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 Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.15) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.00746 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 48 MET CE :methyl -170:sc= 0 (180deg=-0.142) USER MOD Single : A 50 ASN : amide:sc= -0.0049 X(o=-0.0049,f=-0.0007) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0358 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc=0.000522 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 -120:sc= 0 (180deg=-0.211) USER MOD Single : A 72 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 3.151 0.118 22.405 1.00 0.00 N ATOM 2 CA GLY A 19 2.389 -0.221 21.184 1.00 0.00 C ATOM 3 C GLY A 19 3.247 0.008 19.955 1.00 0.00 C ATOM 4 O GLY A 19 3.347 1.136 19.473 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.067 -1.262 21.224 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.488 0.389 21.127 1.00 0.00 H new ATOM 10 N ASP A 20 3.901 -1.045 19.459 1.00 0.00 N ATOM 11 CA ASP A 20 5.096 -0.960 18.606 1.00 0.00 C ATOM 12 C ASP A 20 4.917 -1.777 17.313 1.00 0.00 C ATOM 13 O ASP A 20 5.369 -2.921 17.198 1.00 0.00 O ATOM 14 CB ASP A 20 6.328 -1.394 19.425 1.00 0.00 C ATOM 15 CG ASP A 20 6.606 -0.448 20.608 1.00 0.00 C ATOM 16 OD1 ASP A 20 5.926 -0.568 21.658 1.00 0.00 O ATOM 17 OD2 ASP A 20 7.500 0.424 20.490 1.00 0.00 O ATOM 0 H ASP A 20 3.610 -2.005 19.642 1.00 0.00 H new ATOM 0 HA ASP A 20 5.250 0.070 18.284 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.174 -2.406 19.800 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.202 -1.425 18.774 1.00 0.00 H new ATOM 22 N LYS A 21 4.220 -1.190 16.330 1.00 0.00 N ATOM 23 CA LYS A 21 3.938 -1.791 15.015 1.00 0.00 C ATOM 24 C LYS A 21 5.162 -1.698 14.091 1.00 0.00 C ATOM 25 O LYS A 21 5.253 -0.811 13.241 1.00 0.00 O ATOM 26 CB LYS A 21 2.685 -1.161 14.369 1.00 0.00 C ATOM 27 CG LYS A 21 1.357 -1.481 15.087 1.00 0.00 C ATOM 28 CD LYS A 21 0.967 -0.542 16.242 1.00 0.00 C ATOM 29 CE LYS A 21 0.671 0.881 15.745 1.00 0.00 C ATOM 30 NZ LYS A 21 0.215 1.768 16.848 1.00 0.00 N ATOM 0 H LYS A 21 3.824 -0.255 16.429 1.00 0.00 H new ATOM 0 HA LYS A 21 3.725 -2.849 15.168 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.814 -0.079 14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.615 -1.503 13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.556 -1.467 14.348 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.414 -2.498 15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.089 -0.939 16.752 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.774 -0.511 16.974 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.568 1.300 15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.094 0.843 14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.025 2.719 16.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.655 1.382 17.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.955 1.824 17.577 1.00 0.00 H new ATOM 44 N GLU A 22 6.114 -2.615 14.262 1.00 0.00 N ATOM 45 CA GLU A 22 7.311 -2.735 13.410 1.00 0.00 C ATOM 46 C GLU A 22 6.957 -3.050 11.941 1.00 0.00 C ATOM 47 O GLU A 22 7.576 -2.517 11.019 1.00 0.00 O ATOM 48 CB GLU A 22 8.250 -3.822 13.961 1.00 0.00 C ATOM 49 CG GLU A 22 8.824 -3.473 15.341 1.00 0.00 C ATOM 50 CD GLU A 22 9.837 -4.540 15.803 1.00 0.00 C ATOM 51 OE1 GLU A 22 9.421 -5.571 16.388 1.00 0.00 O ATOM 52 OE2 GLU A 22 11.061 -4.354 15.591 1.00 0.00 O ATOM 0 H GLU A 22 6.080 -3.310 15.008 1.00 0.00 H new ATOM 0 HA GLU A 22 7.814 -1.768 13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.707 -4.765 14.027 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.071 -3.975 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.310 -2.498 15.301 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.015 -3.396 16.067 1.00 0.00 H new ATOM 59 N GLU A 23 5.941 -3.891 11.723 1.00 0.00 N ATOM 60 CA GLU A 23 5.334 -4.229 10.425 1.00 0.00 C ATOM 61 C GLU A 23 3.878 -4.727 10.595 1.00 0.00 C ATOM 62 O GLU A 23 3.364 -4.793 11.716 1.00 0.00 O ATOM 63 CB GLU A 23 6.216 -5.256 9.679 1.00 0.00 C ATOM 64 CG GLU A 23 6.343 -6.618 10.376 1.00 0.00 C ATOM 65 CD GLU A 23 7.286 -7.548 9.587 1.00 0.00 C ATOM 66 OE1 GLU A 23 6.825 -8.210 8.625 1.00 0.00 O ATOM 67 OE2 GLU A 23 8.492 -7.629 9.924 1.00 0.00 O ATOM 0 H GLU A 23 5.491 -4.386 12.493 1.00 0.00 H new ATOM 0 HA GLU A 23 5.283 -3.326 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.805 -5.411 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.213 -4.834 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.723 -6.480 11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.360 -7.080 10.465 1.00 0.00 H new ATOM 74 N CYS A 24 3.212 -5.094 9.492 1.00 0.00 N ATOM 75 CA CYS A 24 1.887 -5.729 9.473 1.00 0.00 C ATOM 76 C CYS A 24 1.878 -6.940 8.519 1.00 0.00 C ATOM 77 O CYS A 24 2.218 -6.812 7.339 1.00 0.00 O ATOM 78 CB CYS A 24 0.821 -4.697 9.074 1.00 0.00 C ATOM 79 SG CYS A 24 -0.871 -5.339 9.212 1.00 0.00 S ATOM 0 H CYS A 24 3.594 -4.952 8.557 1.00 0.00 H new ATOM 0 HA CYS A 24 1.654 -6.096 10.472 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.922 -3.815 9.706 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.000 -4.376 8.048 1.00 0.00 H new ATOM 84 N THR A 25 1.511 -8.122 9.026 1.00 0.00 N ATOM 85 CA THR A 25 1.469 -9.398 8.284 1.00 0.00 C ATOM 86 C THR A 25 0.451 -9.369 7.135 1.00 0.00 C ATOM 87 O THR A 25 -0.739 -9.134 7.350 1.00 0.00 O ATOM 88 CB THR A 25 1.135 -10.565 9.231 1.00 0.00 C ATOM 89 OG1 THR A 25 1.987 -10.543 10.361 1.00 0.00 O ATOM 90 CG2 THR A 25 1.306 -11.932 8.564 1.00 0.00 C ATOM 0 H THR A 25 1.224 -8.226 9.999 1.00 0.00 H new ATOM 0 HA THR A 25 2.460 -9.543 7.854 1.00 0.00 H new ATOM 0 HB THR A 25 0.091 -10.431 9.514 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.762 -11.289 10.955 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.057 -12.718 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.643 -12.001 7.701 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.339 -12.051 8.238 1.00 0.00 H new ATOM 98 N VAL A 26 0.911 -9.616 5.905 1.00 0.00 N ATOM 99 CA VAL A 26 0.080 -9.654 4.686 1.00 0.00 C ATOM 100 C VAL A 26 -0.695 -10.991 4.593 1.00 0.00 C ATOM 101 O VAL A 26 -0.093 -12.048 4.811 1.00 0.00 O ATOM 102 