USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 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 161:sc= 0 (180deg=-0.398) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00023 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0479 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.0154 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -28:sc= 0.0395 USER MOD Single : A 66 MET CE :methyl -164:sc=-0.00603 (180deg=-0.341) USER MOD Single : A 72 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 23 5.508 -4.120 11.551 1.00 0.00 N ATOM 60 CA GLU A 23 4.885 -4.787 10.399 1.00 0.00 C ATOM 61 C GLU A 23 3.408 -5.164 10.652 1.00 0.00 C ATOM 62 O GLU A 23 2.874 -4.955 11.746 1.00 0.00 O ATOM 63 CB GLU A 23 5.735 -6.008 9.980 1.00 0.00 C ATOM 64 CG GLU A 23 5.785 -7.134 11.023 1.00 0.00 C ATOM 65 CD GLU A 23 6.660 -8.303 10.528 1.00 0.00 C ATOM 66 OE1 GLU A 23 6.134 -9.208 9.835 1.00 0.00 O ATOM 67 OE2 GLU A 23 7.877 -8.334 10.835 1.00 0.00 O ATOM 0 HA GLU A 23 4.863 -4.078 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.337 -6.410 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.752 -5.674 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.183 -6.748 11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.776 -7.491 11.227 1.00 0.00 H new ATOM 74 N CYS A 24 2.747 -5.724 9.636 1.00 0.00 N ATOM 75 CA CYS A 24 1.373 -6.234 9.674 1.00 0.00 C ATOM 76 C CYS A 24 1.271 -7.549 8.871 1.00 0.00 C ATOM 77 O CYS A 24 2.048 -7.772 7.937 1.00 0.00 O ATOM 78 CB CYS A 24 0.444 -5.148 9.104 1.00 0.00 C ATOM 79 SG CYS A 24 -1.322 -5.549 9.177 1.00 0.00 S ATOM 0 H CYS A 24 3.177 -5.840 8.718 1.00 0.00 H new ATOM 0 HA CYS A 24 1.074 -6.460 10.698 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.615 -4.220 9.649 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.718 -4.963 8.065 1.00 0.00 H new ATOM 84 N THR A 25 0.313 -8.418 9.213 1.00 0.00 N ATOM 85 CA THR A 25 -0.005 -9.636 8.443 1.00 0.00 C ATOM 86 C THR A 25 -0.652 -9.312 7.085 1.00 0.00 C ATOM 87 O THR A 25 -1.103 -8.188 6.847 1.00 0.00 O ATOM 88 CB THR A 25 -0.881 -10.587 9.280 1.00 0.00 C ATOM 89 OG1 THR A 25 -0.919 -11.860 8.671 1.00 0.00 O ATOM 90 CG2 THR A 25 -2.321 -10.108 9.480 1.00 0.00 C ATOM 0 H THR A 25 -0.272 -8.298 10.040 1.00 0.00 H new ATOM 0 HA THR A 25 0.934 -10.144 8.221 1.00 0.00 H new ATOM 0 HB THR A 25 -0.416 -10.620 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.476 -12.463 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.867 -10.836 10.080 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.317 -9.146 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.806 -10.000 8.510 1.00 0.00 H new ATOM 98 N VAL A 26 -0.707 -10.295 6.182 1.00 0.00 N ATOM 99 CA VAL A 26 -1.278 -10.185 4.825 1.00 0.00 C ATOM 100 C VAL A 26 -1.957 -11.517 4.427 1.00 0.00 C ATOM 101 O VAL A 26 -1.361 -12.578 4.639 1.00 0.00 O ATOM 102 CB VAL A 26 -0.199 -9.814 3.780 1.00 0.00 C ATOM 103 CG1 VAL A 26 -0.832 -9.292 2.489 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.802 -8.736 4.227 1.00 0.00 C ATOM 0 H VAL A 26 -0.343 -11.227 6.378 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.019 -9.386 4.840 1.00 0.00 H new ATOM 0 HB VAL A 26 0.338 -10.751 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.048 -9.040 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.477 -10.061 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.423 -8.403 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.516 -8.548 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.266 -7.816 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.335 -9.079 5.114 1.00 0.00 H new ATOM 114 N PRO A 27 -3.186 -11.506 3.871 1.00 0.00 N ATOM 115 CA PRO A 27 -3.943 -12.711 3.510 1.00 0.00 C ATOM 116 C PRO A 27 -3.433 -13.391 2.227 1.00 0.00 C ATOM 117 O PRO A 27 -2.734 -12.785 1.413 1.00 0.00 O ATOM 118 CB PRO A 27 -5.386 -12.222 3.326 1.00 0.00 C ATOM 119 CG PRO A 27 -5.196 -10.799 2.807 1.00 0.00 C ATOM 120 CD PRO A 27 -3.990 -10.324 3.613 1.00 0.00 C ATOM 0 HA PRO A 27 -3.841 -13.473 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.936 -12.841 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.942 -12.240 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.003 -10.779 1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.075 -10.179 2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.420 -9.579 3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.305 -9.856 4.546 1.00 0.00 H new ATOM 128 N ILE A 28 -3.834 -14.647 2.012 1.00 0.00 N ATOM 129 CA ILE A 28 -3.498 -15.454 0.825 1.00 0.00 C ATOM 130 C ILE A 28 -3.992 -14.763 -0.464 1.00 0.00 C ATOM 131 O ILE A 28 -5.106 -14.231 -0.507 1.00 0.00 O ATOM 132 CB ILE A 28 -4.072 -16.890 0.957 1.00 0.00 C ATOM 133 CG1 ILE A 28 -3.650 -17.598 2.273 1.00 0.00 C ATOM 134 CG2 ILE A 28 -3.607 -17.766 -0.223 1.00 0.00 C ATOM 135 CD1 ILE A 28 -4.662 -17.452 3.419 1.00 0.00 C ATOM 0 H ILE A 28 -4.420 -15.151 2.678 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.413 -15.537 0.760 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.156 -16.776 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.499 -18.658 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.690 -17.196 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.018 -18.770 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.955 -17.330 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.518 -17.819 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.291 -17.975 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.796 -16.396 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.617 -17.881 3.118 1.00 0.00 H new ATOM 147 N GLY A 29 -3.173 -14.782 -1.524 1.00 0.00 N ATOM 148 CA GLY A 29 -3.494 -14.177 -2.827 1.00 0.00 C ATOM 149 C GLY A 29 -3.231 -12.664 -2.909 1.00 0.00 C ATOM 150 