USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl 167:sc= 0 (180deg=-0.231) USER MOD Set 1.2: A 55 TYR OH : rot 70:sc= -0.268 USER MOD Set 2.1: A 31 SER OG : rot 148:sc= 0.343 USER MOD Set 2.2: A 59 TYR OH : rot 30:sc= 0.327 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.542 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 45 TYR OH : rot 30:sc= 0.412 USER MOD Single : A 46 TYR OH : rot 168:sc= 1.92 USER MOD Single : A 50 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.43) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= 1.03 (180deg=0.212) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -171:sc= 0 (180deg=-0.0487) USER MOD Single : A 72 ASN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 8.310 -11.698 10.486 1.00 0.00 N ATOM 2 CA GLY A 19 8.121 -10.232 10.516 1.00 0.00 C ATOM 3 C GLY A 19 8.563 -9.653 11.849 1.00 0.00 C ATOM 4 O GLY A 19 7.798 -9.664 12.811 1.00 0.00 O ATOM 0 HA2 GLY A 19 8.691 -9.772 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.072 -9.993 10.342 1.00 0.00 H new ATOM 10 N ASP A 20 9.806 -9.167 11.933 1.00 0.00 N ATOM 11 CA ASP A 20 10.426 -8.683 13.182 1.00 0.00 C ATOM 12 C ASP A 20 10.047 -7.236 13.564 1.00 0.00 C ATOM 13 O ASP A 20 10.199 -6.844 14.725 1.00 0.00 O ATOM 14 CB ASP A 20 11.954 -8.796 13.051 1.00 0.00 C ATOM 15 CG ASP A 20 12.418 -10.257 12.931 1.00 0.00 C ATOM 16 OD1 ASP A 20 12.624 -10.917 13.978 1.00 0.00 O ATOM 17 OD2 ASP A 20 12.576 -10.751 11.789 1.00 0.00 O ATOM 0 H ASP A 20 10.424 -9.096 11.125 1.00 0.00 H new ATOM 0 HA ASP A 20 10.041 -9.312 13.985 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.284 -8.238 12.175 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.427 -8.336 13.919 1.00 0.00 H new ATOM 22 N LYS A 21 9.564 -6.432 12.604 1.00 0.00 N ATOM 23 CA LYS A 21 9.178 -5.020 12.789 1.00 0.00 C ATOM 24 C LYS A 21 7.737 -4.872 13.308 1.00 0.00 C ATOM 25 O LYS A 21 6.930 -5.802 13.243 1.00 0.00 O ATOM 26 CB LYS A 21 9.371 -4.243 11.467 1.00 0.00 C ATOM 27 CG LYS A 21 10.835 -3.882 11.147 1.00 0.00 C ATOM 28 CD LYS A 21 11.686 -5.052 10.623 1.00 0.00 C ATOM 29 CE LYS A 21 13.076 -4.595 10.153 1.00 0.00 C ATOM 30 NZ LYS A 21 13.959 -4.204 11.286 1.00 0.00 N ATOM 0 H LYS A 21 9.426 -6.755 11.646 1.00 0.00 H new ATOM 0 HA LYS A 21 9.830 -4.595 13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.969 -4.839 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.785 -3.325 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.844 -3.083 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.303 -3.486 12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.798 -5.798 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.166 -5.536 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.548 -5.399 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.967 -3.750 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.884 -3.904 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.524 -3.418 11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.087 -5.016 11.923 1.00 0.00 H new ATOM 44 N GLU A 22 7.404 -3.675 13.793 1.00 0.00 N ATOM 45 CA GLU A 22 6.064 -3.286 14.265 1.00 0.00 C ATOM 46 C GLU A 22 5.097 -3.022 13.089 1.00 0.00 C ATOM 47 O GLU A 22 4.761 -1.880 12.768 1.00 0.00 O ATOM 48 CB GLU A 22 6.172 -2.063 15.199 1.00 0.00 C ATOM 49 CG GLU A 22 6.934 -2.331 16.507 1.00 0.00 C ATOM 50 CD GLU A 22 6.190 -3.329 17.418 1.00 0.00 C ATOM 51 OE1 GLU A 22 5.220 -2.925 18.105 1.00 0.00 O ATOM 52 OE2 GLU A 22 6.573 -4.524 17.461 1.00 0.00 O ATOM 0 H GLU A 22 8.082 -2.917 13.873 1.00 0.00 H new ATOM 0 HA GLU A 22 5.643 -4.117 14.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.668 -1.254 14.663 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.168 -1.716 15.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.925 -2.722 16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.078 -1.392 17.041 1.00 0.00 H new ATOM 59 N GLU A 23 4.641 -4.092 12.435 1.00 0.00 N ATOM 60 CA GLU A 23 3.647 -4.074 11.349 1.00 0.00 C ATOM 61 C GLU A 23 2.673 -5.266 11.429 1.00 0.00 C ATOM 62 O GLU A 23 2.989 -6.311 12.010 1.00 0.00 O ATOM 63 CB GLU A 23 4.357 -4.017 9.980 1.00 0.00 C ATOM 64 CG GLU A 23 5.265 -5.221 9.679 1.00 0.00 C ATOM 65 CD GLU A 23 5.967 -5.057 8.316 1.00 0.00 C ATOM 66 OE1 GLU A 23 7.030 -4.392 8.254 1.00 0.00 O ATOM 67 OE2 GLU A 23 5.470 -5.603 7.301 1.00 0.00 O ATOM 0 H GLU A 23 4.964 -5.035 12.653 1.00 0.00 H new ATOM 0 HA GLU A 23 3.042 -3.175 11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.602 -3.943 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.955 -3.107 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.012 -5.324 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.673 -6.136 9.679 1.00 0.00 H new ATOM 74 N CYS A 24 1.486 -5.126 10.829 1.00 0.00 N ATOM 75 CA CYS A 24 0.509 -6.215 10.703 1.00 0.00 C ATOM 76 C CYS A 24 0.977 -7.282 9.693 1.00 0.00 C ATOM 77 O CYS A 24 1.686 -6.976 8.730 1.00 0.00 O ATOM 78 CB CYS A 24 -0.837 -5.636 10.243 1.00 0.00 C ATOM 79 SG CYS A 24 -1.554 -4.325 11.272 1.00 0.00 S ATOM 0 H CYS A 24 1.173 -4.248 10.414 1.00 0.00 H new ATOM 0 HA CYS A 24 0.405 -6.693 11.677 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.712 -5.246 9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.556 -6.453 10.183 1.00 0.00 H new ATOM 84 N THR A 25 0.506 -8.524 9.857 1.00 0.00 N ATOM 85 CA THR A 25 0.679 -9.615 8.877 1.00 0.00 C ATOM 86 C THR A 25 -0.154 -9.396 7.594 1.00 0.00 C ATOM 87 O THR A 25 -0.786 -8.347 7.414 1.00 0.00 O ATOM 88 CB THR A 25 0.412 -10.979 9.551 1.00 0.00 C ATOM 89 OG1 THR A 25 0.933 -12.033 8.766 1.00 0.00 O ATOM 90 CG2 THR A 25 -1.065 -11.274 9.815 1.00 0.00 C ATOM 0 H THR A 25 -0.015 -8.809 10.686 1.00 0.00 H new ATOM 0 HA THR A 25 1.716 -9.612 8.540 1.00 0.00 H new ATOM 0 HB THR A 25 0.913 -10.914 10.517 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.756 -12.889 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.162 -12.250 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.477 -10.508 10.472 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.610 -11.274 8.871 1.00 0.00 H new ATOM 98 N VAL A 26 -0.140 -10.367 6.676 1.00 0.00 N ATOM 99 CA VAL A 26 -0.824 -10.345 5.370 1.00 0.00 C ATOM 100 C VAL A 26 -1.538 -11.695 5.123 1.00 0.00 C ATOM 101 O VAL A 26 -0.931 -12.746 5.358 1.00 0.00 O ATOM 102 CB VAL A 26 0.175 -10.063 4.226 1.00 0.00 C ATOM 103 CG1 VAL A 26 -0.547 -9.667 2.938 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.184 -8.942 4.523 1.00 0.00 C ATOM 0 H VAL A 26 0.373 -11.235 6.827 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.562 -9.543 5.386 1.00 0.00 H new ATOM 0 HB VAL A 26 0.715 -11.004 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.186 -9.476 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.208 -10.477 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.135 -8.766 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.846 -8.812 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.649 -8.012 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.774 -9.207 5.401 1.00 0.00 H new ATOM 114 N PRO A 27 -2.806 -11.708 4.661 1.00 0.00 N ATOM 115 CA PRO A 27 -3.571 -12.932 4.392 1.00 0.00 C ATOM 116 C PRO A 27 -3.121 -13.659 3.109 1.00 0.00 C ATOM 117 O PRO A 27 -2.490 -13.073 2.229 1.00 0.00 O ATOM 118 CB PRO A 27 -5.023 -12.455 4.262 1.00 0.00 C ATOM 119 CG PRO A 27 -4.863 -11.060 3.661 1.00 0.00 C ATOM 120 CD PRO A 27 -3.621 -10.537 4.376 1.00 0.00 C ATOM 0 HA PRO A 27 -3.426 -13.662 5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.608 -13.110 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.528 -12.425 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.725 -11.096 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.735 -10.434 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.080 -9.827 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.889 -10.014 5.294 1.00 0.00 H new ATOM 128 N ILE A 28 -3.500 -14.934 2.973 1.00 0.00 N ATOM 129 CA ILE A 28 -3.234 -15.772 1.787 1.00 0.00 C ATOM 130 C ILE A 28 -3.891 -15.159 0.530 1.00 0.00 C ATOM 131 O ILE A 28 -5.012 -14.645 0.594 1.00 0.00 O ATOM 132 CB ILE A 28 -3.709 -17.231 2.026 1.00 0.00 C ATOM 133 CG1 ILE A 28 -3.146 -17.846 3.335 1.00 0.00 C ATOM 134 CG2 ILE A 28 -3.287 -18.136 0.853 1.00 0.00 C ATOM 135 CD1 ILE A 28 -4.105 -17.743 4.530 1.00 0.00 C ATOM 0 H ILE A 28 -4.014 -15.430 3.701 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.158 -15.801 1.617 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.795 -17.180 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.910 -18.896 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.211 -17.346 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.628 -19.154 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.732 -17.766 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.201 -18.129 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.642 -18.194 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.322 -16.694 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.032 -18.268 4.299 1.00 0.00 H new ATOM 147 N GLY A 29 -3.206 -15.221 -0.621 1.00 0.00 N ATOM 148 CA GLY A 29 -3.686 -14.666 -1.899 1.00 0.00 C ATOM 149 C GLY A 29 -3.396 -13.167 -2.088 1.00 0.00 C ATOM 150 O GLY A 29 -4.135 -12.475 -2.792 1.00 0.00 O ATOM 0 H GLY A 29 -2.290 -15.664 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.225 -15.219 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.762 -14.828 -1.971 1.00 0.00 H new ATOM 154 N TRP A 30 -2.350 -12.659 -1.430 1.00 0.00 N ATOM 155 CA TRP A 30 -1.911 -11.258 -1.397 1.00 0.00 C ATOM 156 C TRP A 30 -1.452 -10.661 -2.743 1.00 0.00 C ATOM 157 O TRP A 30 -1.373 -11.334 -3.775 1.00 0.00 O ATOM 158 CB TRP A 30 -0.800 -11.151 -0.341 1.00 0.00 C ATOM 159 CG TRP A 30 0.374 -12.082 -0.460 1.00 0.00 C ATOM 160 CD1 TRP A 30 1.084 -12.366 -1.579 1.00 0.00 C ATOM 161 CD2 TRP A 30 0.993 -12.867 0.603 1.00 0.00 C ATOM 162 NE1 TRP A 30 2.091 -13.266 -1.277 1.00 0.00 N ATOM 163 CE2 TRP A 30 2.081 -13.608 0.058 1.00 0.00 C ATOM 164 CE3 TRP A 30 0.734 -13.022 1.977 1.00 0.00 C ATOM 165 CZ2 TRP A 30 2.876 -14.459 0.842 1.00 0.00 C ATOM 166 CZ3 TRP A 30 1.519 -13.875 2.778 1.00 0.00 C ATOM 167 CH2 TRP A 30 2.589 -14.592 2.213 1.00 0.00 C ATOM 0 H TRP A 30 -1.745 -13.256 -0.867 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.784 -10.656 -1.145 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -0.420 -10.130 -0.357 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.253 -11.307 0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.893 -11.953 -2.558 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.757 -13.631 -1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.082 -12.477 2.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.696 -15.004 0.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.298 -13.979 3.830 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.189 -15.244 2.831 1.00 0.00 H new ATOM 178 N SER A 31 -1.100 -9.374 -2.698 1.00 0.00 N ATOM 179 CA SER A 31 -0.623 -8.538 -3.812 1.00 0.00 C ATOM 180 C SER A 31 0.600 -7.702 -3.394 1.00 0.00 C ATOM 181 O SER A 31 0.568 -6.474 -3.292 1.00 0.00 O ATOM 182 CB SER A 31 -1.772 -7.681 -4.369 1.00 0.00 C ATOM 183 OG SER A 31 -2.505 -7.034 -3.338 1.00 0.00 O ATOM 0 H SER A 31 -1.142 -8.849 -1.825 1.00 0.00 H new ATOM 0 HA SER A 31 -0.287 -9.185 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.368 -6.932 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.445 -8.311 -4.951 1.00 0.00 H new ATOM 0 HG SER A 31 -2.832 -6.169 -3.663 1.00 0.00 H new ATOM 189 N GLU A 32 1.703 -8.399 -3.108 1.00 0.00 N ATOM 190 CA GLU A 32 2.996 -7.811 -2.716 1.00 0.00 C ATOM 191 C GLU A 32 3.609 -6.871 -3.789 1.00 0.00 C ATOM 192 O GLU A 32 3.313 -7.012 -4.983 1.00 0.00 O ATOM 193 CB GLU A 32 3.989 -8.914 -2.275 1.00 0.00 C ATOM 194 CG GLU A 32 3.909 -10.288 -2.963 1.00 0.00 C ATOM 195 CD GLU A 32 4.204 -10.260 -4.475 1.00 0.00 C ATOM 196 OE1 GLU A 32 5.393 -10.146 -4.862 1.00 0.00 O ATOM 197 OE2 GLU A 32 3.257 -10.430 -5.280 1.00 0.00 O ATOM 0 H GLU A 32 1.726 -9.418 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 32 2.794 -7.167 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.998 -8.529 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.857 -9.071 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.614 -10.964 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.913 -10.702 -2.807 1.00 0.00 H new ATOM 204 N PRO A 33 4.465 -5.902 -3.391 1.00 0.00 N ATOM 205 CA PRO A 33 5.079 -4.936 -4.308 1.00 0.00 C ATOM 206 C PRO A 33 6.167 -5.567 -5.196 1.00 0.00 C ATOM 207 O PRO A 33 6.631 -6.685 -4.958 1.00 0.00 O ATOM 208 CB PRO A 33 5.654 -3.838 -3.402 1.00 0.00 C ATOM 209 CG PRO A 33 6.027 -4.611 -2.140 1.00 0.00 C ATOM 210 CD PRO A 33 4.880 -5.614 -2.023 1.00 0.00 C ATOM 0 HA PRO A 33 4.346 -4.545 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.521 -3.354 -3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.922 -3.056 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.993 -5.107 -2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.089 -3.960 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.204 -6.521 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.055 -5.200 -1.443 1.00 0.00 H new ATOM 218 N VAL A 34 6.616 -4.813 -6.205 1.00 0.00 N ATOM 219 CA VAL A 34 7.610 -5.233 -7.214 1.00 0.00 C ATOM 220 C VAL A 34 8.673 -4.134 -7.367 1.00 0.00 C ATOM 221 O VAL A 34 8.909 -3.587 -8.446 1.00 0.00 O ATOM 222 CB VAL A 34 6.948 -5.643 -8.556 1.00 0.00 C ATOM 223 CG1 VAL A 34 7.930 -6.431 -9.438 1.00 0.00 C ATOM 224 CG2 VAL A 34 5.719 -6.548 -8.368 1.00 0.00 C ATOM 0 H VAL A 34 6.289 -3.858 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 34 8.111 -6.137 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 34 6.649 -4.703 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.440 -6.706 -10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.802 -5.813 -9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.245 -7.334 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.301 -6.800 -9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.015 -7.462 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.969 -6.024 -7.776 1.00 0.00 H new ATOM 234 N LYS A 35 9.305 -3.778 -6.241 1.00 0.00 N ATOM 235 CA LYS A 35 10.459 -2.868 -6.182 1.00 0.00 C ATOM 236 C LYS A 35 11.634 -3.420 -7.003 1.00 0.00 C ATOM 237 O LYS A 35 12.010 -4.586 -6.858 1.00 0.00 O ATOM 238 CB LYS A 35 10.876 -2.636 -4.716 1.00 0.00 C ATOM 239 CG LYS A 35 10.296 -1.336 -4.133 1.00 0.00 C ATOM 240 CD LYS A 35 10.992 -0.934 -2.818 1.00 0.00 C ATOM 241 CE LYS A 35 10.773 -1.907 -1.649 1.00 0.00 C ATOM 242 NZ LYS A 35 9.388 -1.839 -1.108 1.00 0.00 N ATOM 0 H LYS A 35 9.022 -4.122 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 35 10.169 -1.911 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.546 -3.480 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.964 -2.604 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.404 -0.532 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.228 -1.463 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.063 -0.845 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.636 0.053 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.981 -2.924 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.483 -1.681 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.289 -2.513 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.196 -0.876 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.710 -2.081 -1.859 1.00 0.00 H new ATOM 256 N GLY A 36 12.220 -2.573 -7.848 1.00 0.00 N ATOM 257 CA GLY A 36 13.329 -2.915 -8.745 1.00 0.00 C ATOM 258 C GLY A 36 14.011 -1.669 -9.309 1.00 0.00 C ATOM 259 O GLY A 36 13.736 -1.268 -10.440 1.00 0.00 O ATOM 0 H GLY A 36 11.929 -1.599 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.060 -3.516 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.956 -3.528 -9.566 1.00 0.00 H new ATOM 263 N LEU A 37 14.891 -1.050 -8.507 1.00 0.00 N ATOM 264 CA LEU A 37 15.640 0.182 -8.824 1.00 0.00 C ATOM 265 C LEU A 37 14.733 1.371 -9.232 1.00 0.00 C ATOM 266 O LEU A 37 15.105 2.202 -10.065 1.00 0.00 O ATOM 267 CB LEU A 37 16.757 -0.127 -9.851 1.00 0.00 C ATOM 268 CG LEU A 37 17.717 -1.272 -9.472 1.00 0.00 C ATOM 269 CD1 LEU A 37 18.700 -1.524 -10.616 1.00 0.00 C ATOM 270 CD2 LEU A 37 18.527 -0.961 -8.210 1.00 0.00 C ATOM 0 H LEU A 37 15.112 -1.408 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 37 16.118 0.526 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.290 -0.370 -10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.344 0.778 -10.005 1.00 0.00 H new ATOM 0 HG LEU A 37 17.100 -2.150 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.376 -2.334 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.149 -1.799 -11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.277 -0.619 -10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.188 -1.799 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.123 -0.063 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.848 -0.800 -7.372 1.00 0.00 H new ATOM 282 N CYS A 38 13.530 1.441 -8.649 1.00 0.00 N ATOM 283 CA CYS A 38 12.476 2.414 -8.963 1.00 0.00 C ATOM 284 C CYS A 38 12.918 3.882 -8.774 1.00 0.00 C ATOM 285 O CYS A 38 13.776 4.191 -7.942 1.00 0.00 O ATOM 286 CB CYS A 38 11.250 2.103 -8.085 1.00 0.00 C ATOM 287 SG CYS A 38 10.668 0.401 -8.360 1.00 0.00 S ATOM 0 H CYS A 38 13.252 0.792 -7.913 1.00 0.00 H new ATOM 0 HA CYS A 38 12.234 2.314 -10.021 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.507 2.238 -7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.448 2.806 -8.311 1.00 0.00 H new ATOM 0 HG CYS A 38 9.636 0.168 -7.605 1.00 0.00 H new ATOM 293 N LYS A 39 12.288 4.800 -9.521 1.00 0.00 N ATOM 294 CA LYS A 39 12.618 6.238 -9.597 1.00 0.00 C ATOM 295 C LYS A 39 11.397 7.103 -9.246 1.00 0.00 C ATOM 296 O LYS A 39 10.778 7.723 -10.114 1.00 0.00 O ATOM 297 CB LYS A 39 13.202 6.573 -10.990 1.00 0.00 C ATOM 298 CG LYS A 39 14.479 5.820 -11.416 1.00 0.00 C ATOM 299 CD LYS A 39 15.793 6.310 -10.780 1.00 0.00 C ATOM 300 CE LYS A 39 16.039 5.750 -9.373 1.00 0.00 C ATOM 301 NZ LYS A 39 17.378 6.141 -8.857 1.00 0.00 N ATOM 0 H LYS A 39 11.498 4.553 -10.117 1.00 0.00 H new ATOM 0 HA LYS A 39 13.383 6.470 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.431 6.380 -11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.414 7.642 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.353 4.765 -11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.574 5.890 -12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.626 6.029 -11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.780 7.399 