CB VAL A 26 0.949 -9.466 3.422 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.110 -9.079 2.202 1.00 0.00 C ATOM 104 CG2 VAL A 26 2.022 -8.375 3.575 1.00 0.00 C ATOM 0 H VAL A 26 1.897 -9.801 5.719 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.635 -8.834 4.746 1.00 0.00 H new ATOM 0 HB VAL A 26 1.426 -10.436 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.761 -8.957 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.620 -9.862 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.409 -8.141 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.595 -8.296 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.542 -7.420 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.691 -8.635 4.396 1.00 0.00 H new ATOM 114 N PRO A 27 -2.007 -10.989 4.277 1.00 0.00 N ATOM 115 CA PRO A 27 -2.830 -12.202 4.156 1.00 0.00 C ATOM 116 C PRO A 27 -2.590 -12.978 2.845 1.00 0.00 C ATOM 117 O PRO A 27 -2.051 -12.444 1.876 1.00 0.00 O ATOM 118 CB PRO A 27 -4.273 -11.689 4.218 1.00 0.00 C ATOM 119 CG PRO A 27 -4.166 -10.324 3.543 1.00 0.00 C ATOM 120 CD PRO A 27 -2.820 -9.809 4.045 1.00 0.00 C ATOM 0 HA PRO A 27 -2.585 -12.913 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.962 -12.350 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.631 -11.608 5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.189 -10.406 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.985 -9.665 3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.354 -9.151 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.940 -9.230 4.961 1.00 0.00 H new ATOM 128 N ILE A 28 -3.051 -14.233 2.791 1.00 0.00 N ATOM 129 CA ILE A 28 -2.979 -15.109 1.602 1.00 0.00 C ATOM 130 C ILE A 28 -3.741 -14.494 0.408 1.00 0.00 C ATOM 131 O ILE A 28 -4.780 -13.851 0.584 1.00 0.00 O ATOM 132 CB ILE A 28 -3.519 -16.522 1.949 1.00 0.00 C ATOM 133 CG1 ILE A 28 -2.871 -17.143 3.211 1.00 0.00 C ATOM 134 CG2 ILE A 28 -3.377 -17.503 0.768 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.342 -17.278 3.174 1.00 0.00 C ATOM 0 H ILE A 28 -3.497 -14.685 3.590 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.935 -15.203 1.303 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.576 -16.366 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.143 -16.535 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.301 -18.132 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.768 -18.479 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.938 -17.126 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.325 -17.599 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.993 -17.724 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.053 -17.914 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.893 -16.292 3.053 1.00 0.00 H new ATOM 147 N GLY A 29 -3.240 -14.705 -0.817 1.00 0.00 N ATOM 148 CA GLY A 29 -3.840 -14.181 -2.055 1.00 0.00 C ATOM 149 C GLY A 29 -3.509 -12.707 -2.341 1.00 0.00 C ATOM 150 O GLY A 29 -4.291 -12.011 -2.995 1.00 0.00 O ATOM 0 H GLY A 29 -2.395 -15.252 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.501 -14.787 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.923 -14.294 -1.997 1.00 0.00 H new ATOM 154 N TRP A 30 -2.378 -12.218 -1.821 1.00 0.00 N ATOM 155 CA TRP A 30 -1.886 -10.839 -1.931 1.00 0.00 C ATOM 156 C TRP A 30 -1.554 -10.370 -3.364 1.00 0.00 C ATOM 157 O TRP A 30 -1.614 -11.124 -4.338 1.00 0.00 O ATOM 158 CB TRP A 30 -0.665 -10.694 -1.004 1.00 0.00 C ATOM 159 CG TRP A 30 0.491 -11.632 -1.216 1.00 0.00 C ATOM 160 CD1 TRP A 30 1.098 -11.926 -2.389 1.00 0.00 C ATOM 161 CD2 TRP A 30 1.206 -12.400 -0.204 1.00 0.00 C ATOM 162 NE1 TRP A 30 2.113 -12.841 -2.173 1.00 0.00 N ATOM 163 CE2 TRP A 30 2.226 -13.168 -0.838 1.00 0.00 C ATOM 164 CE3 TRP A 30 1.093 -12.518 1.195 1.00 0.00 C ATOM 165 CZ2 TRP A 30 3.080 -14.021 -0.122 1.00 0.00 C ATOM 166 CZ3 TRP A 30 1.939 -13.370 1.930 1.00 0.00 C ATOM 167 CH2 TRP A 30 2.930 -14.123 1.273 1.00 0.00 C ATOM 0 H TRP A 30 -1.745 -12.807 -1.281 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.702 -10.183 -1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -0.291 -9.675 -1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.009 -10.813 0.024 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.831 -11.509 -3.349 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.704 -13.226 -2.910 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.341 -11.943 1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.841 -14.591 -0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.827 -13.446 3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.575 -14.779 1.839 1.00 0.00 H new ATOM 178 N SER A 31 -1.142 -9.102 -3.465 1.00 0.00 N ATOM 179 CA SER A 31 -0.657 -8.435 -4.687 1.00 0.00 C ATOM 180 C SER A 31 0.548 -7.526 -4.376 1.00 0.00 C ATOM 181 O SER A 31 0.600 -6.341 -4.714 1.00 0.00 O ATOM 182 CB SER A 31 -1.820 -7.699 -5.365 1.00 0.00 C ATOM 183 OG SER A 31 -1.543 -7.428 -6.733 1.00 0.00 O ATOM 0 H SER A 31 -1.136 -8.478 -2.658 1.00 0.00 H new ATOM 0 HA SER A 31 -0.290 -9.178 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.726 -8.301 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.014 -6.763 -4.840 1.00 0.00 H new ATOM 0 HG SER A 31 -2.305 -6.960 -7.135 1.00 0.00 H new ATOM 189 N GLU A 32 1.519 -8.089 -3.652 1.00 0.00 N ATOM 190 CA GLU A 32 2.803 -7.454 -3.304 1.00 0.00 C ATOM 191 C GLU A 32 3.648 -7.073 -4.550 1.00 0.00 C ATOM 192 O GLU A 32 3.507 -7.703 -5.605 1.00 0.00 O ATOM 193 CB GLU A 32 3.554 -8.356 -2.302 1.00 0.00 C ATOM 194 CG GLU A 32 3.891 -9.788 -2.762 1.00 0.00 C ATOM 195 CD GLU A 32 5.243 -9.919 -3.493 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.296 -9.598 -2.889 1.00 0.00 O ATOM 197 OE2 GLU A 32 5.271 -10.424 -4.642 1.00 0.00 O ATOM 0 H GLU A 32 1.434 -9.033 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 32 2.605 -6.497 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.486 -7.859 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.955 -8.425 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.897 -10.445 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.099 -10.141 -3.422 1.00 0.00 H new ATOM 204 N PRO A 33 4.506 -6.032 -4.470 1.00 0.00 N ATOM 205 CA PRO A 33 5.192 -5.464 -5.636 1.00 0.00 C ATOM 