O GLY A 29 -3.921 -11.957 -3.650 1.00 0.00 O ATOM 0 H GLY A 29 -2.254 -15.225 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.910 -14.677 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.544 -14.363 -3.051 1.00 0.00 H new ATOM 154 N TRP A 30 -2.274 -12.157 -2.125 1.00 0.00 N ATOM 155 CA TRP A 30 -1.916 -10.739 -1.997 1.00 0.00 C ATOM 156 C TRP A 30 -1.361 -10.068 -3.268 1.00 0.00 C ATOM 157 O TRP A 30 -1.108 -10.702 -4.297 1.00 0.00 O ATOM 158 CB TRP A 30 -0.931 -10.594 -0.828 1.00 0.00 C ATOM 159 CG TRP A 30 0.374 -11.341 -0.889 1.00 0.00 C ATOM 160 CD1 TRP A 30 1.279 -11.331 -1.895 1.00 0.00 C ATOM 161 CD2 TRP A 30 0.953 -12.191 0.146 1.00 0.00 C ATOM 162 NE1 TRP A 30 2.373 -12.103 -1.544 1.00 0.00 N ATOM 163 CE2 TRP A 30 2.215 -12.676 -0.303 1.00 0.00 C ATOM 164 CE3 TRP A 30 0.538 -12.583 1.432 1.00 0.00 C ATOM 165 CZ2 TRP A 30 3.015 -13.526 0.477 1.00 0.00 C ATOM 166 CZ3 TRP A 30 1.324 -13.439 2.228 1.00 0.00 C ATOM 167 CH2 TRP A 30 2.560 -13.914 1.751 1.00 0.00 C ATOM 0 H TRP A 30 -1.698 -12.755 -1.532 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.847 -10.203 -1.812 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -0.701 -9.534 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.448 -10.904 0.081 1.00 0.00 H new ATOM 0 HD1 TRP A 30 1.165 -10.801 -2.829 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.196 -12.231 -2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.403 -12.220 1.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.966 -13.877 0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.977 -13.732 3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.158 -14.575 2.361 1.00 0.00 H new ATOM 178 N SER A 31 -1.117 -8.759 -3.149 1.00 0.00 N ATOM 179 CA SER A 31 -0.523 -7.868 -4.160 1.00 0.00 C ATOM 180 C SER A 31 0.599 -7.017 -3.541 1.00 0.00 C ATOM 181 O SER A 31 0.517 -5.791 -3.452 1.00 0.00 O ATOM 182 CB SER A 31 -1.605 -6.996 -4.816 1.00 0.00 C ATOM 183 OG SER A 31 -2.505 -7.787 -5.580 1.00 0.00 O ATOM 0 H SER A 31 -1.342 -8.258 -2.290 1.00 0.00 H new ATOM 0 HA SER A 31 -0.075 -8.479 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.155 -6.454 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.136 -6.250 -5.458 1.00 0.00 H new ATOM 0 HG SER A 31 -3.185 -7.209 -5.986 1.00 0.00 H new ATOM 189 N GLU A 32 1.653 -7.689 -3.074 1.00 0.00 N ATOM 190 CA GLU A 32 2.878 -7.075 -2.534 1.00 0.00 C ATOM 191 C GLU A 32 3.651 -6.240 -3.592 1.00 0.00 C ATOM 192 O GLU A 32 3.512 -6.497 -4.796 1.00 0.00 O ATOM 193 CB GLU A 32 3.764 -8.185 -1.924 1.00 0.00 C ATOM 194 CG GLU A 32 4.354 -9.161 -2.957 1.00 0.00 C ATOM 195 CD GLU A 32 5.154 -10.306 -2.303 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.058 -10.041 -1.474 1.00 0.00 O ATOM 197 OE2 GLU A 32 4.898 -11.489 -2.641 1.00 0.00 O ATOM 0 H GLU A 32 1.683 -8.708 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 32 2.594 -6.365 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.581 -7.720 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.174 -8.750 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.546 -9.583 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.003 -8.613 -3.640 1.00 0.00 H new ATOM 204 N PRO A 33 4.485 -5.260 -3.183 1.00 0.00 N ATOM 205 CA PRO A 33 5.290 -4.452 -4.107 1.00 0.00 C ATOM 206 C PRO A 33 6.455 -5.225 -4.757 1.00 0.00 C ATOM 207 O PRO A 33 6.782 -6.355 -4.385 1.00 0.00 O ATOM 208 CB PRO A 33 5.790 -3.265 -3.274 1.00 0.00 C ATOM 209 CG PRO A 33 5.839 -3.819 -1.853 1.00 0.00 C ATOM 210 CD PRO A 33 4.647 -4.772 -1.818 1.00 0.00 C ATOM 0 HA PRO A 33 4.686 -4.137 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.771 -2.927 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.117 -2.411 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.777 -4.337 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.747 -3.029 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.826 -5.596 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.747 -4.260 -1.477 1.00 0.00 H new ATOM 218 N VAL A 34 7.116 -4.573 -5.721 1.00 0.00 N ATOM 219 CA VAL A 34 8.212 -5.103 -6.564 1.00 0.00 C ATOM 220 C VAL A 34 9.522 -4.300 -6.391 1.00 0.00 C ATOM 221 O VAL A 34 10.406 -4.300 -7.250 1.00 0.00 O ATOM 222 CB VAL A 34 7.698 -5.231 -8.020 1.00 0.00 C ATOM 223 CG1 VAL A 34 7.522 -3.882 -8.732 1.00 0.00 C ATOM 224 CG2 VAL A 34 8.535 -6.177 -8.889 1.00 0.00 C ATOM 0 H VAL A 34 6.893 -3.605 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 34 8.495 -6.104 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 34 6.710 -5.677 -7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.160 -4.050 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.801 -3.274 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.480 -3.363 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.115 -6.215 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.561 -5.813 -8.939 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.525 -7.176 -8.453 1.00 0.00 H new ATOM 234 N LYS A 35 9.639 -3.578 -5.265 1.00 0.00 N ATOM 235 CA LYS A 35 10.724 -2.641 -4.916 1.00 0.00 C ATOM 236 C LYS A 35 12.140 -3.250 -4.909 1.00 0.00 C ATOM 237 O LYS A 35 12.321 -4.467 -4.834 1.00 0.00 O ATOM 238 CB LYS A 35 10.387 -1.969 -3.567 1.00 0.00 C ATOM 239 CG LYS A 35 10.490 -2.905 -2.349 1.00 0.00 C ATOM 240 CD LYS A 35 10.048 -2.181 -1.067 1.00 0.00 C ATOM 241 CE LYS A 35 10.179 -3.061 0.186 1.00 0.00 C ATOM 242 NZ LYS A 35 11.596 -3.292 0.576 1.00 0.00 N ATOM 0 H LYS A 35 8.937 -3.635 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 35 10.768 -1.900 -5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.058 -1.123 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.375 -1.568 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.868 -3.786 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.516 -3.255 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.648 -1.280 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.012 -1.861 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.650 -2.589 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.695 -4.020 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.629 -3.891 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.097 -3.767 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.054 -2.380 0.777 1.00 0.00 H new ATOM 256 N GLY A 36 13.144 -2.369 -4.919 1.00 0.00 N ATOM 257 CA GLY A 36 14.576 -2.686 -4.793 1.00 0.00 C ATOM 258 C GLY A 36 15.500 -1.779 -5.620 1.00 0.00 C ATOM 259 O GLY A 36 16.640 -1.536 -5.216 1.00 0.00 O ATOM 0 H GLY A 36 12.977 -1.368 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.861 -2.615 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.735 -3.721 -5.097 1.00 0.00 H new ATOM 263 N LEU A 37 15.014 -1.259 -6.756 1.00 0.00 N ATOM 264 CA LEU A 37 15.755 -0.390 -7.692 1.00 0.00 C ATOM 265 C LEU A 37 15.029 0.935 -8.028 1.00 0.00 C ATOM 266 O LEU A 37 15.532 1.729 -8.827 1.00 0.00 O ATOM 267 CB LEU A 37 16.104 -1.179 -8.977 1.00 0.00 C ATOM 268 CG LEU A 37 17.119 -2.328 -8.788 1.00 0.00 C ATOM 269 CD1 LEU A 37 16.444 -3.683 -8.551 1.00 0.00 C ATOM 270 CD2 LEU A 37 17.989 -2.479 -10.039 1.00 0.00 C ATOM 0 H LEU A 37 14.058 -1.437 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 37 16.672 -0.092 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.184 -1.592 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.501 -0.482 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 37 17.710 -2.061 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.206 -4.452 -8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.829 -3.631 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.816 -3.931 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.700 -3.292 -9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.356 -2.701 -10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.532 -1.551 -10.219 1.00 0.00 H new ATOM 282 N CYS A 38 13.856 1.196 -7.437 1.00 0.00 N ATOM 283 CA CYS A 38 13.058 2.405 -7.677 1.00 0.00 C ATOM 284 C CYS A 38 13.801 3.693 -7.252 1.00 0.00 C ATOM 285 O CYS A 38 14.429 3.736 -6.188 1.00 0.00 O ATOM 286 CB CYS A 38 11.721 2.259 -6.932 1.00 0.00 C ATOM 287 SG CYS A 38 10.574 3.582 -7.423 1.00 0.00 S ATOM 0 H CYS A 38 13.427 0.560 -6.765 1.00 0.00 H new ATOM 0 HA CYS A 38 12.879 2.504 -8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.280 1.287 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.891 2.297 -5.856 1.00 0.00 H new ATOM 0 HG CYS A 38 9.450 3.441 -6.785 1.00 0.00 H new ATOM 293 N LYS A 39 13.698 4.753 -8.069 1.00 0.00 N ATOM 294 CA LYS A 39 14.323 6.078 -7.851 1.00 0.00 C ATOM 295 C LYS A 39 13.326 7.223 -7.600 1.00 0.00 C ATOM 296 O LYS A 39 13.747 8.328 -7.250 1.00 0.00 O ATOM 297 CB LYS A 39 15.268 6.401 -9.018 1.00 0.00 C ATOM 298 CG LYS A 39 16.508 5.495 -8.997 1.00 0.00 C ATOM 299 CD LYS A 39 17.532 5.985 -10.027 1.00 0.00 C ATOM 300 CE LYS A 39 18.809 5.133 -10.047 1.00 0.00 C ATOM 301 NZ LYS A 39 19.650 5.343 -8.838 1.00 0.00 N ATOM 0 H LYS A 39 13.158 4.715 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 39 14.890 6.003 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.739 6.276 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.576 7.445 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.952 5.495 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.221 4.467 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.078 5.974 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.794 7.020 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.539 4.080 -10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.390 5.375 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.500 4.746 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.932 6.342 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.107 5.087 -7.989 1.00 0.00 H new ATOM 315 N ALA A 40 12.021 6.980 -7.751 1.00 0.00 N ATOM 316 CA ALA A 40 10.966 7.934 -7.397 1.00 0.00 C ATOM 317 C ALA A 40 10.813 8.103 -5.866 1.00 0.00 C ATOM 318 O ALA A 40 11.385 7.343 -5.076 1.00 0.00 O ATOM 319 CB ALA A 40 9.657 7.478 -8.059 1.00 0.00 C ATOM 0 H ALA A 40 11.663 6.103 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 40 11.238 8.921 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.859 8.176 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.787 7.451 -9.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.395 6.483 -7.700 1.00 0.00 H new ATOM 325 N ARG A 41 10.012 9.094 -5.448 1.00 0.00 N ATOM 326 CA ARG A 41 9.799 9.506 -4.042 1.00 0.00 C ATOM 327 C ARG A 41 8.329 9.493 -3.590 1.00 0.00 C ATOM 328 O ARG A 41 8.000 10.003 -2.518 1.00 0.00 O ATOM 329 CB ARG A 41 10.501 10.859 -3.808 1.00 0.00 C ATOM 330 CG ARG A 41 9.922 12.029 -4.628 1.00 0.00 C ATOM 331 CD ARG A 41 10.728 13.320 -4.423 1.00 0.00 C ATOM 332 NE ARG A 41 10.598 13.849 -3.049 1.00 0.00 N ATOM 333 CZ ARG A 41 11.348 14.774 -2.475 1.00 0.00 C ATOM 334 NH1 ARG A 41 12.345 15.343 -3.094 1.00 0.00 N ATOM 335 NH2 ARG A 41 11.109 15.150 -1.252 1.00 0.00 N ATOM 0 H ARG A 41 9.470 9.657 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 41 10.254 8.753 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.438 11.108 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.559 10.752 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.919 11.766 -5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.885 12.198 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.779 13.128 -4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.390 14.074 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 41 9.847 13.457 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.568 15.078 