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.266 6.114 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.959 4.663 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.512 5.746 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.115 5.773 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.444 7.178 -8.814 1.00 0.00 H new ATOM 315 N ALA A 40 11.058 7.139 -7.958 1.00 0.00 N ATOM 316 CA ALA A 40 10.009 7.985 -7.374 1.00 0.00 C ATOM 317 C ALA A 40 10.461 8.620 -6.041 1.00 0.00 C ATOM 318 O ALA A 40 11.426 8.169 -5.416 1.00 0.00 O ATOM 319 CB ALA A 40 8.738 7.141 -7.201 1.00 0.00 C ATOM 0 H ALA A 40 11.524 6.557 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 40 9.800 8.817 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.949 7.756 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.415 6.767 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.947 6.300 -6.540 1.00 0.00 H new ATOM 325 N ARG A 41 9.745 9.667 -5.602 1.00 0.00 N ATOM 326 CA ARG A 41 10.043 10.488 -4.407 1.00 0.00 C ATOM 327 C ARG A 41 8.839 10.671 -3.462 1.00 0.00 C ATOM 328 O ARG A 41 8.876 11.513 -2.564 1.00 0.00 O ATOM 329 CB ARG A 41 10.640 11.839 -4.853 1.00 0.00 C ATOM 330 CG ARG A 41 11.920 11.684 -5.697 1.00 0.00 C ATOM 331 CD ARG A 41 12.665 13.013 -5.897 1.00 0.00 C ATOM 332 NE ARG A 41 13.293 13.498 -4.649 1.00 0.00 N ATOM 333 CZ ARG A 41 14.437 13.106 -4.111 1.00 0.00 C ATOM 334 NH1 ARG A 41 15.192 12.196 -4.663 1.00 0.00 N ATOM 335 NH2 ARG A 41 14.851 13.623 -2.991 1.00 0.00 N ATOM 0 H ARG A 41 8.905 9.982 -6.088 1.00 0.00 H new ATOM 0 HA ARG A 41 10.777 9.946 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.895 12.386 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.864 12.440 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.585 10.969 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.660 11.268 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.432 12.886 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.968 13.765 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 41 12.783 14.222 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.907 11.760 -5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.067 11.921 -4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.293 14.336 -2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.734 13.315 -2.583 1.00 0.00 H new ATOM 349 N PHE A 42 7.771 9.895 -3.664 1.00 0.00 N ATOM 350 CA PHE A 42 6.491 9.969 -2.952 1.00 0.00 C ATOM 351 C PHE A 42 6.035 8.572 -2.496 1.00 0.00 C ATOM 352 O PHE A 42 5.689 7.705 -3.302 1.00 0.00 O ATOM 353 CB PHE A 42 5.444 10.698 -3.819 1.00 0.00 C ATOM 354 CG PHE A 42 5.110 10.059 -5.160 1.00 0.00 C ATOM 355 CD1 PHE A 42 5.922 10.298 -6.287 1.00 0.00 C ATOM 356 CD2 PHE A 42 3.981 9.223 -5.286 1.00 0.00 C ATOM 357 CE1 PHE A 42 5.624 9.689 -7.519 1.00 0.00 C ATOM 358 CE2 PHE A 42 3.686 8.611 -6.516 1.00 0.00 C ATOM 359 CZ PHE A 42 4.509 8.841 -7.631 1.00 0.00 C ATOM 0 H PHE A 42 7.776 9.157 -4.368 1.00 0.00 H new ATOM 0 HA PHE A 42 6.615 10.557 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.523 10.783 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.799 11.712 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.777 10.952 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.340 9.053 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.252 9.873 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.826 7.963 -6.604 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.285 8.366 -8.575 1.00 0.00 H new ATOM 369 N THR A 43 6.079 8.324 -1.188 1.00 0.00 N ATOM 370 CA THR A 43 5.569 7.089 -0.559 1.00 0.00 C ATOM 371 C THR A 43 4.034 7.018 -0.617 1.00 0.00 C ATOM 372 O THR A 43 3.361 8.052 -0.700 1.00 0.00 O ATOM 373 CB THR A 43 6.017 6.982 0.913 1.00 0.00 C ATOM 374 OG1 THR A 43 7.203 7.714 1.168 1.00 0.00 O ATOM 375 CG2 THR A 43 6.315 5.529 1.270 1.00 0.00 C ATOM 0 H THR A 43 6.475 8.982 -0.517 1.00 0.00 H new ATOM 0 HA THR A 43 5.987 6.257 -1.125 1.00 0.00 H new ATOM 0 HB THR A 43 5.199 7.386 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.449 7.620 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.630 5.468 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.417 4.928 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.111 5.152 0.627 1.00 0.00 H new ATOM 383 N ARG A 44 3.461 5.809 -0.536 1.00 0.00 N ATOM 384 CA ARG A 44 2.009 5.554 -0.570 1.00 0.00 C ATOM 385 C ARG A 44 1.609 4.416 0.386 1.00 0.00 C ATOM 386 O ARG A 44 2.470 3.688 0.886 1.00 0.00 O ATOM 387 CB ARG A 44 1.630 5.321 -2.051 1.00 0.00 C ATOM 388 CG ARG A 44 0.120 5.213 -2.310 1.00 0.00 C ATOM 389 CD ARG A 44 -0.294 5.729 -3.695 1.00 0.00 C ATOM 390 NE ARG A 44 0.280 4.917 -4.783 1.00 0.00 N ATOM 391 CZ ARG A 44 0.531 5.279 -6.027 1.00 0.00 C ATOM 392 NH1 ARG A 44 0.273 6.476 -6.474 1.00 0.00 N ATOM 393 NH2 ARG A 44 1.051 4.423 -6.857 1.00 0.00 N ATOM 0 H ARG A 44 4.009 4.954 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 44 1.439 6.406 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.031 6.139 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.112 4.407 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.186 4.171 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.415 5.776 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.381 5.723 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.028 6.764 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 44 0.513 3.953 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.139 7.174 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.483 6.715 -7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.263 3.475 -6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.246 4.700 -7.819 1.00 0.00 H new ATOM 407 N TYR A 45 0.312 4.263 0.664 1.00 0.00 N ATOM 408 CA TYR A 45 -0.224 3.263 1.602 1.00 0.00 C ATOM 409 C TYR A 45 -1.390 2.478 0.980 1.00 0.00 C ATOM 410 O TYR A 45 -2.173 3.026 0.200 1.00 0.00 O ATOM 411 CB TYR A 45 -0.643 3.918 2.933 1.00 0.00 C ATOM 412 CG TYR A 45 0.137 5.157 3.354 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.519 5.101 3.623 1.00 0.00 C ATOM 414 CD2 TYR A 45 -0.535 6.388 3.435 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.228 6.274 3.956 1.00 0.00 C ATOM 416 CE2 TYR A 45 0.164 