206 C PRO A 33 6.345 -6.339 -6.157 1.00 0.00 C ATOM 207 O PRO A 33 6.927 -7.142 -5.424 1.00 0.00 O ATOM 208 CB PRO A 33 5.700 -4.099 -5.165 1.00 0.00 C ATOM 209 CG PRO A 33 5.941 -4.305 -3.675 1.00 0.00 C ATOM 210 CD PRO A 33 4.783 -5.225 -3.290 1.00 0.00 C ATOM 0 HA PRO A 33 4.511 -5.393 -6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.614 -3.810 -5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.968 -3.313 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.910 -4.764 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.916 -3.365 -3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.049 -5.854 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.906 -4.648 -2.997 1.00 0.00 H new ATOM 218 N VAL A 34 6.715 -6.145 -7.430 1.00 0.00 N ATOM 219 CA VAL A 34 7.833 -6.860 -8.080 1.00 0.00 C ATOM 220 C VAL A 34 9.204 -6.266 -7.716 1.00 0.00 C ATOM 221 O VAL A 34 10.196 -6.997 -7.645 1.00 0.00 O ATOM 222 CB VAL A 34 7.609 -6.932 -9.607 1.00 0.00 C ATOM 223 CG1 VAL A 34 7.725 -5.575 -10.318 1.00 0.00 C ATOM 224 CG2 VAL A 34 8.554 -7.929 -10.284 1.00 0.00 C ATOM 0 H VAL A 34 6.245 -5.482 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 34 7.845 -7.879 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 34 6.579 -7.275 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.555 -5.708 -11.386 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.980 -4.888 -9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.722 -5.164 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.359 -7.945 -11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.587 -7.629 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.390 -8.924 -9.871 1.00 0.00 H new ATOM 234 N LYS A 35 9.263 -4.954 -7.442 1.00 0.00 N ATOM 235 CA LYS A 35 10.460 -4.232 -6.975 1.00 0.00 C ATOM 236 C LYS A 35 10.608 -4.262 -5.442 1.00 0.00 C ATOM 237 O LYS A 35 9.744 -4.788 -4.738 1.00 0.00 O ATOM 238 CB LYS A 35 10.459 -2.804 -7.564 1.00 0.00 C ATOM 239 CG LYS A 35 9.514 -1.787 -6.883 1.00 0.00 C ATOM 240 CD LYS A 35 10.277 -0.607 -6.248 1.00 0.00 C ATOM 241 CE LYS A 35 10.910 0.351 -7.271 1.00 0.00 C ATOM 242 NZ LYS A 35 9.911 1.250 -7.905 1.00 0.00 N ATOM 0 H LYS A 35 8.452 -4.344 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 35 11.348 -4.746 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.475 -2.413 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.191 -2.868 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.806 -1.404 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.932 -2.295 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.592 -0.044 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.061 -1.001 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.673 0.953 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.413 -0.230 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.383 1.851 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.178 0.679 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.472 1.849 -7.177 1.00 0.00 H new ATOM 256 N GLY A 36 11.693 -3.676 -4.932 1.00 0.00 N ATOM 257 CA GLY A 36 11.930 -3.468 -3.498 1.00 0.00 C ATOM 258 C GLY A 36 11.184 -2.241 -2.953 1.00 0.00 C ATOM 259 O GLY A 36 9.960 -2.262 -2.813 1.00 0.00 O ATOM 0 H GLY A 36 12.451 -3.324 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.615 -4.355 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.999 -3.347 -3.323 1.00 0.00 H new ATOM 263 N LEU A 37 11.919 -1.163 -2.658 1.00 0.00 N ATOM 264 CA LEU A 37 11.400 0.118 -2.171 1.00 0.00 C ATOM 265 C LEU A 37 12.373 1.253 -2.551 1.00 0.00 C ATOM 266 O LEU A 37 13.529 1.266 -2.122 1.00 0.00 O ATOM 267 CB LEU A 37 11.180 0.035 -0.645 1.00 0.00 C ATOM 268 CG LEU A 37 10.375 1.219 -0.073 1.00 0.00 C ATOM 269 CD1 LEU A 37 8.887 1.128 -0.422 1.00 0.00 C ATOM 270 CD2 LEU A 37 10.490 1.241 1.451 1.00 0.00 C ATOM 0 H LEU A 37 12.934 -1.160 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 37 10.440 0.337 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.660 -0.894 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.149 -0.008 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 37 10.792 2.124 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.361 1.983 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.767 1.129 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.473 0.207 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.918 2.080 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.097 0.310 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.537 1.348 1.735 1.00 0.00 H new ATOM 282 N CYS A 38 11.918 2.173 -3.397 1.00 0.00 N ATOM 283 CA CYS A 38 12.624 3.392 -3.799 1.00 0.00 C ATOM 284 C CYS A 38 12.749 4.411 -2.637 1.00 0.00 C ATOM 285 O CYS A 38 12.158 4.244 -1.565 1.00 0.00 O ATOM 286 CB CYS A 38 11.867 3.981 -5.005 1.00 0.00 C ATOM 287 SG CYS A 38 12.880 5.180 -5.925 1.00 0.00 S ATOM 0 H CYS A 38 11.005 2.088 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 38 13.651 3.154 -4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.564 3.174 -5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.955 4.467 -4.659 1.00 0.00 H new ATOM 0 HG CYS A 38 12.198 5.644 -6.930 1.00 0.00 H new ATOM 293 N LYS A 39 13.501 5.498 -2.861 1.00 0.00 N ATOM 294 CA LYS A 39 13.772 6.589 -1.900 1.00 0.00 C ATOM 295 C LYS A 39 13.106 7.932 -2.247 1.00 0.00 C ATOM 296 O LYS A 39 13.359 8.934 -1.577 1.00 0.00 O ATOM 297 CB LYS A 39 15.291 6.675 -1.634 1.00 0.00 C ATOM 298 CG LYS A 39 16.199 7.036 -2.826 1.00 0.00 C ATOM 299 CD LYS A 39 16.229 8.535 -3.161 1.00 0.00 C ATOM 300 CE LYS A 39 17.359 8.829 -4.156 1.00 0.00 C ATOM 301 NZ LYS A 39 17.486 10.286 -4.428 1.00 0.00 N ATOM 0 H LYS A 39 13.961 5.652 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 39 13.281 6.334 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.455 7.414 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.619 5.713 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.214 6.703 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.863 6.485 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.272 8.840 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.375 9.116 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.301 8.449 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.169 