USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 59 TYR OH : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.00989 USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.546 (180deg=0.0949) 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 -176:sc= 0.6 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 1.13 (180deg=1.04) USER MOD Single : A 58 CYS SG : 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 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 2.849 0.780 18.474 1.00 0.00 N ATOM 2 CA GLY A 19 3.362 -0.599 18.324 1.00 0.00 C ATOM 3 C GLY A 19 2.324 -1.617 18.763 1.00 0.00 C ATOM 4 O GLY A 19 2.128 -1.820 19.962 1.00 0.00 O ATOM 0 HA2 GLY A 19 3.635 -0.778 17.284 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.269 -0.720 18.917 1.00 0.00 H new ATOM 10 N ASP A 20 1.633 -2.252 17.810 1.00 0.00 N ATOM 11 CA ASP A 20 0.662 -3.330 18.075 1.00 0.00 C ATOM 12 C ASP A 20 1.355 -4.651 18.502 1.00 0.00 C ATOM 13 O ASP A 20 2.573 -4.810 18.358 1.00 0.00 O ATOM 14 CB ASP A 20 -0.215 -3.524 16.822 1.00 0.00 C ATOM 15 CG ASP A 20 -1.606 -4.086 17.163 1.00 0.00 C ATOM 16 OD1 ASP A 20 -1.705 -5.292 17.484 1.00 0.00 O ATOM 17 OD2 ASP A 20 -2.594 -3.314 17.138 1.00 0.00 O ATOM 0 H ASP A 20 1.731 -2.032 16.819 1.00 0.00 H new ATOM 0 HA ASP A 20 0.033 -3.041 18.917 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.327 -2.569 16.309 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.288 -4.200 16.131 1.00 0.00 H new ATOM 22 N LYS A 21 0.581 -5.614 19.019 1.00 0.00 N ATOM 23 CA LYS A 21 1.015 -6.990 19.321 1.00 0.00 C ATOM 24 C LYS A 21 0.982 -7.889 18.075 1.00 0.00 C ATOM 25 O LYS A 21 1.812 -8.792 17.949 1.00 0.00 O ATOM 26 CB LYS A 21 0.124 -7.595 20.425 1.00 0.00 C ATOM 27 CG LYS A 21 0.462 -7.134 21.855 1.00 0.00 C ATOM 28 CD LYS A 21 0.119 -5.665 22.157 1.00 0.00 C ATOM 29 CE LYS A 21 0.226 -5.336 23.653 1.00 0.00 C ATOM 30 NZ LYS A 21 1.628 -5.380 24.147 1.00 0.00 N ATOM 0 H LYS A 21 -0.400 -5.454 19.248 1.00 0.00 H new ATOM 0 HA LYS A 21 2.047 -6.939 19.667 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.915 -7.342 20.213 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.203 -8.681 20.381 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.071 -7.770 22.562 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.527 -7.287 22.029 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.790 -5.015 21.596 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.893 -5.452 21.812 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.189 -4.344 23.834 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.378 -6.043 24.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.646 -5.151 25.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.018 -6.333 24.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.202 -4.687 23.625 1.00 0.00 H new ATOM 44 N GLU A 22 0.037 -7.657 17.162 1.00 0.00 N ATOM 45 CA GLU A 22 -0.107 -8.383 15.890 1.00 0.00 C ATOM 46 C GLU A 22 0.906 -7.923 14.815 1.00 0.00 C ATOM 47 O GLU A 22 1.647 -6.952 14.999 1.00 0.00 O ATOM 48 CB GLU A 22 -1.550 -8.216 15.369 1.00 0.00 C ATOM 49 CG GLU A 22 -2.631 -8.796 16.297 1.00 0.00 C ATOM 50 CD GLU A 22 -2.497 -10.323 16.463 1.00 0.00 C ATOM 51 OE1 GLU A 22 -2.896 -11.075 15.541 1.00 0.00 O ATOM 52 OE2 GLU A 22 -1.996 -10.785 17.517 1.00 0.00 O ATOM 0 H GLU A 22 -0.674 -6.936 17.288 1.00 0.00 H new ATOM 0 HA GLU A 22 0.106 -9.434 16.087 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.749 -7.155 15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.629 -8.697 14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.563 -8.319 17.274 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.617 -8.561 15.895 1.00 0.00 H new ATOM 59 N GLU A 23 0.915 -8.606 13.663 1.00 0.00 N ATOM 60 CA GLU A 23 1.698 -8.262 12.463 1.00 0.00 C ATOM 61 C GLU A 23 0.780 -7.992 11.252 1.00 0.00 C ATOM 62 O GLU A 23 -0.332 -8.521 11.170 