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.902 16.053 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.339 14.730 -0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.692 15.864 -0.815 1.00 0.00 H new ATOM 349 N PHE A 42 7.438 8.934 -4.408 1.00 0.00 N ATOM 350 CA PHE A 42 5.982 8.994 -4.239 1.00 0.00 C ATOM 351 C PHE A 42 5.453 7.836 -3.374 1.00 0.00 C ATOM 352 O PHE A 42 4.863 6.868 -3.863 1.00 0.00 O ATOM 353 CB PHE A 42 5.311 9.049 -5.619 1.00 0.00 C ATOM 354 CG PHE A 42 5.988 9.951 -6.641 1.00 0.00 C ATOM 355 CD1 PHE A 42 6.365 11.267 -6.307 1.00 0.00 C ATOM 356 CD2 PHE A 42 6.297 9.446 -7.918 1.00 0.00 C ATOM 357 CE1 PHE A 42 7.059 12.062 -7.236 1.00 0.00 C ATOM 358 CE2 PHE A 42 6.988 10.240 -8.849 1.00 0.00 C ATOM 359 CZ PHE A 42 7.377 11.545 -8.504 1.00 0.00 C ATOM 0 H PHE A 42 7.717 8.408 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 42 5.727 9.904 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.269 8.038 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.282 9.384 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.120 11.666 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.001 8.442 -8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.348 13.070 -6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.220 9.848 -9.828 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.921 12.151 -9.213 1.00 0.00 H new ATOM 369 N THR A 43 5.687 7.924 -2.066 1.00 0.00 N ATOM 370 CA THR A 43 5.256 6.908 -1.086 1.00 0.00 C ATOM 371 C THR A 43 3.731 6.776 -1.052 1.00 0.00 C ATOM 372 O THR A 43 3.021 7.787 -1.017 1.00 0.00 O ATOM 373 CB THR A 43 5.749 7.185 0.351 1.00 0.00 C ATOM 374 OG1 THR A 43 6.818 8.111 0.416 1.00 0.00 O ATOM 375 CG2 THR A 43 6.261 5.883 0.955 1.00 0.00 C ATOM 0 H THR A 43 6.186 8.708 -1.644 1.00 0.00 H new ATOM 0 HA THR A 43 5.713 5.980 -1.429 1.00 0.00 H new ATOM 0 HB THR A 43 4.898 7.603 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.080 8.243 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.612 6.066 1.970 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.455 5.150 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.083 5.500 0.350 1.00 0.00 H new ATOM 383 N ARG A 44 3.218 5.539 -1.065 1.00 0.00 N ATOM 384 CA ARG A 44 1.786 5.235 -1.189 1.00 0.00 C ATOM 385 C ARG A 44 1.353 4.119 -0.226 1.00 0.00 C ATOM 386 O ARG A 44 2.166 3.284 0.182 1.00 0.00 O ATOM 387 CB ARG A 44 1.541 4.862 -2.660 1.00 0.00 C ATOM 388 CG ARG A 44 0.175 5.267 -3.210 1.00 0.00 C ATOM 389 CD ARG A 44 0.108 6.742 -3.623 1.00 0.00 C ATOM 390 NE ARG A 44 -0.973 6.930 -4.608 1.00 0.00 N ATOM 391 CZ ARG A 44 -1.095 7.896 -5.501 1.00 0.00 C ATOM 392 NH1 ARG A 44 -0.284 8.916 -5.537 1.00 0.00 N ATOM 393 NH2 ARG A 44 -2.038 7.848 -6.398 1.00 0.00 N ATOM 0 H ARG A 44 3.799 4.704 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 44 1.182 6.098 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.314 5.328 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.655 3.783 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.063 4.643 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.587 5.072 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.070 7.368 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.061 7.055 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.715 6.231 -4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.476 8.987 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.410 9.643 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.687 7.062 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.127 8.597 -7.085 1.00 0.00 H new ATOM 407 N TYR A 45 0.070 4.107 0.132 1.00 0.00 N ATOM 408 CA TYR A 45 -0.495 3.275 1.202 1.00 0.00 C ATOM 409 C TYR A 45 -1.778 2.576 0.719 1.00 0.00 C ATOM 410 O TYR A 45 -2.674 3.227 0.174 1.00 0.00 O ATOM 411 CB TYR A 45 -0.764 4.144 2.448 1.00 0.00 C ATOM 412 CG TYR A 45 0.267 5.225 2.765 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.632 4.906 2.924 1.00 0.00 C ATOM 414 CD2 TYR A 45 -0.145 6.566 2.888 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.574 5.912 3.212 1.00 0.00 C ATOM 416 CE2 TYR A 45 0.794 7.578 3.172 1.00 0.00 C ATOM 417 CZ TYR A 45 2.156 7.253 3.340 1.00 0.00 C ATOM 418 OH TYR A 45 3.056 8.234 3.628 1.00 0.00 O ATOM 0 H TYR A 45 -0.629 4.692 -0.326 1.00 0.00 H new ATOM 0 HA TYR A 45 0.221 2.499 1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.734 4.625 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.843 3.485 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.957 3.881 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.187 6.821 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.616 5.657 3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.470 8.604 3.261 1.00 0.00 H new ATOM 0 HH TYR A 45 2.594 9.097 3.678 1.00 0.00 H new ATOM 428 N TYR A 46 -1.865 1.255 0.905 1.00 0.00 N ATOM 429 CA TYR A 46 -2.933 0.406 0.343 1.00 0.00 C ATOM 430 C TYR A 46 -3.404 -0.652 1.352 1.00 0.00 C ATOM 431 O TYR A 46 -2.581 -1.363 1.928 1.00 0.00 O ATOM 432 CB TYR A 46 -2.430 -0.310 -0.919 1.00 0.00 C ATOM 433 CG TYR A 46 -1.804 0.552 -2.003 1.00 0.00 C ATOM 434 CD1 TYR A 46 -0.420 0.819 -1.981 1.00 0.00 C ATOM 435 CD2 TYR A 46 -2.586 1.005 -3.080 1.00 0.00 C ATOM 436 CE1 TYR A 46 0.200 1.448 -3.076 1.00 0.00 C ATOM 437 CE2 TYR A 46 -1.977 1.686 -4.150 1.00 0.00 C ATOM 438 CZ TYR A 46 -0.579 1.874 -4.173 1.00 0.00 C ATOM 439 OH TYR A 46 0.011 2.449 -5.256 1.00 0.00 O ATOM 0 H TYR A 46 -1.186 0.732 1.459 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.771 1.059 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.696 -1.056 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.269 -0.849 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.167 0.539 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.652 0.831 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.269 