8.300 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.259 10.447 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.595 10.643 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.692 10.788 -3.541 1.00 0.00 H new ATOM 315 N ALA A 40 12.265 7.965 -3.286 1.00 0.00 N ATOM 316 CA ALA A 40 11.512 9.150 -3.713 1.00 0.00 C ATOM 317 C ALA A 40 10.576 9.707 -2.617 1.00 0.00 C ATOM 318 O ALA A 40 10.121 8.984 -1.724 1.00 0.00 O ATOM 319 CB ALA A 40 10.722 8.790 -4.980 1.00 0.00 C ATOM 0 H ALA A 40 12.084 7.147 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 40 12.224 9.949 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.155 9.659 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.413 8.484 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.037 7.971 -4.761 1.00 0.00 H new ATOM 325 N ARG A 41 10.241 11.001 -2.721 1.00 0.00 N ATOM 326 CA ARG A 41 9.374 11.751 -1.784 1.00 0.00 C ATOM 327 C ARG A 41 7.859 11.560 -2.001 1.00 0.00 C ATOM 328 O ARG A 41 7.057 12.207 -1.328 1.00 0.00 O ATOM 329 CB ARG A 41 9.800 13.234 -1.783 1.00 0.00 C ATOM 330 CG ARG A 41 9.482 13.998 -3.085 1.00 0.00 C ATOM 331 CD ARG A 41 10.240 15.330 -3.177 1.00 0.00 C ATOM 332 NE ARG A 41 9.908 16.254 -2.072 1.00 0.00 N ATOM 333 CZ ARG A 41 10.610 17.302 -1.676 1.00 0.00 C ATOM 334 NH1 ARG A 41 11.713 17.664 -2.270 1.00 0.00 N ATOM 335 NH2 ARG A 41 10.214 18.018 -0.662 1.00 0.00 N ATOM 0 H ARG A 41 10.577 11.582 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 41 9.529 11.327 -0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.307 13.739 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.873 13.289 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.740 13.375 -3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.410 14.188 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.312 15.134 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.009 15.810 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 41 9.046 16.063 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.060 17.133 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.228 18.479 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.357 17.771 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.761 18.825 -0.363 1.00 0.00 H new ATOM 349 N PHE A 42 7.466 10.687 -2.931 1.00 0.00 N ATOM 350 CA PHE A 42 6.088 10.369 -3.314 1.00 0.00 C ATOM 351 C PHE A 42 5.935 8.859 -3.575 1.00 0.00 C ATOM 352 O PHE A 42 6.579 8.296 -4.464 1.00 0.00 O ATOM 353 CB PHE A 42 5.663 11.224 -4.526 1.00 0.00 C ATOM 354 CG PHE A 42 6.488 11.055 -5.795 1.00 0.00 C ATOM 355 CD1 PHE A 42 7.703 11.751 -5.950 1.00 0.00 C ATOM 356 CD2 PHE A 42 6.042 10.207 -6.829 1.00 0.00 C ATOM 357 CE1 PHE A 42 8.474 11.589 -7.114 1.00 0.00 C ATOM 358 CE2 PHE A 42 6.814 10.040 -7.993 1.00 0.00 C ATOM 359 CZ PHE A 42 8.030 10.730 -8.135 1.00 0.00 C ATOM 0 H PHE A 42 8.144 10.149 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 42 5.417 10.617 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.624 10.992 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.697 12.273 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.045 12.414 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.103 9.683 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.406 12.123 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.472 9.381 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.623 10.601 -9.028 1.00 0.00 H new ATOM 369 N THR A 43 5.092 8.197 -2.779 1.00 0.00 N ATOM 370 CA THR A 43 4.794 6.753 -2.863 1.00 0.00 C ATOM 371 C THR A 43 3.310 6.485 -2.571 1.00 0.00 C ATOM 372 O THR A 43 2.665 7.276 -1.878 1.00 0.00 O ATOM 373 CB THR A 43 5.677 5.948 -1.883 1.00 0.00 C ATOM 374 OG1 THR A 43 6.986 6.475 -1.780 1.00 0.00 O ATOM 375 CG2 THR A 43 5.842 4.509 -2.365 1.00 0.00 C ATOM 0 H THR A 43 4.577 8.661 -2.031 1.00 0.00 H new ATOM 0 HA THR A 43 5.017 6.427 -3.879 1.00 0.00 H new ATOM 0 HB THR A 43 5.170 6.002 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.507 5.936 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.467 3.959 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.864 4.033 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.313 4.506 -3.348 1.00 0.00 H new ATOM 383 N ARG A 44 2.751 5.378 -3.087 1.00 0.00 N ATOM 384 CA ARG A 44 1.323 5.023 -2.956 1.00 0.00 C ATOM 385 C ARG A 44 1.108 3.964 -1.860 1.00 0.00 C ATOM 386 O ARG A 44 2.004 3.166 -1.577 1.00 0.00 O ATOM 387 CB ARG A 44 0.816 4.589 -4.348 1.00 0.00 C ATOM 388 CG ARG A 44 -0.696 4.756 -4.557 1.00 0.00 C ATOM 389 CD ARG A 44 -1.053 4.554 -6.039 1.00 0.00 C ATOM 390 NE ARG A 44 -2.417 5.031 -6.342 1.00 0.00 N ATOM 391 CZ ARG A 44 -3.348 4.437 -7.069 1.00 0.00 C ATOM 392 NH1 ARG A 44 -3.217 3.233 -7.533 1.00 0.00 N ATOM 393 NH2 ARG A 44 -4.465 5.042 -7.348 1.00 0.00 N ATOM 0 H ARG A 44 3.286 4.690 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 44 0.736 5.881 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.341 5.168 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.078 3.543 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.237 4.035 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.008 5.749 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.334 5.086 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.973 3.497 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.673 5.933 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.367 2.702 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.964 2.817 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.632 5.988 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.174 4.571 -7.910 1.00 0.00 H new ATOM 407 N TYR A 45 -0.072 3.963 -1.235 1.00 0.00 N ATOM 408 CA TYR A 45 -0.412 3.098 -0.093 1.00 0.00 C ATOM 409 C TYR A 45 -1.685 2.281 -0.374 1.00 0.00 C ATOM 410 O TYR A 45 -2.660 2.821 -0.909 1.00 0.00 O ATOM 411 CB TYR A 45 -0.588 3.935 1.193 1.00 0.00 C ATOM 412 CG TYR A 45 0.452 5.009 1.505 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.827 4.802 1.276 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.030 6.232 2.062 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.766 5.810 1.571 1.00 0.00 C ATOM 416 CE2 TYR A 45 0.959 7.252 2.346 1.00 0.00 C ATOM 417 CZ TYR A 