103 -9.366 1.00 4.53 H new ATOM 0 HG22 THR A 41 -0.264 -19.846 -10.025 1.00 4.53 H new ATOM 0 HG23 THR A 41 1.037 -18.691 -10.398 1.00 4.53 H new ATOM 350 N VAL A 42 -2.708 -18.133 -7.418 1.00 32.35 N ATOM 351 CA VAL A 42 -3.654 -18.051 -6.311 1.00 52.22 C ATOM 352 C VAL A 42 -2.929 -17.990 -4.972 1.00 12.45 C ATOM 353 O VAL A 42 -3.351 -17.281 -4.057 1.00 73.24 O ATOM 354 CB VAL A 42 -4.618 -19.252 -6.306 1.00 72.13 C ATOM 355 CG1 VAL A 42 -3.842 -20.559 -6.259 1.00 31.55 C ATOM 356 CG2 VAL A 42 -5.586 -19.154 -5.136 1.00 45.34 C ATOM 0 H VAL A 42 -2.883 -18.901 -8.066 1.00 32.35 H new ATOM 0 HA VAL A 42 -4.228 -17.135 -6.452 1.00 52.22 H new ATOM 0 HB VAL A 42 -5.198 -19.234 -7.229 1.00 72.13 H new ATOM 0 HG11 VAL A 42 -4.540 -21.396 -6.256 1.00 31.55 H new ATOM 0 HG12 VAL A 42 -3.194 -20.629 -7.133 1.00 31.55 H new ATOM 0 HG13 VAL A 42 -3.235 -20.589 -5.354 1.00 31.55 H new ATOM 0 HG21 VAL A 42 -6.260 -20.011 -5.148 1.00 45.34 H new ATOM 0 HG22 VAL A 42 -5.027 -19.146 -4.201 1.00 45.34 H new ATOM 0 HG23 VAL A 42 -6.166 -18.235 -5.220 1.00 45.34 H new ATOM 366 N ASP A 43 -1.836 -18.736 -4.862 1.00 43.14 N ATOM 367 CA ASP A 43 -1.050 -18.766 -3.634 1.00 43.33 C ATOM 368 C ASP A 43 -0.557 -17.369 -3.270 1.00 53.53 C ATOM 369 O ASP A 43 -0.641 -16.951 -2.115 1.00 55.54 O ATOM 370 CB ASP A 43 0.139 -19.715 -3.788 1.00 25.24 C ATOM 371 CG ASP A 43 0.682 -20.183 -2.452 1.00 24.52 C ATOM 372 OD1 ASP A 43 1.914 -20.114 -2.254 1.00 53.20 O ATOM 373 OD2 ASP A 43 -0.124 -20.619 -1.604 1.00 11.22 O ATOM 0 H ASP A 43 -1.474 -19.329 -5.609 1.00 43.14 H new ATOM 0 HA ASP A 43 -1.692 -19.126 -2.830 1.00 43.33 H new ATOM 0 HB2 ASP A 43 -0.164 -20.580 -4.377 1.00 25.24 H new ATOM 0 HB3 ASP A 43 0.931 -19.213 -4.343 1.00 25.24 H new ATOM 378 N VAL A 44 -0.042 -16.651 -4.263 1.00 40.34 N ATOM 379 CA VAL A 44 0.464 -15.300 -4.048 1.00 62.50 C ATOM 380 C VAL A 44 -0.669 -14.334 -3.725 1.00 13.42 C ATOM 381 O VAL A 44 -0.582 -13.553 -2.776 1.00 64.51 O ATOM 382 CB VAL A 44 1.228 -14.784 -5.282 1.00 25.24 C ATOM 383 CG1 VAL A 44 1.748 -13.375 -5.037 1.00 75.54 C ATOM 384 CG2 VAL A 44 2.368 -15.728 -5.635 1.00 4.51 C ATOM 0 H VAL A 44 0.036 -16.982 -5.225 1.00 40.34 H new ATOM 0 HA VAL A 44 1.148 -15.349 -3.201 1.00 62.50 H new ATOM 0 HB VAL A 44 0.540 -14.750 -6.127 1.00 25.24 H new ATOM 0 HG11 VAL A 44 2.285 -13.027 -5.919 1.00 75.54 H new ATOM 0 HG12 VAL A 44 0.910 -12.708 -4.836 1.00 75.54 H new ATOM 0 HG13 VAL A 44 2.422 -13.380 -4.180 1.00 75.54 H new ATOM 0 HG21 VAL A 44 2.897 -15.348 -6.509 1.00 4.51 H new ATOM 0 HG22 VAL A 44 3.058 -15.796 -4.794 1.00 4.51 H new ATOM 0 HG23 VAL A 44 1.966 -16.717 -5.855 1.00 4.51 H new ATOM 394 N ILE A 45 -1.733 -14.391 -4.519 1.00 0.00 N ATOM 395 CA ILE A 45 -2.885 -13.521 -4.316 1.00 70.31 C ATOM 396 C ILE A 45 -3.388 -13.602 -2.879 1.00 12.21 C ATOM 