1.604 -3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.583 2.067 -4.958 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.674 2.680 -5.918 1.00 0.00 H new ATOM 449 N CYS A 47 -4.718 -0.767 1.582 1.00 0.00 N ATOM 450 CA CYS A 47 -5.271 -1.760 2.512 1.00 0.00 C ATOM 451 C CYS A 47 -5.183 -3.200 1.963 1.00 0.00 C ATOM 452 O CYS A 47 -5.634 -3.463 0.844 1.00 0.00 O ATOM 453 CB CYS A 47 -6.714 -1.401 2.888 1.00 0.00 C ATOM 454 SG CYS A 47 -7.375 -2.473 4.198 1.00 0.00 S ATOM 0 H CYS A 47 -5.422 -0.181 1.134 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.657 -1.733 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.753 -0.363 3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.347 -1.479 2.004 1.00 0.00 H new ATOM 459 N MET A 48 -4.655 -4.136 2.764 1.00 0.00 N ATOM 460 CA MET A 48 -4.735 -5.586 2.524 1.00 0.00 C ATOM 461 C MET A 48 -5.161 -6.359 3.788 1.00 0.00 C ATOM 462 O MET A 48 -6.332 -6.719 3.919 1.00 0.00 O ATOM 463 CB MET A 48 -3.429 -6.132 1.912 1.00 0.00 C ATOM 464 CG MET A 48 -3.233 -5.711 0.448 1.00 0.00 C ATOM 465 SD MET A 48 -2.221 -6.848 -0.550 1.00 0.00 S ATOM 466 CE MET A 48 -0.563 -6.509 0.094 1.00 0.00 C ATOM 0 H MET A 48 -4.148 -3.902 3.617 1.00 0.00 H new ATOM 0 HA MET A 48 -5.521 -5.749 1.787 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.583 -5.781 2.502 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.432 -7.220 1.975 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.212 -5.614 -0.021 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.771 -4.724 0.428 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.101 -7.335 -0.159 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.182 -5.589 -0.348 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.609 -6.399 1.177 1.00 0.00 H new ATOM 476 N GLY A 49 -4.244 -6.628 4.725 1.00 0.00 N ATOM 477 CA GLY A 49 -4.473 -7.518 5.877 1.00 0.00 C ATOM 478 C GLY A 49 -5.100 -6.831 7.089 1.00 0.00 C ATOM 479 O GLY A 49 -4.504 -6.797 8.162 1.00 0.00 O ATOM 0 H GLY A 49 -3.306 -6.228 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.119 -8.338 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.522 -7.958 6.176 1.00 0.00 H new ATOM 483 N ASN A 50 -6.306 -6.276 6.912 1.00 0.00 N ATOM 484 CA ASN A 50 -7.035 -5.444 7.880 1.00 0.00 C ATOM 485 C ASN A 50 -6.278 -4.155 8.297 1.00 0.00 C ATOM 486 O ASN A 50 -6.647 -3.491 9.265 1.00 0.00 O ATOM 487 CB ASN A 50 -7.484 -6.310 9.075 1.00 0.00 C ATOM 488 CG ASN A 50 -8.107 -7.645 8.694 1.00 0.00 C ATOM 489 OD1 ASN A 50 -7.608 -8.711 9.028 1.00 0.00 O ATOM 490 ND2 ASN A 50 -9.215 -7.649 7.987 1.00 0.00 N ATOM 0 H ASN A 50 -6.827 -6.401 6.044 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.927 -5.062 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.622 -6.496 9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.204 -5.744 9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.649 -8.534 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.641 -6.767 7.702 1.00 0.00 H new ATOM 497 N CYS A 51 -5.232 -3.796 7.551 1.00 0.00 N ATOM 498 CA CYS A 51 -4.337 -2.652 7.721 1.00 0.00 C ATOM 499 C CYS A 51 -3.916 -2.125 6.338 1.00 0.00 C ATOM 500 O CYS A 51 -3.964 -2.874 5.356 1.00 0.00 O ATOM 501 CB CYS A 51 -3.107 -3.130 8.516 1.00 0.00 C ATOM 502 SG CYS A 51 -2.162 -4.444 7.684 1.00 0.00 S ATOM 0 H CYS A 51 -4.966 -4.351 6.737 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.833 -1.844 8.259 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.449 -2.280 8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.434 -3.492 9.491 1.00 0.00 H new ATOM 507 N CYS A 52 -3.437 -0.878 6.261 1.00 0.00 N ATOM 508 CA CYS A 52 -2.807 -0.320 5.061 1.00 0.00 C ATOM 509 C CYS A 52 -1.325 0.006 5.292 1.00 0.00 C ATOM 510 O CYS A 52 -0.958 1.122 5.664 1.00 0.00 O ATOM 511 CB CYS A 52 -3.621 0.841 4.465 1.00 0.00 C ATOM 512 SG CYS A 52 -4.068 2.250 5.512 1.00 0.00 S ATOM 0 H CYS A 52 -3.477 -0.221 7.040 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.816 -1.094 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.060 1.231 3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.546 0.422 4.070 1.00 0.00 H new ATOM 517 N LYS A 53 -0.464 -0.998 5.073 1.00 0.00 N ATOM 518 CA LYS A 53 0.997 -0.823 5.083 1.00 0.00 C ATOM 519 C LYS A 53 1.477 0.043 3.909 1.00 0.00 C ATOM 520 O LYS A 53 0.764 0.272 2.928 1.00 0.00 O ATOM 521 CB LYS A 53 1.710 -2.194 5.101 1.00 0.00 C ATOM 522 CG LYS A 53 2.460 -2.405 6.428 1.00 0.00 C ATOM 523 CD LYS A 53 3.225 -3.729 6.498 1.00 0.00 C ATOM 524 CE LYS A 53 4.429 -3.812 5.552 1.00 0.00 C ATOM 525 NZ LYS A 53 5.569 -2.950 5.975 1.00 0.00 N ATOM 0 H LYS A 53 -0.760 -1.955 4.884 1.00 0.00 H new ATOM 0 HA LYS A 53 1.261 -0.291 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.979 -2.990 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.411 -2.255 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.160 -1.583 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.745 -2.365 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.570 -3.882 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.539 -4.544 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.766 -4.847 5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.115 -3.522 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.350 -3.050 5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.261 -1.957 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.892 -3.241 6.920 1.00 0.00 H new ATOM 539 N VAL A 54 2.716 0.513 4.028 1.00 0.00 N ATOM 540 CA VAL A 54 3.434 1.261 2.990 1.00 0.00 C ATOM 541 C VAL A 54 4.069 0.327 1.962 1.00 0.00 C ATOM 542 O VAL A 54 4.785 -0.610 2.319 1.00 0.00 O ATOM 543 CB VAL A 54 4.453 2.223 3.633 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.553 1.552 4.466 