7.562 3.766 1.00 0.00 C ATOM 417 CZ TYR A 45 1.549 7.511 4.022 1.00 0.00 C ATOM 418 OH TYR A 45 2.208 8.668 4.312 1.00 0.00 O ATOM 0 H TYR A 45 -0.412 4.840 0.237 1.00 0.00 H new ATOM 0 HA TYR A 45 0.574 2.552 1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.698 4.185 2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.553 3.173 3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.038 4.155 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.597 6.433 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.287 6.227 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.361 8.504 3.824 1.00 0.00 H new ATOM 0 HH TYR A 45 3.133 8.607 3.993 1.00 0.00 H new ATOM 428 N TYR A 46 -1.491 1.186 1.313 1.00 0.00 N ATOM 429 CA TYR A 46 -2.419 0.224 0.687 1.00 0.00 C ATOM 430 C TYR A 46 -3.002 -0.738 1.732 1.00 0.00 C ATOM 431 O TYR A 46 -2.261 -1.300 2.542 1.00 0.00 O ATOM 432 CB TYR A 46 -1.718 -0.601 -0.414 1.00 0.00 C ATOM 433 CG TYR A 46 -1.175 0.147 -1.626 1.00 0.00 C ATOM 434 CD1 TYR A 46 -0.087 1.034 -1.497 1.00 0.00 C ATOM 435 CD2 TYR A 46 -1.701 -0.109 -2.909 1.00 0.00 C ATOM 436 CE1 TYR A 46 0.446 1.686 -2.621 1.00 0.00 C ATOM 437 CE2 TYR A 46 -1.144 0.511 -4.044 1.00 0.00 C ATOM 438 CZ TYR A 46 -0.074 1.418 -3.900 1.00 0.00 C ATOM 439 OH TYR A 46 0.462 2.035 -4.984 1.00 0.00 O ATOM 0 H TYR A 46 -0.917 0.765 2.044 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.224 0.807 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.889 -1.138 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.424 -1.350 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.342 1.214 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.536 -0.785 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.254 2.392 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.537 0.292 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 46 0.130 1.607 -5.801 1.00 0.00 H new ATOM 449 N CYS A 47 -4.325 -0.938 1.720 1.00 0.00 N ATOM 450 CA CYS A 47 -5.028 -1.917 2.557 1.00 0.00 C ATOM 451 C CYS A 47 -4.980 -3.332 1.945 1.00 0.00 C ATOM 452 O CYS A 47 -5.638 -3.609 0.941 1.00 0.00 O ATOM 453 CB CYS A 47 -6.473 -1.464 2.822 1.00 0.00 C ATOM 454 SG CYS A 47 -7.311 -2.510 4.049 1.00 0.00 S ATOM 0 H CYS A 47 -4.952 -0.410 1.113 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.510 -1.971 3.515 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.469 -0.431 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.034 -1.483 1.888 1.00 0.00 H new ATOM 459 N MET A 48 -4.221 -4.239 2.572 1.00 0.00 N ATOM 460 CA MET A 48 -4.152 -5.670 2.210 1.00 0.00 C ATOM 461 C MET A 48 -5.412 -6.489 2.580 1.00 0.00 C ATOM 462 O MET A 48 -5.536 -7.641 2.163 1.00 0.00 O ATOM 463 CB MET A 48 -2.909 -6.292 2.873 1.00 0.00 C ATOM 464 CG MET A 48 -1.632 -6.088 2.048 1.00 0.00 C ATOM 465 SD MET A 48 -1.549 -7.123 0.554 1.00 0.00 S ATOM 466 CE MET A 48 0.228 -7.034 0.213 1.00 0.00 C ATOM 0 H MET A 48 -3.623 -3.999 3.363 1.00 0.00 H new ATOM 0 HA MET A 48 -4.088 -5.712 1.123 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.772 -5.853 3.861 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.076 -7.359 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.562 -5.040 1.757 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.767 -6.303 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.495 -7.790 -0.526 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.475 -6.045 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.784 -7.213 1.133 1.00 0.00 H new ATOM 476 N GLY A 49 -6.349 -5.921 3.351 1.00 0.00 N ATOM 477 CA GLY A 49 -7.609 -6.577 3.745 1.00 0.00 C ATOM 478 C GLY A 49 -8.291 -5.970 4.975 1.00 0.00 C ATOM 479 O GLY A 49 -9.518 -5.882 5.030 1.00 0.00 O ATOM 0 H GLY A 49 -6.254 -4.977 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.302 -6.535 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.408 -7.630 3.941 1.00 0.00 H new ATOM 483 N ASN A 50 -7.493 -5.542 5.956 1.00 0.00 N ATOM 484 CA ASN A 50 -7.935 -4.903 7.202 1.00 0.00 C ATOM 485 C ASN A 50 -6.978 -3.773 7.619 1.00 0.00 C ATOM 486 O ASN A 50 -7.402 -2.634 7.807 1.00 0.00 O ATOM 487 CB ASN A 50 -8.069 -5.999 8.282 1.00 0.00 C ATOM 488 CG ASN A 50 -8.462 -5.454 9.649 1.00 0.00 C ATOM 489 OD1 ASN A 50 -7.664 -4.859 10.358 1.00 0.00 O ATOM 490 ND2 ASN A 50 -9.687 -5.657 10.077 1.00 0.00 N ATOM 0 H ASN A 50 -6.479 -5.634 5.904 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.905 -4.427 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.814 -6.726 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.122 -6.531 8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.968 -5.319 10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.357 -6.153 9.489 1.00 0.00 H new ATOM 497 N CYS A 51 -5.685 -4.095 7.725 1.00 0.00 N ATOM 498 CA CYS A 51 -4.623 -3.203 8.196 1.00 0.00 C ATOM 499 C CYS A 51 -3.734 -2.773 7.024 1.00 0.00 C ATOM 500 O CYS A 51 -3.009 -3.597 6.453 1.00 0.00 O ATOM 501 CB CYS A 51 -3.833 -3.923 9.295 1.00 0.00 C ATOM 502 SG CYS A 51 -2.367 -3.046 9.906 1.00 0.00 S ATOM 0 H CYS A 51 -5.337 -5.021 7.475 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.046 -2.291 8.618 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.501 -4.108 10.136 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.521 -4.896 8.916 1.00 0.00 H new ATOM 507 N CYS A 52 -3.815 -1.495 6.642 1.00 0.00 N ATOM 508 CA CYS A 52 -2.954 -0.920 5.608 1.00 0.00 C ATOM 509 C CYS A 52 -1.516 -0.662 6.087 1.00 0.00 C ATOM 510 O CYS A 52 -1.272 -0.340 7.254 1.00 0.00 O ATOM 511 CB CYS A 52 -3.585 0.331 4.970 1.00 0.00 C ATOM 512 SG CYS A 52 -4.096 1.724 6.006 1.00 0.00 S ATOM 0 H CYS A 52 -4.479 -0.832 7.041 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.873 -1.678 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.872 0.716 4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.464 0.002 4.415 1.00 0.00 H new ATOM 517 N LYS A 53 -0.563 -0.811 5.158 1.00 0.00 N ATOM 518 CA LYS A 53 0.887 -0.631 5.352 1.00 0.00 C ATOM 519 C LYS A 53 1.471 0.310 4.297 1.00 0.00 C ATOM 520 O LYS A 53 0.791 0.693 3.342 1.00 0.00 O ATOM 521 CB LYS A 53 1.611 -1.998 5.326 1.00 0.00 C ATOM 522 CG LYS A 53 1.626 -2.735 6.670 1.00 0.00 C ATOM 523 CD LYS A 53 0.391 -3.625 6.862 1.00 0.00 C