397 O ILE A 45 -3.535 -12.583 -2.205 1.00 3.41 O ATOM 398 CB ILE A 45 -4.037 -13.881 -5.272 1.00 73.15 C ATOM 399 CG1 ILE A 45 -3.573 -13.777 -6.727 1.00 34.22 C ATOM 400 CG2 ILE A 45 -5.233 -12.973 -5.026 1.00 71.41 C ATOM 401 CD1 ILE A 45 -4.588 -14.292 -7.723 1.00 75.21 C ATOM 0 H ILE A 45 -1.821 -15.030 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.554 -12.504 -4.526 1.00 70.31 H new ATOM 0 HB ILE A 45 -4.341 -14.910 -5.080 1.00 73.15 H new ATOM 0 HG12 ILE A 45 -3.349 -12.735 -6.955 1.00 34.22 H new ATOM 0 HG13 ILE A 45 -2.645 -14.336 -6.845 1.00 34.22 H new ATOM 0 HG21 ILE A 45 -6.039 -13.240 -5.709 1.00 71.41 H new ATOM 0 HG22 ILE A 45 -5.575 -13.092 -3.998 1.00 71.41 H new ATOM 0 HG23 ILE A 45 -4.943 -11.936 -5.194 1.00 71.41 H new ATOM 0 HD11 ILE A 45 -4.192 -14.187 -8.733 1.00 75.21 H new ATOM 0 HD12 ILE A 45 -4.795 -15.343 -7.521 1.00 75.21 H new ATOM 0 HD13 ILE A 45 -5.510 -13.717 -7.633 1.00 75.21 H new ATOM 413 N GLN A 46 -3.649 -14.820 -2.416 1.00 71.24 N ATOM 414 CA GLN A 46 -4.135 -15.033 -1.058 1.00 62.42 C ATOM 415 C GLN A 46 -3.071 -14.653 -0.034 1.00 21.13 C ATOM 416 O GLN A 46 -3.370 -14.029 0.984 1.00 34.23 O ATOM 417 CB GLN A 46 -4.547 -16.494 -0.865 1.00 11.33 C ATOM 418 CG GLN A 46 -4.862 -16.851 0.579 1.00 41.11 C ATOM 419 CD GLN A 46 -5.827 -15.876 1.224 1.00 32.11 C ATOM 420 OE1 GLN A 46 -5.609 -15.420 2.347 1.00 41.53 O ATOM 421 NE2 GLN A 46 -6.903 -15.551 0.516 1.00 24.31 N ATOM 0 H GLN A 46 -3.532 -15.674 -2.961 1.00 71.24 H new ATOM 0 HA GLN A 46 -5.005 -14.394 -0.905 1.00 62.42 H new ATOM 0 HB2 GLN A 46 -5.422 -16.701 -1.481 1.00 11.33 H new ATOM 0 HB3 GLN A 46 -3.745 -17.139 -1.224 1.00 11.33 H new ATOM 0 HG2 GLN A 46 -5.286 -17.855 0.617 1.00 41.11 H new ATOM 0 HG3 GLN A 46 -3.936 -16.874 1.154 1.00 41.11 H new ATOM 0 HE21 GLN A 46 -7.044 -15.953 -0.411 1.00 24.31 H new ATOM 0 HE22 GLN A 46 -7.588 -14.900 0.899 1.00 24.31 H new ATOM 430 N SER A 47 -1.828 -15.034 -0.310 1.00 4.52 N ATOM 431 CA SER A 47 -0.719 -14.736 0.590 1.00 15.01 C ATOM 432 C SER A 47 -0.662 -13.245 0.907 1.00 53.32 C ATOM 433 O SER A 47 -0.415 -12.849 2.047 1.00 62.02 O ATOM 434 CB SER A 47 0.604 -15.188 -0.030 1.00 21.54 C ATOM 435 OG SER A 47 1.706 -14.584 0.624 1.00 4.21 O ATOM 0 H SER A 47 -1.563 -15.550 -1.149 1.00 4.52 H new ATOM 0 HA SER A 47 -0.881 -15.281 1.520 1.00 15.01 H new ATOM 0 HB2 SER A 47 0.688 -16.273 0.036 1.00 21.54 H new ATOM 0 HB3 SER A 47 0.620 -14.930 -1.089 1.00 21.54 H new ATOM 0 HG SER A 47 2.540 -14.890 0.210 1.00 4.21 H new ATOM 441 N LEU A 48 -0.893 -12.421 -0.110 1.00 23.31 N ATOM 442 CA LEU A 48 -0.868 -10.972 0.058 1.00 21.42 C ATOM 443 C LEU A 48 -2.009 -10.509 0.958 1.00 22.03 C ATOM 444 O LEU A 48 -1.920 -9.464 1.601 1.00 50.21 O ATOM 445 CB LEU A 48 -0.963 -10.280 -1.302 1.00 41.34 C ATOM 446 CG LEU A 48 0.361 -10.044 -2.029 