45 2.332 7.045 2.101 1.00 0.00 C ATOM 418 OH TYR A 45 3.227 8.028 2.395 1.00 0.00 O ATOM 0 H TYR A 45 -0.838 4.576 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 45 0.414 2.402 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.563 4.420 1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.618 3.246 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.165 3.860 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.017 6.389 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.817 5.638 1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.619 8.193 2.752 1.00 0.00 H new ATOM 0 HH TYR A 45 2.751 8.808 2.749 1.00 0.00 H new ATOM 428 N TYR A 46 -1.692 1.001 0.016 1.00 0.00 N ATOM 429 CA TYR A 46 -2.785 0.044 -0.237 1.00 0.00 C ATOM 430 C TYR A 46 -3.154 -0.721 1.040 1.00 0.00 C ATOM 431 O TYR A 46 -2.262 -1.178 1.759 1.00 0.00 O ATOM 432 CB TYR A 46 -2.378 -0.962 -1.334 1.00 0.00 C ATOM 433 CG TYR A 46 -1.702 -0.379 -2.565 1.00 0.00 C ATOM 434 CD1 TYR A 46 -2.280 0.704 -3.253 1.00 0.00 C ATOM 435 CD2 TYR A 46 -0.477 -0.915 -3.011 1.00 0.00 C ATOM 436 CE1 TYR A 46 -1.610 1.285 -4.346 1.00 0.00 C ATOM 437 CE2 TYR A 46 0.195 -0.341 -4.107 1.00 0.00 C ATOM 438 CZ TYR A 46 -0.366 0.773 -4.767 1.00 0.00 C ATOM 439 OH TYR A 46 0.269 1.336 -5.830 1.00 0.00 O ATOM 0 H TYR A 46 -0.916 0.586 0.532 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.653 0.614 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.707 -1.698 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.271 -1.498 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.239 1.090 -2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.051 -1.771 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.050 2.125 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.136 -0.752 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 46 1.115 0.868 -5.991 1.00 0.00 H new ATOM 449 N CYS A 47 -4.453 -0.882 1.330 1.00 0.00 N ATOM 450 CA CYS A 47 -4.927 -1.773 2.393 1.00 0.00 C ATOM 451 C CYS A 47 -4.949 -3.237 1.917 1.00 0.00 C ATOM 452 O CYS A 47 -5.816 -3.634 1.136 1.00 0.00 O ATOM 453 CB CYS A 47 -6.288 -1.331 2.949 1.00 0.00 C ATOM 454 SG CYS A 47 -6.749 -2.309 4.409 1.00 0.00 S ATOM 0 H CYS A 47 -5.202 -0.398 0.834 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.218 -1.705 3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.250 -0.274 3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.051 -1.440 2.179 1.00 0.00 H new ATOM 459 N MET A 48 -3.977 -4.035 2.370 1.00 0.00 N ATOM 460 CA MET A 48 -3.819 -5.443 1.964 1.00 0.00 C ATOM 461 C MET A 48 -4.830 -6.396 2.631 1.00 0.00 C ATOM 462 O MET A 48 -5.049 -7.501 2.134 1.00 0.00 O ATOM 463 CB MET A 48 -2.389 -5.919 2.264 1.00 0.00 C ATOM 464 CG MET A 48 -1.308 -5.100 1.544 1.00 0.00 C ATOM 465 SD MET A 48 -1.301 -5.185 -0.271 1.00 0.00 S ATOM 466 CE MET A 48 -0.421 -6.752 -0.521 1.00 0.00 C ATOM 0 H MET A 48 -3.269 -3.723 3.035 1.00 0.00 H new ATOM 0 HA MET A 48 -4.017 -5.475 0.893 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.216 -5.869 3.339 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.294 -6.965 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.420 -4.056 1.836 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.334 -5.429 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.175 -6.867 -1.577 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.496 -6.752 0.068 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.055 -7.580 -0.204 1.00 0.00 H new ATOM 476 N GLY A 49 -5.458 -5.983 3.741 1.00 0.00 N ATOM 477 CA GLY A 49 -6.463 -6.768 4.471 1.00 0.00 C ATOM 478 C GLY A 49 -7.056 -6.013 5.664 1.00 0.00 C ATOM 479 O GLY A 49 -8.157 -5.469 5.573 1.00 0.00 O ATOM 0 H GLY A 49 -5.277 -5.073 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.266 -7.046 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.008 -7.694 4.823 1.00 0.00 H new ATOM 483 N ASN A 50 -6.311 -5.956 6.774 1.00 0.00 N ATOM 484 CA ASN A 50 -6.697 -5.267 8.018 1.00 0.00 C ATOM 485 C ASN A 50 -5.887 -3.982 8.304 1.00 0.00 C ATOM 486 O ASN A 50 -6.155 -3.288 9.285 1.00 0.00 O ATOM 487 CB ASN A 50 -6.613 -6.271 9.185 1.00 0.00 C ATOM 488 CG ASN A 50 -5.182 -6.658 9.530 1.00 0.00 C ATOM 489 OD1 ASN A 50 -4.606 -7.564 8.948 1.00 0.00 O ATOM 490 ND2 ASN A 50 -4.560 -5.979 10.466 1.00 0.00 N ATOM 0 H ASN A 50 -5.395 -6.400 6.837 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.722 -4.916 7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.090 -5.839 10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.175 -7.169 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.596 -6.208 10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.041 -5.222 10.952 1.00 0.00 H new ATOM 497 N CYS A 51 -4.895 -3.671 7.470 1.00 0.00 N ATOM 498 CA CYS A 51 -3.965 -2.546 7.589 1.00 0.00 C ATOM 499 C CYS A 51 -3.533 -2.073 6.189 1.00 0.00 C ATOM 500 O CYS A 51 -3.572 -2.864 5.239 1.00 0.00 O ATOM 501 CB CYS A 51 -2.748 -3.030 8.400 1.00 0.00 C ATOM 502 SG CYS A 51 -1.903 -4.474 7.682 1.00 0.00 S ATOM 0 H CYS A 51 -4.707 -4.233 6.640 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.438 -1.704 8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.034 -2.211 8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.073 -3.278 9.410 1.00 0.00 H new ATOM 507 N CYS A 52 -3.068 -0.824 6.059 1.00 0.00 N ATOM 508 CA CYS A 52 -2.404 -0.338 4.844 1.00 0.00 C ATOM 509 C CYS A 52 -0.905 -0.063 5.043 1.00 0.00 C ATOM 510 O CYS A 52 -0.455 0.313 6.129 1.00 0.00 O ATOM 511 CB CYS A 52 -3.158 0.842 4.201 1.00 0.00 C ATOM 512 SG CYS A 52 -3.527 2.315 5.190 1.00 0.00 S ATOM 0 H CYS A 52 -3.142 -0.121 6.795 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.449 -1.155 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.579 1.167 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.105 0.457 3.824 1.00 0.00 H new ATOM 517 N LYS A 53 -0.138 -0.278 3.967 1.00 0.00 N ATOM 518 CA LYS A 53 1.330 -0.169 3.900 1.00 0.00 C ATOM 519 C LYS A 53 1.794 0.459 2.587 1.00 0.00 C ATOM 520 O LYS A 53 1.023 0.591 1.633 1.00 0.00 O ATOM 521 CB LYS A 53 1.959 -1.569 4.090 1.00 0.00 C ATOM 522 CG LYS A 53 2.582 -1.735 5.482 1.00 0.00 C ATOM 523 CD LYS A 53 3.005 -3.181 5.764 1.00 0.00 C ATOM 524 CE LYS A 53 4.189 -3.666 