1.00 0.00 O ATOM 63 CB GLU A 23 2.688 -9.396 12.129 1.00 0.00 C ATOM 64 CG GLU A 23 3.739 -9.635 13.221 1.00 0.00 C ATOM 65 CD GLU A 23 4.741 -10.725 12.791 1.00 0.00 C ATOM 66 OE1 GLU A 23 4.479 -11.931 13.028 1.00 0.00 O ATOM 67 OE2 GLU A 23 5.806 -10.385 12.216 1.00 0.00 O ATOM 0 H GLU A 23 0.355 -9.448 13.534 1.00 0.00 H new ATOM 0 HA GLU A 23 2.254 -7.350 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.130 -10.318 11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.195 -9.160 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.272 -8.707 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.246 -9.933 14.147 1.00 0.00 H new ATOM 74 N CYS A 24 1.258 -7.202 10.283 1.00 0.00 N ATOM 75 CA CYS A 24 0.513 -6.815 9.075 1.00 0.00 C ATOM 76 C CYS A 24 0.856 -7.710 7.868 1.00 0.00 C ATOM 77 O CYS A 24 1.291 -7.239 6.812 1.00 0.00 O ATOM 78 CB CYS A 24 0.693 -5.307 8.825 1.00 0.00 C ATOM 79 SG CYS A 24 -0.314 -4.299 9.951 1.00 0.00 S ATOM 0 H CYS A 24 2.196 -6.804 10.316 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.552 -6.986 9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.744 -5.043 8.946 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.423 -5.077 7.794 1.00 0.00 H new ATOM 84 N THR A 25 0.636 -9.017 8.019 1.00 0.00 N ATOM 85 CA THR A 25 0.641 -10.008 6.927 1.00 0.00 C ATOM 86 C THR A 25 -0.538 -9.804 5.962 1.00 0.00 C ATOM 87 O THR A 25 -1.545 -9.173 6.297 1.00 0.00 O ATOM 88 CB THR A 25 0.603 -11.443 7.492 1.00 0.00 C ATOM 89 OG1 THR A 25 -0.424 -11.598 8.454 1.00 0.00 O ATOM 90 CG2 THR A 25 1.918 -11.805 8.183 1.00 0.00 C ATOM 0 H THR A 25 0.443 -9.434 8.930 1.00 0.00 H new ATOM 0 HA THR A 25 1.566 -9.862 6.370 1.00 0.00 H new ATOM 0 HB THR A 25 0.425 -12.095 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.421 -12.519 8.790 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.858 -12.822 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.736 -11.737 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.099 -11.114 9.006 1.00 0.00 H new ATOM 98 N VAL A 26 -0.422 -10.345 4.748 1.00 0.00 N ATOM 99 CA VAL A 26 -1.472 -10.305 3.707 1.00 0.00 C ATOM 100 C VAL A 26 -2.547 -11.393 3.919 1.00 0.00 C ATOM 101 O VAL A 26 -2.258 -12.417 4.549 1.00 0.00 O ATOM 102 CB VAL A 26 -0.853 -10.450 2.299 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.189 -9.353 2.046 1.00 0.00 C ATOM 104 CG2 VAL A 26 -0.185 -11.807 2.062 1.00 0.00 C ATOM 0 H VAL A 26 0.420 -10.836 4.446 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.960 -9.334 3.790 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.690 -10.359 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.611 -9.475 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.287 -8.375 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.984 -9.428 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.228 -11.838 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.617 -11.949 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.923 -12.601 2.177 1.00 0.00 H new ATOM 114 N PRO A 27 -3.770 -11.229 3.373 1.00 0.00 N ATOM 115 CA PRO A 27 -4.751 -12.313 3.269 1.00 0.00 C ATOM 116 C PRO A 27 -4.409 -13.293 2.126 1.00 0.00 C ATOM 117 O PRO A 27 -3.436 -13.113 1.389 1.00 0.00 O ATOM 118 CB PRO A 27 -6.089 -11.600 3.046 1.00 0.00 C ATOM 119 CG PRO A 27 -5.679 -10.392 2.212 1.00 0.00 C ATOM 120 CD PRO A 27 -4.319 -10.006 2.799 1.00 0.00 C ATOM 0 HA PRO A 27 -4.770 -12.938 4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.804 -12.233 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.555 -11.306 3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.605 -10.640 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.400 -9.579 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.660 -9.606 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.427 -9.232 3.559 1.00 0.00 H new ATOM 128 N ILE A 28 -5.222 -14.345 1.980 1.00 0.00 N ATOM 129 CA