1.00 44.43 C ATOM 447 CD1 LEU A 48 0.119 -9.778 -3.507 1.00 2.51 C ATOM 448 CD2 LEU A 48 1.119 -8.887 -1.394 1.00 45.15 C ATOM 0 H LEU A 48 -1.100 -12.732 -1.059 1.00 23.31 H new ATOM 0 HA LEU A 48 0.076 -10.702 0.531 1.00 21.42 H new ATOM 0 HB2 LEU A 48 -1.607 -10.878 -1.947 1.00 41.34 H new ATOM 0 HB3 LEU A 48 -1.455 -9.317 -1.164 1.00 41.34 H new ATOM 0 HG LEU A 48 0.969 -10.944 -1.938 1.00 44.43 H new ATOM 0 HD11 LEU A 48 1.073 -9.612 -4.008 1.00 2.51 H new ATOM 0 HD12 LEU A 48 -0.381 -10.637 -3.954 1.00 2.51 H new ATOM 0 HD13 LEU A 48 -0.508 -8.894 -3.620 1.00 2.51 H new ATOM 0 HD21 LEU A 48 2.059 -8.733 -1.924 1.00 45.15 H new ATOM 0 HD22 LEU A 48 0.516 -7.981 -1.454 1.00 45.15 H new ATOM 0 HD23 LEU A 48 1.325 -9.117 -0.349 1.00 45.15 H new ATOM 460 N ASN A 49 -3.079 -11.296 1.001 1.00 53.45 N ATOM 461 CA ASN A 49 -4.237 -10.967 1.824 1.00 55.34 C ATOM 462 C ASN A 49 -4.527 -12.081 2.825 1.00 55.14 C ATOM 463 O ASN A 49 -5.484 -12.843 2.684 1.00 54.45 O ATOM 464 CB ASN A 49 -5.464 -10.726 0.941 1.00 33.35 C ATOM 465 CG ASN A 49 -5.209 -9.687 -0.133 1.00 12.11 C ATOM 466 OD1 ASN A 49 -5.474 -8.500 0.060 1.00 32.33 O ATOM 467 ND2 ASN A 49 -4.692 -10.129 -1.273 1.00 70.51 N ATOM 0 H ASN A 49 -3.168 -12.166 0.476 1.00 53.45 H new ATOM 0 HA ASN A 49 -4.011 -10.056 2.378 1.00 55.34 H new ATOM 0 HB2 ASN A 49 -5.760 -11.664 0.472 1.00 33.35 H new ATOM 0 HB3 ASN A 49 -6.298 -10.403 1.564 1.00 33.35 H new ATOM 0 HD21 ASN A 49 -4.499 -9.476 -2.032 1.00 70.51 H new ATOM 0 HD22 ASN A 49 -4.488 -11.122 -1.389 1.00 70.51 H new ATOM 474 N PRO A 50 -3.682 -12.179 3.862 1.00 74.44 N ATOM 475 CA PRO A 50 -3.828 -13.196 4.907 1.00 22.25 C ATOM 476 C PRO A 50 -5.042 -12.946 5.795 1.00 53.42 C ATOM 477 O PRO A 50 -5.492 -13.836 6.514 1.00 31.52 O ATOM 478 CB PRO A 50 -2.536 -13.059 5.718 1.00 53.05 C ATOM 479 CG PRO A 50 -2.096 -11.654 5.493 1.00 2.31 C ATOM 480 CD PRO A 50 -2.520 -11.305 4.093 1.00 32.32 C ATOM 0 HA PRO A 50 -3.982 -14.190 4.488 1.00 22.25 H new ATOM 0 HB2 PRO A 50 -2.710 -13.255 6.776 1.00 53.05 H new ATOM 0 HB3 PRO A 50 -1.780 -13.769 5.382 1.00 53.05 H new ATOM 0 HG2 PRO A 50 -2.554 -10.981 6.218 1.00 2.31 H new ATOM 0 HG3 PRO A 50 -1.016 -11.560 5.608 1.00 2.31 H new ATOM 0 HD2 PRO A 50 -2.785 -10.252 4.004 1.00 32.32 H new ATOM 0 HD3 PRO A 50 -1.724 -11.495 3.373 1.00 32.32 H new ATOM 488 N GLY A 51 -5.570 -11.726 5.738 1.00 23.32 N ATOM 489 CA GLY A 51 -6.728 -11.381 6.542 1.00 42.15 C ATOM 490 C GLY A 51 -7.989 -12.079 6.071 1.00 3.41 C ATOM 491 O GLY A 51 -8.912 -12.302 6.854 1.00 72.22 O ATOM 0 H GLY A 51 -5.216 -10.971 5.150 1.00 23.32 H new ATOM 0 HA2 GLY A 51 -6.537 -11.646 7.582 1.00 42.15 H new ATOM 0 HA3 GLY A 51 -6.880 -10.302 6.511 1.00 42.15 H new ATOM 495 N VAL A 52 -8.029 -12.423 4.788 1.00 52.53 N ATOM 496 CA VAL A 52 -9.186 -13.098 4.213 1.00 35.35 