ATOM 524 CE LYS A 53 0.433 -4.910 6.028 1.00 0.00 C ATOM 525 NZ LYS A 53 -0.816 -5.700 6.200 1.00 0.00 N ATOM 0 H LYS A 53 -0.792 -1.074 4.199 1.00 0.00 H new ATOM 0 HA LYS A 53 1.043 -0.175 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.132 -2.635 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.639 -1.844 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.526 -3.347 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.676 -2.007 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.301 -3.887 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.501 -3.058 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.567 -4.660 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.292 -5.512 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.140 -6.043 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.630 -6.511 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.551 -5.099 6.624 1.00 0.00 H new ATOM 539 N VAL A 54 2.741 0.673 4.483 1.00 0.00 N ATOM 540 CA VAL A 54 3.541 1.440 3.519 1.00 0.00 C ATOM 541 C VAL A 54 3.979 0.558 2.342 1.00 0.00 C ATOM 542 O VAL A 54 4.482 -0.550 2.543 1.00 0.00 O ATOM 543 CB VAL A 54 4.736 2.111 4.231 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.908 1.183 4.575 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.283 3.259 3.391 1.00 0.00 C ATOM 0 H VAL A 54 3.258 0.437 5.330 1.00 0.00 H new ATOM 0 HA VAL A 54 2.924 2.234 3.099 1.00 0.00 H new ATOM 0 HB VAL A 54 4.317 2.454 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.692 1.755 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.562 0.390 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.304 0.743 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.124 3.720 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.616 2.877 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.501 4.002 3.237 1.00 0.00 H new ATOM 555 N TYR A 55 3.792 1.048 1.115 1.00 0.00 N ATOM 556 CA TYR A 55 4.248 0.399 -0.119 1.00 0.00 C ATOM 557 C TYR A 55 4.682 1.439 -1.167 1.00 0.00 C ATOM 558 O TYR A 55 4.352 2.624 -1.089 1.00 0.00 O ATOM 559 CB TYR A 55 3.141 -0.513 -0.687 1.00 0.00 C ATOM 560 CG TYR A 55 2.676 -1.646 0.218 1.00 0.00 C ATOM 561 CD1 TYR A 55 3.359 -2.876 0.207 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.570 -1.475 1.073 1.00 0.00 C ATOM 563 CE1 TYR A 55 2.953 -3.927 1.052 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.152 -2.523 1.920 1.00 0.00 C ATOM 565 CZ TYR A 55 1.848 -3.750 1.914 1.00 0.00 C ATOM 566 OH TYR A 55 1.462 -4.751 2.753 1.00 0.00 O ATOM 0 H TYR A 55 3.307 1.929 0.946 1.00 0.00 H new ATOM 0 HA TYR A 55 5.116 -0.214 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.278 0.107 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.499 -0.945 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.201 -3.015 -0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.038 -0.535 1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.485 -4.867 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.301 -2.386 2.571 1.00 0.00 H new ATOM 0 HH TYR A 55 2.133 -4.863 3.459 1.00 0.00 H new ATOM 576 N GLU A 56 5.421 0.988 -2.177 1.00 0.00 N ATOM 577 CA GLU A 56 5.840 1.779 -3.340 1.00 0.00 C ATOM 578 C GLU A 56 6.099 0.856 -4.547 1.00 0.00 C ATOM 579 O GLU A 56 6.478 -0.308 -4.378 1.00 0.00 O ATOM 580 CB GLU A 56 7.070 2.645 -2.993 1.00 0.00 C ATOM 581 CG GLU A 56 8.202 1.910 -2.255 1.00 0.00 C ATOM 582 CD GLU A 56 9.425 2.829 -2.076 1.00 0.00 C ATOM 583 OE1 GLU A 56 10.195 3.020 -3.048 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.637 3.351 -0.953 1.00 0.00 O ATOM 0 H GLU A 56 5.759 0.026 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 56 5.036 2.461 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.472 3.064 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.742 3.484 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.848 1.574 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.489 1.020 -2.815 1.00 0.00 H new ATOM 591 N GLY A 57 5.874 1.363 -5.764 1.00 0.00 N ATOM 592 CA GLY A 57 5.921 0.596 -7.017 1.00 0.00 C ATOM 593 C GLY A 57 4.744 0.896 -7.960 1.00 0.00 C ATOM 594 O GLY A 57 3.938 1.797 -7.718 1.00 0.00 O ATOM 0 H GLY A 57 5.647 2.347 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.856 0.814 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.927 -0.469 -6.783 1.00 0.00 H new ATOM 598 N CYS A 58 4.645 0.128 -9.048 1.00 0.00 N ATOM 599 CA CYS A 58 3.700 0.315 -10.163 1.00 0.00 C ATOM 600 C CYS A 58 2.220 -0.035 -9.869 1.00 0.00 C ATOM 601 O CYS A 58 1.392 -0.047 -10.780 1.00 0.00 O ATOM 602 CB CYS A 58 4.218 -0.500 -11.364 1.00 0.00 C ATOM 603 SG CYS A 58 5.908 0.008 -11.813 1.00 0.00 S ATOM 0 H CYS A 58 5.249 -0.682 -9.186 1.00 0.00 H new ATOM 0 HA CYS A 58 3.673 1.386 -10.366 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.206 -1.562 -11.120 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.553 -0.361 -12.217 1.00 0.00 H new ATOM 0 HG CYS A 58 6.318 -0.697 -12.825 1.00 0.00 H new ATOM 609 N TYR A 59 1.878 -0.343 -8.616 1.00 0.00 N ATOM 610 CA TYR A 59 0.551 -0.758 -8.152 1.00 0.00 C ATOM 611 C TYR A 59 -0.472 0.394 -8.238 1.00 0.00 C ATOM 612 O TYR A 59 -0.548 1.253 -7.360 1.00 0.00 O ATOM 613 CB TYR A 59 0.698 -1.320 -6.727 1.00 0.00 C ATOM 614 CG TYR A 59 -0.463 -2.109 -6.131 1.00 0.00 C ATOM 615 CD1 TYR A 59 -1.668 -2.346 -6.829 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.303 -2.638 -4.833 1.00 0.00 C ATOM 617 CE1 TYR A 59 -2.706 -3.085 -6.226 1.00 0.00 C ATOM 618 CE2 TYR A 59 -1.332 -3.387 -4.231 1.00 0.00 C ATOM 619 CZ TYR A 59 -2.541 -3.610 -4.925 1.00 0.00 C ATOM 620 OH TYR A 59 -3.535 -4.336 -4.346 1.00 0.00 O ATOM 0 H TYR A 59 2.557 -0.308 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 59 0.154 -1.538 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.577 -1.964 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.906 -0.483 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.795 -1.959 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.618 -2.467 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.630 -3.250 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.196 -3.791 -3.239 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.047 -4.802 -5.040 1.00 