ILE A 28 -5.049 -15.442 1.014 1.00 0.00 C ATOM 130 C ILE A 28 -4.905 -14.924 -0.431 1.00 0.00 C ATOM 131 O ILE A 28 -5.697 -14.100 -0.895 1.00 0.00 O ATOM 132 CB ILE A 28 -6.211 -16.465 1.121 1.00 0.00 C ATOM 133 CG1 ILE A 28 -6.477 -16.952 2.570 1.00 0.00 C ATOM 134 CG2 ILE A 28 -5.916 -17.699 0.246 1.00 0.00 C ATOM 135 CD1 ILE A 28 -7.574 -16.165 3.304 1.00 0.00 C ATOM 0 H ILE A 28 -6.056 -14.463 2.556 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.119 -15.950 1.269 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.101 -15.938 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.757 -18.005 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.551 -16.883 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.739 -18.409 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.807 -17.390 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.993 -18.171 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.699 -16.567 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.289 -15.115 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.513 -16.254 2.758 1.00 0.00 H new ATOM 147 N GLY A 29 -3.899 -15.440 -1.145 1.00 0.00 N ATOM 148 CA GLY A 29 -3.611 -15.185 -2.564 1.00 0.00 C ATOM 149 C GLY A 29 -2.243 -14.537 -2.804 1.00 0.00 C ATOM 150 O GLY A 29 -1.478 -14.998 -3.656 1.00 0.00 O ATOM 0 H GLY A 29 -3.226 -16.082 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.659 -16.127 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.387 -14.538 -2.973 1.00 0.00 H new ATOM 154 N TRP A 30 -1.927 -13.476 -2.056 1.00 0.00 N ATOM 155 CA TRP A 30 -0.672 -12.714 -2.147 1.00 0.00 C ATOM 156 C TRP A 30 0.448 -13.261 -1.235 1.00 0.00 C ATOM 157 O TRP A 30 0.296 -14.309 -0.600 1.00 0.00 O ATOM 158 CB TRP A 30 -0.985 -11.232 -1.907 1.00 0.00 C ATOM 159 CG TRP A 30 -1.980 -10.667 -2.874 1.00 0.00 C ATOM 160 CD1 TRP A 30 -1.827 -10.601 -4.216 1.00 0.00 C ATOM 161 CD2 TRP A 30 -3.303 -10.130 -2.599 1.00 0.00 C ATOM 162 NE1 TRP A 30 -2.952 -10.030 -4.784 1.00 0.00 N ATOM 163 CE2 TRP A 30 -3.893 -9.709 -3.828 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.062 -9.968 -1.426 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -5.166 -9.123 -3.885 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -5.337 -9.368 -1.466 1.00 0.00 C ATOM 167 CH2 TRP A 30 -5.888 -8.944 -2.690 1.00 0.00 C ATOM 0 H TRP A 30 -2.559 -13.109 -1.344 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.260 -12.831 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -1.365 -11.109 -0.893 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.060 -10.658 -1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.959 -10.942 -4.761 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.071 -9.867 -5.784 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -3.663 -10.308 -0.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.586 -8.814 -4.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.895 -9.233 -0.551 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.864 -8.482 -2.712 1.00 0.00 H new ATOM 178 N SER A 31 1.587 -12.557 -1.177 1.00 0.00 N ATOM 179 CA SER A 31 2.742 -12.881 -0.319 1.00 0.00 C ATOM 180 C SER A 31 3.301 -11.633 0.388 1.00 0.00 C ATOM 181 O SER A 31 2.989 -11.404 1.558 1.00 0.00 O ATOM 182 CB SER A 31 3.802 -13.635 -1.134 1.00 0.00 C ATOM 183 OG SER A 31 4.870 -14.069 -0.307 1.00 0.00 O ATOM 0 H SER A 31 1.737 -11.721 -1.742 1.00 0.00 H new ATOM 0 HA SER A 31 2.410 -13.542 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.345 -14.495 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.188 -12.988 -1.922 1.00 0.00 H new ATOM 0 HG SER A 31 5.530 -14.548 -0.850 1.00 0.00 H new ATOM 189 N GLU A 32 4.094 -10.797 -0.292 1.00 0.00 N ATOM 190 CA GLU A 32 4.664 -9.552 0.248 1.00 0.00 C ATOM 191 C GLU A 32 4.970 -8.504 -0.850 1.00 0.00 C ATOM 192 O GLU A 32 5.098 -8.873 -2.024 1.00 0.00 O ATOM 193 CB GLU A 32 5.937 -9.912 