C ATOM 497 C VAL A 52 -8.875 -14.560 3.911 1.00 52.34 C ATOM 498 O VAL A 52 -7.712 -14.950 3.812 1.00 61.40 O ATOM 499 CB VAL A 52 -9.656 -12.406 2.920 1.00 30.11 C ATOM 500 CG1 VAL A 52 -10.340 -11.085 3.239 1.00 20.52 C ATOM 501 CG2 VAL A 52 -8.484 -12.194 1.974 1.00 22.01 C ATOM 0 H VAL A 52 -7.273 -12.245 4.127 1.00 52.53 H new ATOM 0 HA VAL A 52 -9.984 -13.045 4.954 1.00 35.35 H new ATOM 0 HB VAL A 52 -10.381 -13.052 2.425 1.00 30.11 H new ATOM 0 HG11 VAL A 52 -10.665 -10.611 2.313 1.00 20.52 H new ATOM 0 HG12 VAL A 52 -11.205 -11.268 3.876 1.00 20.52 H new ATOM 0 HG13 VAL A 52 -9.640 -10.429 3.757 1.00 20.52 H new ATOM 0 HG21 VAL A 52 -8.834 -11.704 1.065 1.00 22.01 H new ATOM 0 HG22 VAL A 52 -7.734 -11.568 2.458 1.00 22.01 H new ATOM 0 HG23 VAL A 52 -8.043 -13.158 1.720 1.00 22.01 H new ATOM 511 N VAL A 53 -9.923 -15.364 3.763 1.00 32.12 N ATOM 512 CA VAL A 53 -9.762 -16.783 3.470 1.00 74.14 C ATOM 513 C VAL A 53 -10.692 -17.220 2.343 1.00 31.02 C ATOM 514 O VAL A 53 -11.726 -16.604 2.083 1.00 2.45 O ATOM 515 CB VAL A 53 -10.039 -17.648 4.713 1.00 22.54 C ATOM 516 CG1 VAL A 53 -8.850 -17.617 5.661 1.00 5.22 C ATOM 517 CG2 VAL A 53 -11.304 -17.181 5.417 1.00 51.13 C ATOM 0 H VAL A 53 -10.892 -15.057 3.841 1.00 32.12 H new ATOM 0 HA VAL A 53 -8.727 -16.927 3.160 1.00 74.14 H new ATOM 0 HB VAL A 53 -10.190 -18.678 4.390 1.00 22.54 H new ATOM 0 HG11 VAL A 53 -9.064 -18.234 6.534 1.00 5.22 H new ATOM 0 HG12 VAL A 53 -7.968 -18.004 5.151 1.00 5.22 H new ATOM 0 HG13 VAL A 53 -8.665 -16.591 5.979 1.00 5.22 H new ATOM 0 HG21 VAL A 53 -11.484 -17.804 6.293 1.00 51.13 H new ATOM 0 HG22 VAL A 53 -11.185 -16.143 5.728 1.00 51.13 H new ATOM 0 HG23 VAL A 53 -12.151 -17.261 4.735 1.00 51.13 H new ATOM 527 N PRO A 54 -10.318 -18.310 1.657 1.00 75.22 N ATOM 528 CA PRO A 54 -11.106 -18.855 0.547 1.00 61.30 C ATOM 529 C PRO A 54 -12.415 -19.480 1.017 1.00 51.10 C ATOM 530 O PRO A 54 -13.405 -19.499 0.284 1.00 0.45 O ATOM 531 CB PRO A 54 -10.187 -19.925 -0.048 1.00 44.34 C ATOM 532 CG PRO A 54 -9.298 -20.329 1.077 1.00 61.44 C ATOM 533 CD PRO A 54 -9.099 -19.095 1.912 1.00 42.23 C ATOM 0 HA PRO A 54 -11.399 -18.082 -0.163 1.00 61.30 H new ATOM 0 HB2 PRO A 54 -10.759 -20.773 -0.425 1.00 44.34 H new ATOM 0 HB3 PRO A 54 -9.611 -19.531 -0.886 1.00 44.34 H new ATOM 0 HG2 PRO A 54 -9.750 -21.128 1.664 1.00 61.44 H new ATOM 0 HG3 PRO A 54 -8.345 -20.706 0.705 1.00 61.44 H new ATOM 0 HD2 PRO A 54 -8.992 -19.338 2.969 1.00 42.23 H new ATOM 0 HD3 PRO A 54 -8.202 -18.551 1.617 1.00 42.23 H new ATOM 541 N THR A 55 -12.415 -19.991 2.244 1.00 22.03 N ATOM 542 CA THR A 55 -13.602 -20.617 2.812 1.00 72.12 C ATOM 543 C THR A 55 -14.745 -19.616 2.938 1.00 43.11 C ATOM 544 O THR A 55 -15.917 -19.985 2.863 1.00 42.32 O ATOM 545 CB THR A 55 -13.310 -21.223 4.198 1.00 50.43 C ATOM 546 OG1 THR A 55 -11.986 -21.766 4.226 1.00 64.25 O ATOM 547 CG2 THR A 55 -14.318 -22.311 4.536 1.00 4.01 C ATOM 0 H THR A 55 -11.605 -19.983 2.864 1.00 22.03 H new ATOM 0 HA THR A 55 -13.895 -21.415 2.130 1.00 72.12 H new ATOM 0 HB THR A 55 -13.392 -20.430 4.942 1.00 50.43 H new ATOM 0 HG1 THR A 55 -11.808 -22.148 5.111 1.00 64.25 H new ATOM 0 HG21 THR A 55 -14.092 -22.724 5.519 1.00 4.01 H new ATOM 0 HG22 THR A 55 -15.322 -21.887 4.543 1.00 4.01 H new ATOM 0 HG23 THR A 55 -14.263 -23.102 3.789 1.00 4.01 H new ATOM 555 N ARG A 56 -14.396 -18.348 3.129 1.00 3.12 N ATOM 556 CA ARG A 56 -15.393 -17.293 3.266 1.00 30.31 C ATOM 557 C ARG A 56 -15.403 -16.391 2.035 1.00 31.43 C ATOM 558 O ARG A 56 -15.305 -15.169 2.147 1.00 11.35 O ATOM 559 CB ARG A 56 -15.117 -16.461 4.519 1.00 11.35 C ATOM 560 CG ARG A 56 -14.819 -17.297 5.753 1.00 32.20 C ATOM 561 CD ARG A 56 -16.005 -18.171 6.133 1.00 4.44 C ATOM 562 NE ARG A 56 -17.235 -17.395 6.267 1.00 20.33 N ATOM 563 CZ ARG A 56 -17.504 -16.618 7.310 1.00 21.15 C ATOM 564 NH1 ARG A 56 -16.633 -16.513 8.305 1.00 15.00 N ATOM 565 NH2 ARG A 56 -18.646 -15.944 7.360 1.00 44.41 N ATOM 0 H ARG A 56 -13.430 -18.026 3.192 1.00 3.12 H new ATOM 0 HA ARG A 56 -16.372 -17.763 3.359 1.00 30.31 H new ATOM 0 HB2 ARG A 56 -14.273 -15.799 4.326 1.00 11.35 H new ATOM 0 HB3 ARG A 56 -15.980 -15.826 4.720 1.00 11.35 H new ATOM 0 HG2 ARG A 56 -13.948 -17.925 5.567 1.00 32.20 H new ATOM 0 HG3 ARG A 56 -14.567 -16.641 6.586 1.00 32.20 H new ATOM 0 HD2 ARG A 56 -16.144 -18.943 5.376 1.00 4.44 H new ATOM 0 HD3 ARG A 56 -15.793 -18.681 7.073 1.00 4.44 H new ATOM 0 HE ARG A 56 -17.925 -17.453 5.518 1.00 20.33 H new ATOM 0 HH11 ARG A 56 -15.754 -17.030 8.270 1.00 15.00 H new ATOM 0 HH12 ARG A 56 -16.842 -15.916 9.105 1.00 15.00 H new ATOM 0 HH21 ARG A 56 -19.318 -16.022 6.597 1.00 44.41 H new ATOM 0 HH22 ARG A 56 -18.852 -15.348 8.162 1.00 44.41 H new ATOM 579 N LEU A 57 -15.521 -17.002 0.862 1.00 75.43 N ATOM 580 CA LEU A 57 -15.544 -16.255 -0.391 1.00 61.20 C ATOM 581 C LEU A 57 -16.883 -15.550 -0.581 1.00 31.14 C ATOM 582 O LEU A 57 -17.940 -16.127 -0.327 1.00 21.25 O ATOM 583 CB LEU A 57 -15.276 -17.191 -1.571 1.00 21.22 C ATOM 584 CG LEU A 57 -14.722 -16.535 -2.836 1.00 4.12 C ATOM 585 CD1 LEU A 57 -13.856 -17.516 -3.611 1.00 4.04 C ATOM 586 CD2 LEU A 57 -15.855 -16.017 -3.709 1.00 15.04 C ATOM 0 H LEU A 57 -15.602 -18.013 0.752 1.00 75.43 H new ATOM 0 HA LEU A 57 -14.759 -15.499 -0.349 1.00 61.20 H new ATOM 0 HB2 LEU A 57 -14.574 -17.959 -1.247 1.00 21.22 H new ATOM 0 HB3 LEU A 57 -16.207 -17.697 -1.826 1.00 21.22 H new ATOM 0 HG LEU A 57 -14.102 -15.689 -2.541 1.00 4.12 H new ATOM 0 HD11 LEU A 57 -13.471 -17.031 -4.508 1.00 4.04 H new ATOM 0 HD12 LEU A 57 -13.023 -17.838 -2.986 1.00 4.04 H new ATOM 0 HD13 LEU A 57 -14.453 -18.383 -3.895 1.00 4.04 H new ATOM 0 HD21 LEU A 57 -15.441 -15.553 -4.605 1.00 15.04 H new ATOM 0 HD22 LEU A 57 -16.502 -16.846 -3.995 1.00 15.04 H new ATOM 0 HD23 LEU A 57 -16.435 -15.280 -3.153 1.00 15.04 H new ATOM 598 N GLN A 58 -16.830 -14.301 -1.030 1.00 43.44 N ATOM 599 CA GLN A 58 -18.039 -13.518 -1.255 1.00 52.14 C ATOM 600 C GLN A 58 -17.835 -12.512 -2.384 1.00 23.24 C ATOM 601 O GLN A 58 -16.880 -11.735 -2.371 1.00 64.42 O ATOM 602 CB GLN A 58 -18.446 -12.789 0.026 1.00 11.22 C ATOM 603 CG GLN A 58 -19.731 -11.987 -0.111 1.00 64.53 C ATOM 604 CD GLN A 58 -20.969 -12.820 0.154 1.00 72.34 C ATOM 605 OE1 GLN A 58 -21.023 -14.001 -0.191 1.00 23.32 O ATOM 606 NE2 GLN A 58 -21.974 -12.208 0.769 1.00 31.10 N ATOM 0 H GLN A 58 -15.963 -13.809 -1.245 1.00 43.44 H new ATOM 0 HA GLN A 58 -18.836 -14.203 -1.543 1.00 52.14 H new ATOM 0 HB2 GLN A 58 -18.567 -13.519 0.827 1.00 11.22 H new ATOM 0 HB3 GLN A 58 -17.640 -12.119 0.325 1.00 11.22 H new ATOM 0 HG2 GLN A 58 -19.707 -11.148 0.584 1.00 64.53 H new ATOM 0 HG3 GLN A 58 -19.788 -11.568 -1.116 1.00 64.53 H new ATOM 0 HE21 GLN A 58 -21.887 -11.228 1.037 1.00 31.10 H new ATOM 0 HE22 GLN A 58 -22.833 -12.718 0.973 1.00 31.10 H new ATOM 615 N VAL A 59 -18.738 -12.532 -3.359 1.00 20.24 N ATOM 616 CA VAL A 59 -18.657 -11.622 -4.494 1.00 52.54 C ATOM 617 C VAL A 59 -18.794 -10.171 -4.046 1.00 43.33 C ATOM 618 O VAL A 59 -19.585 -9.856 -3.158 1.00 63.12 O ATOM 619 CB VAL A 59 -19.746 -11.929 -5.539 1.00 72.32 C ATOM 620 CG1 VAL A 59 -19.611 -13.357 -6.047 1.00 11.21 C ATOM 621 CG2 VAL A 59 -21.129 -11.692 -4.952 1.00 34.20 C ATOM 0 H VAL A 59 -19.534 -13.169 -3.385 1.00 20.24 H new ATOM 0 HA VAL A 59 -17.677 -11.769 -4.947 1.00 52.54 H new ATOM 0 HB VAL A 59 -19.615 -11.254 -6.385 1.00 72.32 H new ATOM 0 HG11 VAL A 59 -20.389 -13.556 -6.784 1.00 11.21 H new ATOM 0 HG12 VAL A 59 -18.632 -13.488 -6.508 1.00 11.21 H new ATOM 0 HG13 VAL A 59 -19.716 -14.051 -5.213 1.00 11.21 H new ATOM 0 HG21 VAL A 59 -21.886 -11.914 -5.704 1.00 34.20 H new ATOM 0 HG22 VAL A 59 -21.274 -12.341 -4.089 1.00 34.20 H new ATOM 0 HG23 VAL A 59 -21.219 -10.651 -4.642 1.00 34.20 H new ATOM 631 N GLY A 60 -18.017 -9.289 -4.668 1.00 65.14 N ATOM 632 CA GLY A 60 -18.066 -7.881 -4.320 1.00 70.14 C ATOM 633 C GLY A 60 -17.113 -7.528 -3.195 1.00 74.14 C ATOM 634 O GLY A 60 -17.478 -6.802 -2.271 1.00 23.53 O ATOM 0 H GLY A 60 -17.354 -9.525 -5.407 1.00 65.14 H new ATOM 0 HA2 GLY A 60 -17.823 -7.284 -5.199 1.00 70.14 H new ATOM 0 HA3 GLY A 60 -19.082 -7.617 -4.027 1.00 70.14 H new ATOM 638 N GLN A 61 -15.891 -8.044 -3.274 1.00 1.34 N ATOM 639 CA GLN A 61 -14.884 -7.780 -2.252 1.00 74.10 C ATOM 640 C GLN A 61 -13.561 -7.364 -2.886 1.00 72.10 C ATOM 641 O GLN A 61 -13.123 -7.951 -3.875 1.00 71.44 O ATOM 642 CB GLN A 61 -14.678 -9.018 -1.378 1.00 62.41 C ATOM 643 CG GLN A 61 -13.792 -8.768 -0.168 1.00 73.20 C ATOM 644 CD GLN A 61 -13.773 -9.940 0.793 1.00 24.41 C ATOM 645 OE1 GLN A 61 -14.089 -9.795 1.974 1.00 33.11 O ATOM 646 NE2 GLN A 61 -13.400 -11.112 0.291 1.00 3.20 N ATOM 0 H GLN A 61 -15.574 -8.646 -4.034 1.00 1.34 H new ATOM 0 HA GLN A 61 -15.241 -6.960 -1.629 1.00 74.10 H new ATOM 0 HB2 GLN A 61 -15.649 -9.379 -1.039 1.00 62.41 H new ATOM 0 HB3 GLN A 61 -14.237 -9.810 -1.983 1.00 62.41 H new ATOM 0 HG2 GLN A 61 -12.776 -8.561 -0.503 1.00 73.20 H new ATOM 0 HG3 GLN A 61 -14.142 -7.879 0.356 1.00 73.20 H new ATOM 0 HE21 GLN A 61 -13.146 -11.187 -0.694 1.00 3.20 H new ATOM 0 HE22 GLN A 61 -13.367 -11.937 0.891 1.00 3.20 H new ATOM 655 N VAL A 62 -12.929 -6.347 -2.310 1.00 5.30 N ATOM 656 CA VAL A 62 -11.655 -5.852 -2.818 1.00 64.32 C ATOM 657 C VAL A 62 -10.484 -6.584 -2.171 1.00 43.34 C ATOM 658 O VAL A 62 -10.571 -7.023 -1.025 1.00 22.44 O ATOM 659 CB VAL A 62 -11.501 -4.340 -2.571 1.00 4.21 C ATOM 660 CG1 VAL A 62 -10.260 -3.807 -3.272 1.00 75.45 C ATOM 661 CG2 VAL A 62 -12.745 -3.596 -3.032 1.00 2.33 C ATOM 0 H VAL A 62 -13.278 -5.849 -1.491 1.00 5.30 H new ATOM 0 HA VAL A 62 -11.648 -6.039 -3.892 1.00 64.32 H new ATOM 0 HB VAL A 62 -11.382 -4.175 -1.500 1.00 4.21 H new ATOM 0 HG11 VAL A 62 -10.168 -2.737 -3.086 1.00 75.45 H new ATOM 0 HG12 VAL A 62 -9.377 -4.319 -2.889 1.00 75.45 H new ATOM 0 HG13 VAL A 62 -10.344 -3.983 -4.344 1.00 75.45 H new ATOM 0 HG21 VAL A 62 -12.619 -2.529 -2.850 1.00 2.33 H new ATOM 0 HG22 VAL A 62 -12.897 -3.767 -4.098 1.00 2.33 H new ATOM 0 HG23 VAL A 62 -13.612 -3.959 -2.479 1.00 2.33 H new ATOM 671 N ILE A 63 -9.389 -6.710 -2.914 1.00 51.30 N ATOM 672 CA ILE A 63 -8.200 -7.387 -2.412 1.00 42.50 C ATOM 673 C ILE A 63 -6.929 -6.709 -2.913 1.00 61.25 C ATOM 674 O ILE A 63 -6.986 -5.763 -3.698 1.00 21.22 O ATOM 675 CB ILE A 63 -8.177 -8.869 -2.830 1.00 11.24 C ATOM 676 CG1 ILE A 63 -8.235 -8.993 -4.354 1.00 3.25 C ATOM 677 CG2 ILE A 63 -9.335 -9.618 -2.188 1.00 13.34 C ATOM 678 CD1 ILE A 63 -7.509 -10.207 -4.889 1.00 32.42 C ATOM 0 H ILE A 63 -9.301 -6.352 -3.865 1.00 51.30 H new ATOM 0 HA ILE A 63 -8.237 -7.326 -1.324 1.00 42.50 H new ATOM 0 HB ILE A 63 -7.245 -9.315 -2.483 1.00 11.24 H new ATOM 0 HG12 ILE A 63 -9.278 -9.036 -4.668 1.00 3.25 H new ATOM 0 HG13 ILE A 63 -7.805 -8.096 -4.800 1.00 3.25 H new ATOM 0 HG21 ILE A 63 -9.305 -10.664 -2.493 1.00 13.34 H new ATOM 0 HG22 ILE A 63 -9.253 -9.554 -1.103 1.00 13.34 H new ATOM 0 HG23 ILE A 63 -10.278 -9.174 -2.508 1.00 13.34 H new ATOM 0 HD11 ILE A 63 -7.592 -10.231 -5.976 1.00 32.42 H new ATOM 0 HD12 ILE A 63 -6.458 -10.156 -4.606 1.00 32.42 H new ATOM 0 HD13 ILE A 63 -7.954 -11.110 -4.471 1.00 32.42 H new ATOM 690 N ASN A 64 -5.782 -7.202 -2.456 1.00 54.20 N ATOM 691 CA ASN A 64 -4.496 -6.645 -2.859 1.00 52.13 C ATOM 692 C ASN A 64 -3.792 -7.566 -3.851 1.00 43.51 C ATOM 693 O ASN A 64 -3.781 -8.785 -3.683 1.00 