0.00 H new ATOM 630 N THR A 60 -1.260 0.417 -9.314 1.00 0.00 N ATOM 631 CA THR A 60 -2.228 1.477 -9.668 1.00 0.00 C ATOM 632 C THR A 60 -3.260 1.782 -8.568 1.00 0.00 C ATOM 633 O THR A 60 -3.574 2.947 -8.316 1.00 0.00 O ATOM 634 CB THR A 60 -2.965 1.090 -10.967 1.00 0.00 C ATOM 635 OG1 THR A 60 -2.047 0.660 -11.956 1.00 0.00 O ATOM 636 CG2 THR A 60 -3.772 2.235 -11.582 1.00 0.00 C ATOM 0 H THR A 60 -1.246 -0.337 -10.001 1.00 0.00 H new ATOM 0 HA THR A 60 -1.644 2.388 -9.801 1.00 0.00 H new ATOM 0 HB THR A 60 -3.649 0.295 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.534 0.418 -12.771 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.262 1.887 -12.492 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.526 2.572 -10.870 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.104 3.062 -11.823 1.00 0.00 H new ATOM 644 N GLY A 61 -3.797 0.752 -7.902 1.00 0.00 N ATOM 645 CA GLY A 61 -4.919 0.848 -6.954 1.00 0.00 C ATOM 646 C GLY A 61 -4.526 1.227 -5.518 1.00 0.00 C ATOM 647 O GLY A 61 -4.819 0.476 -4.586 1.00 0.00 O ATOM 0 H GLY A 61 -3.453 -0.202 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.628 1.587 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.439 -0.110 -6.931 1.00 0.00 H new ATOM 651 N GLY A 62 -3.881 2.384 -5.337 1.00 0.00 N ATOM 652 CA GLY A 62 -3.475 2.933 -4.031 1.00 0.00 C ATOM 653 C GLY A 62 -4.397 4.035 -3.486 1.00 0.00 C ATOM 654 O GLY A 62 -5.303 4.512 -4.176 1.00 0.00 O ATOM 0 H GLY A 62 -3.617 2.986 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.435 2.120 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.465 3.333 -4.118 1.00 0.00 H new ATOM 658 N TYR A 63 -4.137 4.466 -2.247 1.00 0.00 N ATOM 659 CA TYR A 63 -4.834 5.557 -1.542 1.00 0.00 C ATOM 660 C TYR A 63 -3.942 6.812 -1.436 1.00 0.00 C ATOM 661 O TYR A 63 -2.718 6.703 -1.531 1.00 0.00 O ATOM 662 CB TYR A 63 -5.229 5.058 -0.144 1.00 0.00 C ATOM 663 CG TYR A 63 -6.217 3.904 -0.129 1.00 0.00 C ATOM 664 CD1 TYR A 63 -5.756 2.572 -0.165 1.00 0.00 C ATOM 665 CD2 TYR A 63 -7.601 4.160 -0.088 1.00 0.00 C ATOM 666 CE1 TYR A 63 -6.672 1.501 -0.151 1.00 0.00 C ATOM 667 CE2 TYR A 63 -8.519 3.094 -0.055 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.059 1.761 -0.086 1.00 0.00 C ATOM 669 OH TYR A 63 -8.957 0.738 -0.069 1.00 0.00 O ATOM 0 H TYR A 63 -3.401 4.047 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.724 5.839 -2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.326 4.750 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.657 5.890 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.695 2.371 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.959 5.179 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.314 0.483 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.579 3.297 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.866 1.101 -0.021 1.00 0.00 H new ATOM 679 N SER A 64 -4.511 8.006 -1.224 1.00 0.00 N ATOM 680 CA SER A 64 -3.715 9.249 -1.132 1.00 0.00 C ATOM 681 C SER A 64 -3.048 9.442 0.238 1.00 0.00 C ATOM 682 O SER A 64 -1.889 9.858 0.307 1.00 0.00 O ATOM 683 CB SER A 64 -4.553 10.484 -1.491 1.00 0.00 C ATOM 684 OG SER A 64 -5.484 10.819 -0.475 1.00 0.00 O ATOM 0 H SER A 64 -5.516 8.143 -1.113 1.00 0.00 H new ATOM 0 HA SER A 64 -2.916 9.139 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.890 11.331 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.087 10.299 -2.423 1.00 0.00 H new ATOM 0 HG SER A 64 -5.993 11.611 -0.746 1.00 0.00 H new ATOM 690 N ARG A 65 -3.764 9.120 1.324 1.00 0.00 N ATOM 691 CA ARG A 65 -3.356 9.277 2.734 1.00 0.00 C ATOM 692 C ARG A 65 -3.780 8.077 3.580 1.00 0.00 C ATOM 693 O ARG A 65 -4.678 7.319 3.214 1.00 0.00 O ATOM 694 CB ARG A 65 -3.969 10.574 3.305 1.00 0.00 C ATOM 695 CG ARG A 65 -3.247 11.868 2.897 1.00 0.00 C ATOM 696 CD ARG A 65 -2.034 12.211 3.781 1.00 0.00 C ATOM 697 NE ARG A 65 -0.822 11.401 3.519 1.00 0.00 N ATOM 698 CZ ARG A 65 0.020 11.501 2.502 1.00 0.00 C ATOM 699 NH1 ARG A 65 -0.178 12.329 1.515 1.00 0.00 N ATOM 700 NH2 ARG A 65 1.103 10.778 2.461 1.00 0.00 N ATOM 0 H ARG A 65 -4.698 8.719 1.241 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.268 9.336 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.009 10.639 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.975 10.507 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.916 11.777 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.956 12.695 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.787 13.263 3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.318 12.086 4.826 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.610 10.678 4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.004 12.928 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.493 12.378 0.748 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.310 10.126 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.744 10.864 1.672 1.00 0.00 H new ATOM 714 N MET A 66 -3.158 7.927 4.750 1.00 0.00 N ATOM 715 CA MET A 66 -3.403 6.798 5.657 1.00 0.00 C ATOM 716 C MET A 66 -4.818 6.828 6.261 1.00 0.00 C ATOM 717 O MET A 66 -5.420 5.779 6.489 1.00 0.00 O ATOM 718 CB MET A 66 -2.301 6.770 6.723 1.00 0.00 C ATOM 719 CG MET A 66 -2.372 5.514 7.601 1.00 0.00 C ATOM 720 SD MET A 66 -0.919 5.237 8.654 1.00 0.00 S ATOM 721 CE MET A 66 0.274 4.663 7.411 1.00 0.00 C ATOM 0 H MET A 66 -2.465 8.588 5.100 1.00 0.00 H new ATOM 0 HA MET A 66 -3.362 5.868 5.089 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.327 6.816 6.236 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.385 7.656 7.353 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.256 5.581 8.236 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.507 4.645 6.957 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.171 4.297 7.910 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.170 3.858 6.825 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.538 5.489 6.751 1.00 0.00 H new ATOM 731 N GLY A 67 -5.396 8.024 6.424 1.00 0.00 N ATOM 732 CA GLY A 67 -6.798 8.201 6.816 1.00 0.00 C ATOM 733 C GLY A 67 -7.800 7.614 5.816 1.00 0.00 C ATOM 734 O GLY A 67 -8.882 7.189 6.222 1.00 0.00 O ATOM 0 H GLY A 67 -4.899 8.904 6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.955 7.735 