1.043 1.00 0.00 C ATOM 194 CG GLU A 32 7.154 -10.295 0.187 1.00 0.00 C ATOM 195 CD GLU A 32 8.328 -10.747 1.077 1.00 0.00 C ATOM 196 OE1 GLU A 32 9.078 -9.878 1.587 1.00 0.00 O ATOM 197 OE2 GLU A 32 8.517 -11.972 1.274 1.00 0.00 O ATOM 0 H GLU A 32 4.366 -10.970 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 32 3.926 -9.085 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.207 -9.063 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.707 -10.742 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.883 -11.096 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.459 -9.443 -0.421 1.00 0.00 H new ATOM 204 N PRO A 33 5.152 -7.212 -0.502 1.00 0.00 N ATOM 205 CA PRO A 33 5.704 -6.199 -1.406 1.00 0.00 C ATOM 206 C PRO A 33 7.211 -6.421 -1.654 1.00 0.00 C ATOM 207 O PRO A 33 8.070 -5.822 -1.002 1.00 0.00 O ATOM 208 CB PRO A 33 5.388 -4.849 -0.746 1.00 0.00 C ATOM 209 CG PRO A 33 5.338 -5.177 0.744 1.00 0.00 C ATOM 210 CD PRO A 33 4.775 -6.598 0.768 1.00 0.00 C ATOM 0 HA PRO A 33 5.261 -6.249 -2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.155 -4.106 -0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.440 -4.443 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.326 -5.127 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.700 -4.481 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.181 -7.162 1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.692 -6.585 0.886 1.00 0.00 H new ATOM 218 N VAL A 34 7.541 -7.300 -2.607 1.00 0.00 N ATOM 219 CA VAL A 34 8.922 -7.547 -3.074 1.00 0.00 C ATOM 220 C VAL A 34 9.468 -6.325 -3.829 1.00 0.00 C ATOM 221 O VAL A 34 10.609 -5.909 -3.616 1.00 0.00 O ATOM 222 CB VAL A 34 8.995 -8.810 -3.964 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.427 -9.109 -4.428 1.00 0.00 C ATOM 224 CG2 VAL A 34 8.492 -10.055 -3.222 1.00 0.00 C ATOM 0 H VAL A 34 6.848 -7.873 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 34 9.544 -7.718 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 34 8.361 -8.594 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.429 -10.004 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.806 -8.266 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.065 -9.270 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.559 -10.922 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.105 -10.223 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.455 -9.906 -2.922 1.00 0.00 H new ATOM 234 N LYS A 35 8.639 -5.744 -4.706 1.00 0.00 N ATOM 235 CA LYS A 35 8.889 -4.509 -5.472 1.00 0.00 C ATOM 236 C LYS A 35 8.579 -3.246 -4.641 1.00 0.00 C ATOM 237 O LYS A 35 8.046 -3.332 -3.533 1.00 0.00 O ATOM 238 CB LYS A 35 8.046 -4.555 -6.767 1.00 0.00 C ATOM 239 CG LYS A 35 8.330 -5.764 -7.683 1.00 0.00 C ATOM 240 CD LYS A 35 9.739 -5.813 -8.298 1.00 0.00 C ATOM 241 CE LYS A 35 9.954 -4.696 -9.330 1.00 0.00 C ATOM 242 NZ LYS A 35 11.278 -4.814 -9.999 1.00 0.00 N ATOM 0 H LYS A 35 7.724 -6.143 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 35 9.947 -4.452 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.990 -4.563 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.224 -3.640 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.171 -6.677 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.599 -5.764 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.483 -5.724 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.894 -6.781 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.163 -4.735 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.880 -3.726 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.388 -4.044 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.033 -4.752 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.339 -5.729 -10.489 1.00 0.00 H new ATOM 256 N GLY A 36 8.902 -2.069 -5.188 1.00 0.00 N ATOM 257 CA GLY A 36 8.714 -0.758 -4.545 1.00 0.00 C ATOM 258 C GLY A 36 9.979 -0.263 -3.831 1.00 0.00 