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.114 3.098 2.574 1.00 0.00 C ATOM 0 H VAL A 54 3.269 0.382 4.875 1.00 0.00 H new ATOM 0 HA VAL A 54 2.717 1.869 2.439 1.00 0.00 H new ATOM 0 HB VAL A 54 3.857 2.817 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.217 2.314 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.099 0.991 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.125 0.873 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.829 3.769 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.633 2.467 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.353 3.685 2.060 1.00 0.00 H new ATOM 555 N TYR A 55 3.799 0.595 0.682 1.00 0.00 N ATOM 556 CA TYR A 55 4.289 -0.168 -0.469 1.00 0.00 C ATOM 557 C TYR A 55 4.880 0.771 -1.537 1.00 0.00 C ATOM 558 O TYR A 55 4.513 1.943 -1.635 1.00 0.00 O ATOM 559 CB TYR A 55 3.148 -1.036 -1.045 1.00 0.00 C ATOM 560 CG TYR A 55 2.440 -1.982 -0.077 1.00 0.00 C ATOM 561 CD1 TYR A 55 3.159 -2.741 0.870 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.042 -2.122 -0.139 1.00 0.00 C ATOM 563 CE1 TYR A 55 2.485 -3.594 1.767 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.357 -2.953 0.768 1.00 0.00 C ATOM 565 CZ TYR A 55 1.078 -3.689 1.729 1.00 0.00 C ATOM 566 OH TYR A 55 0.414 -4.493 2.604 1.00 0.00 O ATOM 0 H TYR A 55 3.209 1.381 0.408 1.00 0.00 H new ATOM 0 HA TYR A 55 5.091 -0.830 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.400 -0.370 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.555 -1.630 -1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.236 -2.668 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.486 -1.585 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.046 -4.175 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.720 -3.026 0.727 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.550 -4.435 2.435 1.00 0.00 H new ATOM 576 N GLU A 56 5.802 0.251 -2.351 1.00 0.00 N ATOM 577 CA GLU A 56 6.571 1.007 -3.352 1.00 0.00 C ATOM 578 C GLU A 56 6.553 0.274 -4.708 1.00 0.00 C ATOM 579 O GLU A 56 7.396 -0.582 -4.989 1.00 0.00 O ATOM 580 CB GLU A 56 8.006 1.253 -2.843 1.00 0.00 C ATOM 581 CG GLU A 56 8.062 2.190 -1.627 1.00 0.00 C ATOM 582 CD GLU A 56 9.518 2.422 -1.181 1.00 0.00 C ATOM 583 OE1 GLU A 56 10.033 1.640 -0.346 1.00 0.00 O ATOM 584 OE2 GLU A 56 10.156 3.393 -1.657 1.00 0.00 O ATOM 0 H GLU A 56 6.044 -0.740 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 56 6.106 1.981 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.460 0.298 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.603 1.678 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.597 3.144 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.489 1.761 -0.805 1.00 0.00 H new ATOM 591 N GLY A 57 5.557 0.572 -5.544 1.00 0.00 N ATOM 592 CA GLY A 57 5.371 -0.021 -6.875 1.00 0.00 C ATOM 593 C GLY A 57 4.065 0.421 -7.548 1.00 0.00 C ATOM 594 O GLY A 57 3.255 1.134 -6.948 1.00 0.00 O ATOM 0 H GLY A 57 4.834 1.253 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.213 0.254 -7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.379 -1.107 -6.788 1.00 0.00 H new ATOM 598 N CYS A 58 3.852 0.001 -8.800 1.00 0.00 N ATOM 599 CA CYS A 58 2.644 0.325 -9.568 1.00 0.00 C ATOM 600 C CYS A 58 1.391 -0.335 -8.966 1.00 0.00 C ATOM 601 O CYS A 58 1.422 -1.496 -8.548 1.00 0.00 O ATOM 602 CB CYS A 58 2.795 -0.133 -11.029 1.00 0.00 C ATOM 603 SG CYS A 58 4.364 0.433 -11.757 1.00 0.00 S ATOM 0 H CYS A 58 4.518 -0.577 -9.313 1.00 0.00 H new ATOM 0 HA CYS A 58 2.522 1.407 -9.528 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.744 -1.221 -11.076 1.00 0.00 H new ATOM 0 HB3 CYS A 58 1.962 0.251 -11.618 1.00 0.00 H new ATOM 0 HG CYS A 58 4.445 0.020 -12.987 1.00 0.00 H new ATOM 609 N TYR A 59 0.271 0.390 -8.988 1.00 0.00 N ATOM 610 CA TYR A 59 -1.051 -0.099 -8.592 1.00 0.00 C ATOM 611 C TYR A 59 -2.131 0.726 -9.316 1.00 0.00 C ATOM 612 O TYR A 59 -2.161 1.954 -9.208 1.00 0.00 O ATOM 613 CB TYR A 59 -1.197 -0.006 -7.058 1.00 0.00 C ATOM 614 CG TYR A 59 -1.878 -1.173 -6.358 1.00 0.00 C ATOM 615 CD1 TYR A 59 -3.105 -1.685 -6.828 1.00 0.00 C ATOM 616 CD2 TYR A 59 -1.293 -1.727 -5.198 1.00 0.00 C ATOM 617 CE1 TYR A 59 -3.743 -2.742 -6.151 1.00 0.00 C ATOM 618 CE2 TYR A 59 -1.926 -2.785 -4.518 1.00 0.00 C ATOM 619 CZ TYR A 59 -3.155 -3.294 -4.990 1.00 0.00 C ATOM 620 OH TYR A 59 -3.773 -4.305 -4.320 1.00 0.00 O ATOM 0 H TYR A 59 0.259 1.364 -9.291 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.171 -1.144 -8.876 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.202 0.112 -6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.754 0.901 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.558 -1.264 -7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.355 -1.337 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.681 -3.131 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.471 -3.207 -3.634 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.230 -4.565 -3.547 1.00 0.00 H new ATOM 630 N THR A 60 -2.998 0.066 -10.089 1.00 0.00 N ATOM 631 CA THR A 60 -4.104 0.703 -10.842 1.00 0.00 C ATOM 632 C THR A 60 -5.098 1.464 -9.941 1.00 0.00 C ATOM 633 O THR A 60 -5.585 2.533 -10.317 1.00 0.00 O ATOM 634 CB THR A 60 -4.860 -0.352 -11.674 1.00 0.00 C ATOM 635 OG1 THR A 60 -3.934 -1.145 -12.394 1.00 0.00 O ATOM 636 CG2 THR A 60 -5.812 0.262 -12.703 1.00 0.00 C ATOM 0 H THR A 60 -2.958 -0.945 -10.217 1.00 0.00 H new ATOM 0 HA THR A 60 -3.642 1.441 -11.499 1.00 0.00 H new ATOM 0 HB THR A 60 -5.441 -0.937 -10.