60.12 O ATOM 694 CB ASN A 64 -3.607 -6.421 -1.634 1.00 54.12 C ATOM 695 CG ASN A 64 -3.771 -5.032 -1.047 1.00 35.41 C ATOM 696 OD1 ASN A 64 -2.905 -4.173 -1.206 1.00 40.53 O ATOM 697 ND2 ASN A 64 -4.887 -4.808 -0.363 1.00 54.40 N ATOM 0 H ASN A 64 -5.717 -7.986 -1.807 1.00 54.20 H new ATOM 0 HA ASN A 64 -4.679 -5.687 -3.346 1.00 52.13 H new ATOM 0 HB2 ASN A 64 -3.847 -7.164 -0.874 1.00 54.12 H new ATOM 0 HB3 ASN A 64 -2.564 -6.574 -1.912 1.00 54.12 H new ATOM 0 HD21 ASN A 64 -5.053 -3.893 0.056 1.00 54.40 H new ATOM 0 HD22 ASN A 64 -5.578 -5.551 -0.257 1.00 54.40 H new ATOM 704 N VAL A 65 -3.203 -6.973 -4.885 1.00 53.23 N ATOM 705 CA VAL A 65 -2.495 -7.739 -5.904 1.00 3.43 C ATOM 706 C VAL A 65 -1.208 -7.036 -6.323 1.00 72.53 C ATOM 707 O VAL A 65 -1.062 -5.822 -6.188 1.00 11.51 O ATOM 708 CB VAL A 65 -3.373 -7.964 -7.149 1.00 30.12 C ATOM 709 CG1 VAL A 65 -4.387 -9.069 -6.894 1.00 51.21 C ATOM 710 CG2 VAL A 65 -4.069 -6.672 -7.550 1.00 70.43 C ATOM 0 H VAL A 65 -3.202 -5.965 -5.039 1.00 53.23 H new ATOM 0 HA VAL A 65 -2.251 -8.705 -5.462 1.00 3.43 H new ATOM 0 HB VAL A 65 -2.732 -8.275 -7.974 1.00 30.12 H new ATOM 0 HG11 VAL A 65 -4.999 -9.214 -7.784 1.00 51.21 H new ATOM 0 HG12 VAL A 65 -3.864 -9.996 -6.658 1.00 51.21 H new ATOM 0 HG13 VAL A 65 -5.026 -8.790 -6.056 1.00 51.21 H new ATOM 0 HG21 VAL A 65 -4.685 -6.849 -8.431 1.00 70.43 H new ATOM 0 HG22 VAL A 65 -4.699 -6.328 -6.730 1.00 70.43 H new ATOM 0 HG23 VAL A 65 -3.322 -5.911 -7.777 1.00 70.43 H new ATOM 720 N PRO A 66 -0.251 -7.818 -6.846 1.00 12.31 N ATOM 721 CA PRO A 66 1.041 -7.292 -7.297 1.00 73.23 C ATOM 722 C PRO A 66 0.912 -6.440 -8.555 1.00 63.24 C ATOM 723 O PRO A 66 0.829 -6.964 -9.667 1.00 35.24 O ATOM 724 CB PRO A 66 1.855 -8.555 -7.588 1.00 24.23 C ATOM 725 CG PRO A 66 0.838 -9.601 -7.889 1.00 22.24 C ATOM 726 CD PRO A 66 -0.357 -9.274 -7.037 1.00 1.12 C ATOM 0 HA PRO A 66 1.496 -6.636 -6.555 1.00 73.23 H new ATOM 0 HB2 PRO A 66 2.530 -8.405 -8.431 1.00 24.23 H new ATOM 0 HB3 PRO A 66 2.470 -8.835 -6.733 1.00 24.23 H new ATOM 0 HG2 PRO A 66 0.576 -9.597 -8.947 1.00 22.24 H new ATOM 0 HG3 PRO A 66 1.221 -10.595 -7.659 1.00 22.24 H new ATOM 0 HD2 PRO A 66 -1.290 -9.548 -7.531 1.00 1.12 H new ATOM 0 HD3 PRO A 66 -0.331 -9.807 -6.087 1.00 1.12 H new ATOM 734 N CYS A 67 0.898 -5.124 -8.374 1.00 52.11 N ATOM 735 CA CYS A 67 0.780 -4.198 -9.494 1.00 73.43 C ATOM 736 C CYS A 67 1.878 -4.447 -10.524 1.00 24.34 C ATOM 737 O CYS A 67 2.302 -3.530 -11.227 1.00 25.11 O ATOM 738 CB CYS A 67 0.848 -2.753 -8.998 1.00 45.20 C ATOM 739 SG CYS A 67 -0.041 -1.562 -10.052 1.00 3.05 S ATOM 0 H CYS A 67 0.967 -4.674 -7.461 1.00 52.11 H new ATOM 0 HA CYS A 67 -0.186 -4.366 -9.971 1.00 73.43 H new ATOM 0 HB2 CYS A 67 0.437 -2.707 -7.989 1.00 45.20 H new ATOM 0 HB3 CYS A 67 1.893 -2.452 -8.930 1.00 45.20 H new TER 744 CYS A 67