4.924 1.00 0.00 C ATOM 525 NZ LYS A 53 5.477 -3.013 5.291 1.00 0.00 N ATOM 0 H LYS A 53 -0.543 -0.547 3.071 1.00 0.00 H new ATOM 0 HA LYS A 53 1.662 0.490 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.196 -2.333 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.723 -1.729 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.450 -1.082 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.865 -1.415 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.261 -3.273 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.154 -3.838 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.290 -4.745 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.981 -3.477 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.238 -3.383 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.396 -1.985 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.697 -3.214 6.287 1.00 0.00 H new ATOM 539 N VAL A 54 3.073 0.833 2.555 1.00 0.00 N ATOM 540 CA VAL A 54 3.762 1.379 1.374 1.00 0.00 C ATOM 541 C VAL A 54 4.207 0.274 0.411 1.00 0.00 C ATOM 542 O VAL A 54 4.898 -0.666 0.806 1.00 0.00 O ATOM 543 CB VAL A 54 4.917 2.312 1.797 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.141 1.615 2.401 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.392 3.140 0.605 1.00 0.00 C ATOM 0 H VAL A 54 3.681 0.764 3.371 1.00 0.00 H new ATOM 0 HA VAL A 54 3.050 1.987 0.816 1.00 0.00 H new ATOM 0 HB VAL A 54 4.485 2.929 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.892 2.360 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.844 1.069 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.559 0.919 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.207 3.793 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.743 2.474 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.566 3.744 0.229 1.00 0.00 H new ATOM 555 N TYR A 55 3.801 0.392 -0.856 1.00 0.00 N ATOM 556 CA TYR A 55 4.156 -0.516 -1.953 1.00 0.00 C ATOM 557 C TYR A 55 4.277 0.256 -3.283 1.00 0.00 C ATOM 558 O TYR A 55 3.848 1.406 -3.392 1.00 0.00 O ATOM 559 CB TYR A 55 3.097 -1.629 -2.060 1.00 0.00 C ATOM 560 CG TYR A 55 2.916 -2.498 -0.824 1.00 0.00 C ATOM 561 CD1 TYR A 55 3.903 -3.440 -0.469 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.764 -2.361 -0.023 1.00 0.00 C ATOM 563 CE1 TYR A 55 3.729 -4.261 0.663 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.591 -3.175 1.114 1.00 0.00 C ATOM 565 CZ TYR A 55 2.568 -4.135 1.452 1.00 0.00 C ATOM 566 OH TYR A 55 2.412 -4.925 2.550 1.00 0.00 O ATOM 0 H TYR A 55 3.192 1.152 -1.159 1.00 0.00 H new ATOM 0 HA TYR A 55 5.126 -0.968 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.138 -1.169 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.360 -2.274 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.797 -3.533 -1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.012 -1.630 -0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.485 -4.986 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.709 -3.064 1.728 1.00 0.00 H new ATOM 0 HH TYR A 55 1.560 -4.715 2.986 1.00 0.00 H new ATOM 576 N GLU A 56 4.861 -0.367 -4.311 1.00 0.00 N ATOM 577 CA GLU A 56 5.196 0.278 -5.592 1.00 0.00 C ATOM 578 C GLU A 56 4.974 -0.664 -6.791 1.00 0.00 C ATOM 579 O GLU A 56 5.787 -1.555 -7.051 1.00 0.00 O ATOM 580 CB GLU A 56 6.661 0.737 -5.570 1.00 0.00 C ATOM 581 CG GLU A 56 6.928 1.925 -4.639 1.00 0.00 C ATOM 582 CD GLU A 56 8.375 2.402 -4.818 1.00 0.00 C ATOM 583 OE1 GLU A 56 8.742 2.826 -5.941 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.171 2.292 -3.862 1.00 0.00 O ATOM 0 H GLU A 56 5.121 -1.353 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 56 4.532 1.134 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.289 -0.100 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.962 1.007 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.236 2.737 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.756 1.634 -3.603 1.00 0.00 H new ATOM 591 N GLY A 57 3.883 -0.478 -7.536 1.00 0.00 N ATOM 592 CA GLY A 57 3.558 -1.287 -8.718 1.00 0.00 C ATOM 593 C GLY A 57 2.280 -0.843 -9.437 1.00 0.00 C ATOM 594 O GLY A 57 1.640 0.137 -9.055 1.00 0.00 O ATOM 0 H GLY A 57 3.192 0.245 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.392 -1.242 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.451 -2.329 -8.416 1.00 0.00 H new ATOM 598 N CYS A 58 1.888 -1.594 -10.471 1.00 0.00 N ATOM 599 CA CYS A 58 0.713 -1.378 -11.335 1.00 0.00 C ATOM 600 C CYS A 58 -0.662 -1.579 -10.642 1.00 0.00 C ATOM 601 O CYS A 58 -1.686 -1.716 -11.315 1.00 0.00 O ATOM 602 CB CYS A 58 0.852 -2.303 -12.558 1.00 0.00 C ATOM 603 SG CYS A 58 2.414 -1.993 -13.443 1.00 0.00 S ATOM 0 H CYS A 58 2.414 -2.423 -10.748 1.00 0.00 H new ATOM 0 HA CYS A 58 0.711 -0.326 -11.621 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.813 -3.344 -12.237 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.011 -2.146 -13.233 1.00 0.00 H new ATOM 0 HG CYS A 58 2.499 -2.791 -14.466 1.00 0.00 H new ATOM 609 N TYR A 59 -0.699 -1.632 -9.307 1.00 0.00 N ATOM 610 CA TYR A 59 -1.866 -1.818 -8.441 1.00 0.00 C ATOM 611 C TYR A 59 -2.886 -0.680 -8.645 1.00 0.00 C ATOM 612 O TYR A 59 -2.731 0.423 -8.120 1.00 0.00 O ATOM 613 CB TYR A 59 -1.368 -1.921 -6.986 1.00 0.00 C ATOM 614 CG TYR A 59 -2.275 -2.610 -5.972 1.00 0.00 C ATOM 615 CD1 TYR A 59 -3.668 -2.390 -5.950 1.00 0.00 C ATOM 616 CD2 TYR A 59 -1.695 -3.465 -5.010 1.00 0.00 C ATOM 617 CE1 TYR A 59 -4.479 -3.050 -5.008 1.00 0.00 C ATOM 618 CE2 TYR A 59 -2.499 -4.112 -4.053 1.00 0.00 C ATOM 619 CZ TYR A 59 -3.896 -3.917 -4.057 1.00 0.00 C ATOM 620 OH TYR A 59 -4.670 -4.563 -3.142 1.00 0.00 O ATOM 0 H TYR A 59 0.157 -1.538 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.394 -2.737 -8.695 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.414 -2.448 -6.995 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.171 -0.911 -6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.115 -1.711 -6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.627 -3.624 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.548 -2.894 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.046 -4.758 -3.315 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.103 -5.118 -2.568 1.00 0.00 H new ATOM 630 N