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.417 -1.816 -12.920 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.313 -0.533 -13.255 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.556 0.873 -12.191 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.246 0.884 -13.396 1.00 0.00 H new ATOM 644 N GLY A 61 -5.383 0.932 -8.745 1.00 0.00 N ATOM 645 CA GLY A 61 -6.237 1.528 -7.705 1.00 0.00 C ATOM 646 C GLY A 61 -5.447 2.216 -6.578 1.00 0.00 C ATOM 647 O GLY A 61 -4.270 2.543 -6.737 1.00 0.00 O ATOM 0 H GLY A 61 -5.006 0.028 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.903 2.256 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.866 0.750 -7.273 1.00 0.00 H new ATOM 651 N GLY A 62 -6.105 2.447 -5.437 1.00 0.00 N ATOM 652 CA GLY A 62 -5.523 2.989 -4.196 1.00 0.00 C ATOM 653 C GLY A 62 -6.207 4.260 -3.673 1.00 0.00 C ATOM 654 O GLY A 62 -7.056 4.852 -4.343 1.00 0.00 O ATOM 0 H GLY A 62 -7.102 2.254 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.570 2.222 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.468 3.204 -4.368 1.00 0.00 H new ATOM 658 N TYR A 63 -5.815 4.685 -2.465 1.00 0.00 N ATOM 659 CA TYR A 63 -6.440 5.798 -1.727 1.00 0.00 C ATOM 660 C TYR A 63 -5.596 7.084 -1.676 1.00 0.00 C ATOM 661 O TYR A 63 -6.125 8.149 -1.368 1.00 0.00 O ATOM 662 CB TYR A 63 -6.746 5.341 -0.292 1.00 0.00 C ATOM 663 CG TYR A 63 -7.641 4.121 -0.191 1.00 0.00 C ATOM 664 CD1 TYR A 63 -9.040 4.273 -0.274 1.00 0.00 C ATOM 665 CD2 TYR A 63 -7.080 2.838 -0.030 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.879 3.145 -0.198 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.918 1.710 0.060 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.319 1.859 -0.025 1.00 0.00 C ATOM 669 OH TYR A 63 -10.119 0.760 0.050 1.00 0.00 O ATOM 0 H TYR A 63 -5.038 4.258 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.348 6.052 -2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.805 5.127 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.217 6.165 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.469 5.257 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.008 2.720 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.950 3.262 -0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.488 0.729 0.194 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.566 -0.040 0.168 1.00 0.00 H new ATOM 679 N SER A 64 -4.285 6.998 -1.943 1.00 0.00 N ATOM 680 CA SER A 64 -3.268 8.071 -1.847 1.00 0.00 C ATOM 681 C SER A 64 -3.062 8.704 -0.450 1.00 0.00 C ATOM 682 O SER A 64 -2.040 9.352 -0.209 1.00 0.00 O ATOM 683 CB SER A 64 -3.552 9.140 -2.916 1.00 0.00 C ATOM 684 OG SER A 64 -2.395 9.912 -3.191 1.00 0.00 O ATOM 0 H SER A 64 -3.872 6.119 -2.254 1.00 0.00 H new ATOM 0 HA SER A 64 -2.313 7.580 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.897 8.660 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.356 9.793 -2.576 1.00 0.00 H new ATOM 0 HG SER A 64 -1.823 9.938 -2.396 1.00 0.00 H new ATOM 690 N ARG A 65 -3.972 8.477 0.510 1.00 0.00 N ATOM 691 CA ARG A 65 -3.968 9.039 1.874 1.00 0.00 C ATOM 692 C ARG A 65 -4.040 7.954 2.941 1.00 0.00 C ATOM 693 O ARG A 65 -4.872 7.049 2.871 1.00 0.00 O ATOM 694 CB ARG A 65 -5.159 10.002 2.051 1.00 0.00 C ATOM 695 CG ARG A 65 -5.137 11.236 1.141 1.00 0.00 C ATOM 696 CD ARG A 65 -3.959 12.163 1.457 1.00 0.00 C ATOM 697 NE ARG A 65 -4.069 13.414 0.678 1.00 0.00 N ATOM 698 CZ ARG A 65 -3.211 14.417 0.634 1.00 0.00 C ATOM 699 NH1 ARG A 65 -2.102 14.412 1.318 1.00 0.00 N ATOM 700 NH2 ARG A 65 -3.459 15.458 -0.109 1.00 0.00 N ATOM 0 H ARG A 65 -4.772 7.865 0.350 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.027 9.575 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.082 9.451 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.186 10.335 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.078 10.918 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.071 11.786 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.942 12.390 2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.020 11.662 1.223 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.908 13.515 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.873 13.615 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.463 15.205 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.317 15.500 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.795 16.231 -0.141 1.00 0.00 H new ATOM 714 N MET A 66 -3.221 8.116 3.980 1.00 0.00 N ATOM 715 CA MET A 66 -3.182 7.256 5.168 1.00 0.00 C ATOM 716 C MET A 66 -4.530 7.232 5.911 1.00 0.00 C ATOM 717 O MET A 66 -4.977 6.181 6.370 1.00 0.00 O ATOM 718 CB MET A 66 -2.044 7.751 6.075 1.00 0.00 C ATOM 719 CG MET A 66 -1.772 6.821 7.267 1.00 0.00 C ATOM 720 SD MET A 66 -1.295 5.114 6.866 1.00 0.00 S ATOM 721 CE MET A 66 0.433 5.361 6.376 1.00 0.00 C ATOM 0 H MET A 66 -2.542 8.876 4.021 1.00 0.00 H new ATOM 0 HA MET A 66 -2.995 6.226 4.865 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.133 7.849 5.484 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.291 8.745 6.447 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.981 7.264 7.872 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.668 6.789 7.887 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.788 4.482 5.837 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.507 6.237 5.731 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.045 5.513 7.265 1.00 0.00 H new ATOM 731 N GLY A 67 -5.215 8.380 5.985 1.00 0.00 N ATOM 732 CA GLY A 67 -6.523 8.492 6.641 1.00 0.00 C ATOM 733 C GLY A 67 -7.666 7.838 5.856 1.00 0.00 C ATOM 734 O GLY A 67 -8.631 7.361 6.454 1.00 0.00 O ATOM 0 H GLY A 67 -4.877 9.258 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.464 8.034 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.755 9.546 6.792 1.00 0.00 H new ATOM 738 N GLU A 68 -7.572 7.795 4.524 1.00 0.00 N ATOM 739 CA GLU A 68 -8.579 7.163 3.661 1.00 0.00 C ATOM 740 C GLU A 68 -8.392 5.645 3.560 1.00 0.00 C ATOM 741 O GLU A 68 -9.379 4.912 3.649 1.00 0.00 O ATOM 742 CB GLU A 68 -8.614 7.810 2.269 1.00 0.00 C ATOM 743 CG GLU A 68 -9.127 9.256 2.346 1.00 0.00 C ATOM 744 