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.000 9.265 6.936 1.00 0.00 H new ATOM 738 N GLU A 68 -7.458 7.549 4.523 1.00 0.00 N ATOM 739 CA GLU A 68 -8.269 6.864 3.509 1.00 0.00 C ATOM 740 C GLU A 68 -8.152 5.336 3.618 1.00 0.00 C ATOM 741 O GLU A 68 -9.176 4.650 3.656 1.00 0.00 O ATOM 742 CB GLU A 68 -7.890 7.266 2.080 1.00 0.00 C ATOM 743 CG GLU A 68 -8.054 8.748 1.728 1.00 0.00 C ATOM 744 CD GLU A 68 -8.071 8.945 0.194 1.00 0.00 C ATOM 745 OE1 GLU A 68 -7.321 8.242 -0.530 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.870 9.781 -0.294 1.00 0.00 O ATOM 0 H GLU A 68 -6.608 7.972 4.150 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.294 7.175 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.850 6.987 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.495 6.680 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.980 9.129 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.238 9.324 2.165 1.00 0.00 H new ATOM 753 N CYS A 69 -6.926 4.793 3.662 1.00 0.00 N ATOM 754 CA CYS A 69 -6.706 3.339 3.696 1.00 0.00 C ATOM 755 C CYS A 69 -7.213 2.685 4.991 1.00 0.00 C ATOM 756 O CYS A 69 -7.489 1.486 5.005 1.00 0.00 O ATOM 757 CB CYS A 69 -5.236 2.998 3.406 1.00 0.00 C ATOM 758 SG CYS A 69 -3.987 3.291 4.695 1.00 0.00 S ATOM 0 H CYS A 69 -6.067 5.343 3.675 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.310 2.907 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.191 1.942 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.936 3.563 2.524 1.00 0.00 H new ATOM 763 N ALA A 70 -7.396 3.476 6.052 1.00 0.00 N ATOM 764 CA ALA A 70 -8.151 3.126 7.246 1.00 0.00 C ATOM 765 C ALA A 70 -9.672 3.157 6.994 1.00 0.00 C ATOM 766 O ALA A 70 -10.307 2.104 7.030 1.00 0.00 O ATOM 767 CB ALA A 70 -7.723 4.081 8.369 1.00 0.00 C ATOM 0 H ALA A 70 -7.003 4.416 6.099 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.931 2.099 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.273 3.842 9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.654 3.971 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.937 5.108 8.074 1.00 0.00 H new ATOM 773 N ARG A 71 -10.279 4.329 6.728 1.00 0.00 N ATOM 774 CA ARG A 71 -11.753 4.496 6.690 1.00 0.00 C ATOM 775 C ARG A 71 -12.479 3.637 5.643 1.00 0.00 C ATOM 776 O ARG A 71 -13.636 3.273 5.850 1.00 0.00 O ATOM 777 CB ARG A 71 -12.137 5.986 6.565 1.00 0.00 C ATOM 778 CG ARG A 71 -12.003 6.554 5.140 1.00 0.00 C ATOM 779 CD ARG A 71 -12.254 8.066 5.069 1.00 0.00 C ATOM 780 NE ARG A 71 -11.213 8.830 5.782 1.00 0.00 N ATOM 781 CZ ARG A 71 -11.145 10.139 5.936 1.00 0.00 C ATOM 782 NH1 ARG A 71 -12.013 10.947 5.396 1.00 0.00 N ATOM 783 NH2 ARG A 71 -10.191 10.670 6.646 1.00 0.00 N ATOM 0 H ARG A 71 -9.766 5.189 6.533 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.107 4.114 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.166 6.114 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -11.508 6.570 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -11.003 6.340 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.708 6.043 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.285 8.380 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.230 8.293 5.499 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.461 8.285 6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.777 10.573 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.929 11.954 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.491 10.073 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.144 11.682 6.761 1.00 0.00 H new ATOM 797 N ASN A 72 -11.811 3.302 4.534 1.00 0.00 N ATOM 798 CA ASN A 72 -12.340 2.423 3.481 1.00 0.00 C ATOM 799 C ASN A 72 -12.216 0.916 3.806 1.00 0.00 C ATOM 800 O ASN A 72 -12.756 0.088 3.069 1.00 0.00 O ATOM 801 CB ASN A 72 -11.643 2.762 2.152 1.00 0.00 C ATOM 802 CG ASN A 72 -12.077 4.110 1.602 1.00 0.00 C ATOM 803 OD1 ASN A 72 -13.117 4.248 0.974 1.00 0.00 O ATOM 804 ND2 ASN A 72 -11.301 5.145 1.819 1.00 0.00 N ATOM 0 H ASN A 72 -10.869 3.640 4.338 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.411 2.610 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.563 2.763 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.863 1.985 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.565 6.064 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.433 5.031 2.343 1.00 0.00 H new ATOM 811 N CYS A 73 -11.536 0.550 4.899 1.00 0.00 N ATOM 812 CA CYS A 73 -11.282 -0.827 5.334 1.00 0.00 C ATOM 813 C CYS A 73 -11.875 -1.132 6.735 1.00 0.00 C ATOM 814 O CYS A 73 -12.242 -0.214 7.474 1.00 0.00 O ATOM 815 CB CYS A 73 -9.764 -1.080 5.250 1.00 0.00 C ATOM 816 SG CYS A 73 -9.299 -2.115 3.831 1.00 0.00 S ATOM 0 H CYS A 73 -11.129 1.238 5.533 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.798 -1.522 4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.244 -0.124 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.429 -1.560 6.169 1.00 0.00 H new ATOM 821 N PRO A 74 -11.988 -2.421 7.126 1.00 0.00 N ATOM 822 CA PRO A 74 -12.581 -2.832 8.407 1.00 0.00 C ATOM 823 C PRO A 74 -11.681 -2.618 9.644 1.00 0.00 C ATOM 824 O PRO A 74 -12.142 -2.824 10.772 1.00 0.00 O ATOM 825 CB PRO A 74 -12.941 -4.309 8.220 1.00 0.00 C ATOM 826 CG PRO A 74 -11.936 -4.806 7.185 1.00 0.00 C ATOM 827 CD PRO A 74 -11.736 -3.588 6.289 1.00 0.00 C ATOM 0 HA PRO A 74 -13.444 -2.204 8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.857 -4.862 9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.966 -4.429 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.002 -5.123 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.320 -5.659 6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.724 -3.565 5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.419 -3.613 5.440 1.00 0.00 H new ATOM 835 N GLY A 75 -10.417 -2.212 9.457 1.00 0.00 N ATOM 836 CA GLY A 75 -9.437 -1.908 10.516 1.00 0.00 C ATOM 837 C GLY A 75 -9.545 -0.479 11.053 1.00 0.00 C ATOM 838 O GLY A 75 -10.173 -0.286 12.118 1.00 0.00 O ATOM 839 OXT GLY A 75 -8.978 0.436 10.418 1.00 0.00 O ATOM 0 H GLY A 75 -10.030 -2.080 8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.574 -2.609 11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.431 -2.067 10.126 1.00 0.00 H new TER 843 GLY A 75