THR A 60 -3.932 -0.951 -9.428 1.00 0.00 N ATOM 631 CA THR A 60 -4.987 -0.004 -9.843 1.00 0.00 C ATOM 632 C THR A 60 -5.656 0.708 -8.656 1.00 0.00 C ATOM 633 O THR A 60 -5.582 1.936 -8.546 1.00 0.00 O ATOM 634 CB THR A 60 -6.046 -0.737 -10.693 1.00 0.00 C ATOM 635 OG1 THR A 60 -5.429 -1.483 -11.724 1.00 0.00 O ATOM 636 CG2 THR A 60 -7.046 0.210 -11.358 1.00 0.00 C ATOM 0 H THR A 60 -4.080 -1.884 -9.814 1.00 0.00 H new ATOM 0 HA THR A 60 -4.504 0.771 -10.439 1.00 0.00 H new ATOM 0 HB THR A 60 -6.580 -1.382 -9.995 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.116 -1.942 -12.251 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.763 -0.369 -11.940 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.574 0.777 -10.592 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.514 0.897 -12.016 1.00 0.00 H new ATOM 644 N GLY A 61 -6.300 -0.050 -7.763 1.00 0.00 N ATOM 645 CA GLY A 61 -7.089 0.452 -6.632 1.00 0.00 C ATOM 646 C GLY A 61 -6.234 0.890 -5.438 1.00 0.00 C ATOM 647 O GLY A 61 -5.909 0.074 -4.575 1.00 0.00 O ATOM 0 H GLY A 61 -6.286 -1.069 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.692 1.296 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.781 -0.326 -6.308 1.00 0.00 H new ATOM 651 N GLY A 62 -5.892 2.179 -5.380 1.00 0.00 N ATOM 652 CA GLY A 62 -5.166 2.812 -4.272 1.00 0.00 C ATOM 653 C GLY A 62 -5.562 4.274 -4.046 1.00 0.00 C ATOM 654 O GLY A 62 -6.337 4.846 -4.816 1.00 0.00 O ATOM 0 H GLY A 62 -6.120 2.835 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.349 2.248 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.096 2.759 -4.471 1.00 0.00 H new ATOM 658 N TYR A 63 -5.016 4.883 -2.989 1.00 0.00 N ATOM 659 CA TYR A 63 -5.514 6.160 -2.449 1.00 0.00 C ATOM 660 C TYR A 63 -4.493 7.310 -2.419 1.00 0.00 C ATOM 661 O TYR A 63 -4.882 8.471 -2.293 1.00 0.00 O ATOM 662 CB TYR A 63 -6.060 5.910 -1.037 1.00 0.00 C ATOM 663 CG TYR A 63 -7.096 4.805 -0.935 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.434 5.059 -1.293 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.716 3.521 -0.497 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.397 4.034 -1.205 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.679 2.497 -0.394 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.022 2.751 -0.747 1.00 0.00 C ATOM 669 OH TYR A 63 -9.944 1.755 -0.651 1.00 0.00 O ATOM 0 H TYR A 63 -4.216 4.507 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.289 6.498 -3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.226 5.667 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.500 6.835 -0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.723 6.042 -1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.686 3.321 -0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.421 4.229 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.389 1.517 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.512 0.940 -0.320 1.00 0.00 H new ATOM 679 N SER A 64 -3.191 7.011 -2.523 1.00 0.00 N ATOM 680 CA SER A 64 -2.058 7.963 -2.450 1.00 0.00 C ATOM 681 C SER A 64 -1.944 8.789 -1.145 1.00 0.00 C ATOM 682 O SER A 64 -1.059 9.638 -1.015 1.00 0.00 O ATOM 683 CB SER A 64 -2.058 8.853 -3.704 1.00 0.00 C ATOM 684 OG SER A 64 -0.735 9.194 -4.086 1.00 0.00 O ATOM 0 H SER A 64 -2.876 6.052 -2.668 1.00 0.00 H new ATOM 0 HA SER A 64 -1.157 7.351 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.554 8.333 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.630 9.761 -3.510 1.00 0.00 H new ATOM 0 HG SER A 64 -0.761 9.759 -4.886 1.00 0.00 H new ATOM 690 N ARG A 65 -2.804 8.531 -0.145 1.00 0.00 N ATOM 691 CA ARG A 65 -2.830 9.164 1.187 1.00 0.00 C ATOM 692 C ARG A 65 -3.089 8.133 2.286 1.00 0.00 C ATOM 693 O ARG A 65 -3.879 7.204 2.110 1.00 0.00 O ATOM 694 CB ARG A 65 -3.927 10.242 1.245 1.00 0.00 C ATOM 695 CG ARG A 65 -3.686 11.489 0.380 1.00 0.00 C ATOM 696 CD ARG A 65 -2.527 12.340 0.915 1.00 0.00 C ATOM 697 NE ARG A 65 -2.504 13.670 0.275 1.00 0.00 N ATOM 698 CZ ARG A 65 -1.905 14.764 0.715 1.00 0.00 C ATOM 699 NH1 ARG A 65 -1.172 14.768 1.792 1.00 0.00 N ATOM 700 NH2 ARG A 65 -2.037 15.891 0.076 1.00 0.00 N ATOM 0 H ARG A 65 -3.543 7.835 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.854 9.619 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.871 9.789 0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.044 10.559 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.470 11.184 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.594 12.091 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.624 12.454 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.582 11.829 0.732 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.008 13.755 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.045 13.908 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.725 15.631 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.605 15.934 -0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.572 16.731 0.421 1.00 0.00 H new ATOM 714 N MET A 66 -2.432 8.321 3.429 1.00 0.00 N ATOM 715 CA MET A 66 -2.492 7.409 4.578 1.00 0.00 C ATOM 716 C MET A 66 -3.846 7.460 5.308 1.00 0.00 C ATOM 717 O MET A 66 -4.322 6.437 5.796 1.00 0.00 O ATOM 718 CB MET A 66 -1.320 7.741 5.516 1.00 0.00 C ATOM 719 CG MET A 66 -1.174 6.780 6.705 1.00 0.00 C ATOM 720 SD MET A 66 -0.889 5.030 6.302 1.00 0.00 S ATOM 721 CE MET A 66 0.784 5.100 5.604 1.00 0.00 C ATOM 0 H MET A 66 -1.829 9.128 3.589 1.00 0.00 H new ATOM 0 HA MET A 66 -2.402 6.383 4.222 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.395 7.732 4.940 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.449 8.754 5.896 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.347 7.127 7.325 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.077 6.848 7.312 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.765 4.737 4.576 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.142 6.130 5.619 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.452 4.475 6.197 1.00 0.00 H new ATOM 731 N GLY A 67 -4.509 8.624 5.333 1.00 0.00 N ATOM 732 CA GLY A 67 -5.852 8.763 5.914 1.00 0.00 C ATOM 733 C GLY A 67 -6.891 7.978 5.112 1.00 0.00 C ATOM 734 O GLY A 67 -7.673 7.198 5.653 1.00 0.00 O ATOM 0 H GLY A 67 -4.132 9.492 