CD GLU A 68 -9.455 9.827 0.952 1.00 0.00 C ATOM 745 OE1 GLU A 68 -10.478 9.415 0.353 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.717 10.716 0.464 1.00 0.00 O ATOM 0 H GLU A 68 -6.790 8.200 4.009 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.545 7.334 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.615 7.798 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.257 7.227 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.019 9.291 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.375 9.882 2.827 1.00 0.00 H new ATOM 753 N CYS A 69 -7.153 5.148 3.441 1.00 0.00 N ATOM 754 CA CYS A 69 -6.891 3.701 3.436 1.00 0.00 C ATOM 755 C CYS A 69 -7.243 3.024 4.773 1.00 0.00 C ATOM 756 O CYS A 69 -7.541 1.830 4.797 1.00 0.00 O ATOM 757 CB CYS A 69 -5.446 3.421 3.004 1.00 0.00 C ATOM 758 SG CYS A 69 -4.100 3.788 4.166 1.00 0.00 S ATOM 0 H CYS A 69 -6.317 5.725 3.347 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.558 3.250 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.378 2.365 2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.258 3.987 2.092 1.00 0.00 H new ATOM 763 N ALA A 70 -7.262 3.790 5.867 1.00 0.00 N ATOM 764 CA ALA A 70 -7.768 3.388 7.171 1.00 0.00 C ATOM 765 C ALA A 70 -9.308 3.342 7.192 1.00 0.00 C ATOM 766 O ALA A 70 -9.871 2.263 7.359 1.00 0.00 O ATOM 767 CB ALA A 70 -7.196 4.342 8.227 1.00 0.00 C ATOM 0 H ALA A 70 -6.909 4.747 5.862 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.442 2.373 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.564 4.057 9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.107 4.286 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.509 5.362 8.004 1.00 0.00 H new ATOM 773 N ARG A 71 -10.004 4.480 7.010 1.00 0.00 N ATOM 774 CA ARG A 71 -11.474 4.582 7.194 1.00 0.00 C ATOM 775 C ARG A 71 -12.310 3.691 6.262 1.00 0.00 C ATOM 776 O ARG A 71 -13.409 3.283 6.635 1.00 0.00 O ATOM 777 CB ARG A 71 -11.931 6.054 7.130 1.00 0.00 C ATOM 778 CG ARG A 71 -12.016 6.611 5.697 1.00 0.00 C ATOM 779 CD ARG A 71 -12.229 8.129 5.647 1.00 0.00 C ATOM 780 NE ARG A 71 -11.072 8.865 6.190 1.00 0.00 N ATOM 781 CZ ARG A 71 -10.902 10.173 6.240 1.00 0.00 C ATOM 782 NH1 ARG A 71 -11.755 11.003 5.713 1.00 0.00 N ATOM 783 NH2 ARG A 71 -9.857 10.675 6.832 1.00 0.00 N ATOM 0 H ARG A 71 -9.567 5.359 6.731 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.667 4.187 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.908 6.143 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -11.239 6.666 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -11.099 6.362 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.834 6.119 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.404 8.437 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.123 8.389 6.214 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.315 8.297 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.587 10.648 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.591 12.008 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.167 10.057 7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.728 11.686 6.869 1.00 0.00 H new ATOM 797 N ASN A 72 -11.798 3.375 5.068 1.00 0.00 N ATOM 798 CA ASN A 72 -12.429 2.443 4.120 1.00 0.00 C ATOM 799 C ASN A 72 -12.214 0.953 4.481 1.00 0.00 C ATOM 800 O ASN A 72 -12.808 0.077 3.848 1.00 0.00 O ATOM 801 CB ASN A 72 -11.926 2.758 2.701 1.00 0.00 C ATOM 802 CG ASN A 72 -12.527 4.043 2.156 1.00 0.00 C ATOM 803 OD1 ASN A 72 -13.656 4.078 1.686 1.00 0.00 O ATOM 804 ND2 ASN A 72 -11.803 5.135 2.196 1.00 0.00 N ATOM 0 H ASN A 72 -10.920 3.764 4.725 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.507 2.593 4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.839 2.842 2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.175 1.931 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.181 6.011 1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.861 5.109 2.587 1.00 0.00 H new ATOM 811 N CYS A 73 -11.400 0.660 5.500 1.00 0.00 N ATOM 812 CA CYS A 73 -11.067 -0.678 5.996 1.00 0.00 C ATOM 813 C CYS A 73 -11.419 -0.858 7.498 1.00 0.00 C ATOM 814 O CYS A 73 -11.784 0.109 8.174 1.00 0.00 O ATOM 815 CB CYS A 73 -9.583 -0.935 5.669 1.00 0.00 C ATOM 816 SG CYS A 73 -9.366 -2.060 4.260 1.00 0.00 S ATOM 0 H CYS A 73 -10.929 1.393 6.031 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.676 -1.432 5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.093 0.014 5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.089 -1.355 6.545 1.00 0.00 H new ATOM 821 N PRO A 74 -11.344 -2.090 8.049 1.00 0.00 N ATOM 822 CA PRO A 74 -11.677 -2.366 9.456 1.00 0.00 C ATOM 823 C PRO A 74 -10.591 -1.947 10.471 1.00 0.00 C ATOM 824 O PRO A 74 -10.828 -2.022 11.681 1.00 0.00 O ATOM 825 CB PRO A 74 -11.936 -3.875 9.507 1.00 0.00 C ATOM 826 CG PRO A 74 -11.028 -4.424 8.411 1.00 0.00 C ATOM 827 CD PRO A 74 -11.091 -3.339 7.339 1.00 0.00 C ATOM 0 HA PRO A 74 -12.539 -1.770 9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.687 -4.293 10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.983 -4.110 9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.010 -4.579 8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.383 -5.384 8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.157 -3.288 6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.883 -3.546 6.619 1.00 0.00 H new ATOM 835 N GLY A 75 -9.410 -1.519 10.000 1.00 0.00 N ATOM 836 CA GLY A 75 -8.241 -1.101 10.797 1.00 0.00 C ATOM 837 C GLY A 75 -8.507 0.055 11.769 1.00 0.00 C ATOM 838 O GLY A 75 -8.218 -0.108 12.976 1.00 0.00 O ATOM 839 OXT GLY A 75 -8.959 1.129 11.314 1.00 0.00 O ATOM 0 H GLY A 75 -9.233 -1.451 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.880 -1.959 11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.441 -0.809 10.117 1.00 0.00 H new