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.843 8.409 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.131 9.816 5.941 1.00 0.00 H new ATOM 738 N GLU A 68 -6.864 8.151 3.795 1.00 0.00 N ATOM 739 CA GLU A 68 -7.766 7.520 2.841 1.00 0.00 C ATOM 740 C GLU A 68 -7.616 5.986 2.778 1.00 0.00 C ATOM 741 O GLU A 68 -8.632 5.293 2.688 1.00 0.00 O ATOM 742 CB GLU A 68 -7.594 8.167 1.456 1.00 0.00 C ATOM 743 CG GLU A 68 -8.208 9.572 1.302 1.00 0.00 C ATOM 744 CD GLU A 68 -7.346 10.770 1.765 1.00 0.00 C ATOM 745 OE1 GLU A 68 -6.700 10.714 2.837 1.00 0.00 O ATOM 746 OE2 GLU A 68 -7.348 11.807 1.059 1.00 0.00 O ATOM 0 H GLU A 68 -6.183 8.762 3.345 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.783 7.693 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.529 8.228 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.040 7.510 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.456 9.720 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.146 9.595 1.857 1.00 0.00 H new ATOM 753 N CYS A 69 -6.401 5.427 2.889 1.00 0.00 N ATOM 754 CA CYS A 69 -6.229 3.969 3.011 1.00 0.00 C ATOM 755 C CYS A 69 -6.676 3.412 4.378 1.00 0.00 C ATOM 756 O CYS A 69 -7.116 2.263 4.459 1.00 0.00 O ATOM 757 CB CYS A 69 -4.797 3.553 2.638 1.00 0.00 C ATOM 758 SG CYS A 69 -3.442 3.831 3.817 1.00 0.00 S ATOM 0 H CYS A 69 -5.529 5.956 2.897 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.904 3.509 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.817 2.487 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.537 4.072 1.715 1.00 0.00 H new ATOM 763 N ALA A 70 -6.624 4.224 5.439 1.00 0.00 N ATOM 764 CA ALA A 70 -7.029 3.855 6.791 1.00 0.00 C ATOM 765 C ALA A 70 -8.551 3.917 7.000 1.00 0.00 C ATOM 766 O ALA A 70 -9.100 2.986 7.582 1.00 0.00 O ATOM 767 CB ALA A 70 -6.296 4.754 7.794 1.00 0.00 C ATOM 0 H ALA A 70 -6.288 5.185 5.374 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.752 2.813 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.593 4.485 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.220 4.621 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.554 5.796 7.605 1.00 0.00 H new ATOM 773 N ARG A 71 -9.270 4.949 6.519 1.00 0.00 N ATOM 774 CA ARG A 71 -10.729 5.085 6.745 1.00 0.00 C ATOM 775 C ARG A 71 -11.555 3.956 6.109 1.00 0.00 C ATOM 776 O ARG A 71 -12.640 3.630 6.588 1.00 0.00 O ATOM 777 CB ARG A 71 -11.216 6.474 6.287 1.00 0.00 C ATOM 778 CG ARG A 71 -11.170 6.621 4.762 1.00 0.00 C ATOM 779 CD ARG A 71 -11.538 8.019 4.274 1.00 0.00 C ATOM 780 NE ARG A 71 -11.420 8.048 2.806 1.00 0.00 N ATOM 781 CZ ARG A 71 -11.953 8.919 1.966 1.00 0.00 C ATOM 782 NH1 ARG A 71 -12.639 9.945 2.379 1.00 0.00 N ATOM 783 NH2 ARG A 71 -11.800 8.779 0.680 1.00 0.00 N ATOM 0 H ARG A 71 -8.865 5.706 5.968 1.00 0.00 H new ATOM 0 HA ARG A 71 -10.891 4.992 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.236 6.635 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.597 7.245 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.168 6.374 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.851 5.897 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.554 8.271 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.878 8.762 4.722 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.859 7.306 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.779 10.096 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.037 10.598 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.265 7.992 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.215 9.456 0.040 1.00 0.00 H new ATOM 797 N ASN A 72 -11.025 3.353 5.041 1.00 0.00 N ATOM 798 CA ASN A 72 -11.589 2.192 4.349 1.00 0.00 C ATOM 799 C ASN A 72 -11.318 0.849 5.066 1.00 0.00 C ATOM 800 O ASN A 72 -11.897 -0.168 4.676 1.00 0.00 O ATOM 801 CB ASN A 72 -11.040 2.181 2.908 1.00 0.00 C ATOM 802 CG ASN A 72 -11.741 3.201 2.028 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.879 3.017 1.615 1.00 0.00 O ATOM 804 ND2 ASN A 72 -11.114 4.309 1.707 1.00 0.00 N ATOM 0 H ASN A 72 -10.155 3.675 4.618 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.675 2.290 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.970 2.390 2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.163 1.186 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.575 5.004 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.166 4.475 2.044 1.00 0.00 H new ATOM 811 N CYS A 73 -10.469 0.827 6.101 1.00 0.00 N ATOM 812 CA CYS A 73 -10.010 -0.387 6.789 1.00 0.00 C ATOM 813 C CYS A 73 -10.105 -0.309 8.337 1.00 0.00 C ATOM 814 O CYS A 73 -10.339 0.767 8.896 1.00 0.00 O ATOM 815 CB CYS A 73 -8.598 -0.695 6.259 1.00 0.00 C ATOM 816 SG CYS A 73 -8.671 -1.799 4.819 1.00 0.00 S ATOM 0 H CYS A 73 -10.070 1.679 6.495 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.678 -1.218 6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.098 0.234 5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.003 -1.157 7.046 1.00 0.00 H new ATOM 821 N PRO A 74 -9.965 -1.438 9.065 1.00 0.00 N ATOM 822 CA PRO A 74 -10.072 -1.463 10.531 1.00 0.00 C ATOM 823 C PRO A 74 -8.811 -0.960 11.266 1.00 0.00 C ATOM 824 O PRO A 74 -8.865 -0.720 12.476 1.00 0.00 O ATOM 825 CB PRO A 74 -10.385 -2.923 10.878 1.00 0.00 C ATOM 826 CG PRO A 74 -9.689 -3.702 9.768 1.00 0.00 C ATOM 827 CD PRO A 74 -9.862 -2.800 8.548 1.00 0.00 C ATOM 0 HA PRO A 74 -10.847 -0.773 10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.002 -3.194 11.862 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.458 -3.113 10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.637 -3.874 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.146 -4.679 9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.015 -2.896 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.755 -3.072 7.985 1.00 0.00 H new ATOM 835 N GLY A 75 -7.687 -0.784 10.554 1.00 0.00 N ATOM 836 CA GLY A 75 -6.387 -0.304 11.056 1.00 0.00 C ATOM 837 C GLY A 75 -5.923 0.970 10.355 1.00 0.00 C ATOM 838 O GLY A 75 -5.515 0.871 9.176 1.00 0.00 O ATOM 839 OXT GLY A 75 -5.960 2.043 10.996 1.00 0.00 O ATOM 0 H GLY A 75 -7.658 -0.984 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.461 -0.119 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.638 -1.084 10.918 1.00 0.00 H new TER 843 GLY A 75