C ATOM 259 O GLY A 36 10.004 -0.150 -2.604 1.00 0.00 O ATOM 0 H GLY A 36 9.314 -1.997 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.417 -0.028 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.898 -0.824 -3.826 1.00 0.00 H new ATOM 263 N LEU A 37 11.035 0.001 -4.613 1.00 0.00 N ATOM 264 CA LEU A 37 12.329 0.567 -4.187 1.00 0.00 C ATOM 265 C LEU A 37 12.738 1.785 -5.057 1.00 0.00 C ATOM 266 O LEU A 37 13.917 2.142 -5.148 1.00 0.00 O ATOM 267 CB LEU A 37 13.418 -0.532 -4.172 1.00 0.00 C ATOM 268 CG LEU A 37 13.200 -1.662 -3.141 1.00 0.00 C ATOM 269 CD1 LEU A 37 12.482 -2.874 -3.742 1.00 0.00 C ATOM 270 CD2 LEU A 37 14.544 -2.161 -2.604 1.00 0.00 C ATOM 0 H LEU A 37 11.011 -0.184 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 37 12.220 0.942 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.477 -0.976 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.382 -0.063 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 37 12.586 -1.231 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.354 -3.638 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.505 -2.569 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.075 -3.278 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.373 -2.957 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.146 -2.544 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.071 -1.338 -2.122 1.00 0.00 H new ATOM 282 N CYS A 38 11.770 2.399 -5.739 1.00 0.00 N ATOM 283 CA CYS A 38 11.943 3.494 -6.696 1.00 0.00 C ATOM 284 C CYS A 38 12.515 4.781 -6.057 1.00 0.00 C ATOM 285 O CYS A 38 12.579 4.934 -4.834 1.00 0.00 O ATOM 286 CB CYS A 38 10.580 3.757 -7.365 1.00 0.00 C ATOM 287 SG CYS A 38 9.990 2.255 -8.210 1.00 0.00 S ATOM 0 H CYS A 38 10.791 2.132 -5.633 1.00 0.00 H new ATOM 0 HA CYS A 38 12.684 3.195 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.853 4.070 -6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.670 4.574 -8.081 1.00 0.00 H new ATOM 0 HG CYS A 38 8.839 2.494 -8.766 1.00 0.00 H new ATOM 293 N LYS A 39 12.918 5.736 -6.906 1.00 0.00 N ATOM 294 CA LYS A 39 13.509 7.042 -6.536 1.00 0.00 C ATOM 295 C LYS A 39 12.572 8.234 -6.825 1.00 0.00 C ATOM 296 O LYS A 39 13.010 9.386 -6.828 1.00 0.00 O ATOM 297 CB LYS A 39 14.888 7.179 -7.216 1.00 0.00 C ATOM 298 CG LYS A 39 15.933 6.109 -6.830 1.00 0.00 C ATOM 299 CD LYS A 39 16.552 6.270 -5.426 1.00 0.00 C ATOM 300 CE LYS A 39 15.761 5.658 -4.258 1.00 0.00 C ATOM 301 NZ LYS A 39 15.789 4.171 -4.254 1.00 0.00 N ATOM 0 H LYS A 39 12.840 5.620 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 39 13.648 7.068 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.745 7.148 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.295 8.161 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.464 5.127 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.736 6.126 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.546 5.823 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.683 7.334 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.170 6.026 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.726 5.996 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.872 3.828 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.911 3.806 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.604 3.838 -4.808 1.00 0.00 H new ATOM 315 N ALA A 40 11.288 7.961 -7.071 1.00 0.00 N ATOM 316 CA ALA A 40 10.225 8.954 -7.266 1.00 0.00 C ATOM 317 C ALA A 40 9.960 9.824 -6.019 1.00 0.00 C ATOM 318 O ALA A 40 10.462 9.552 -4.924 1.00 0.00 O ATOM 319 CB ALA A 40 8.949 8.212 -7.696 1.00 0.00 C ATOM 0 H ALA A 40 10.945 7.003 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 40 10.549 9.650 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.144 8.931 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.136 7.676 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.661 7.503 -6.920 1.00 0.00 H new ATOM 325 N ARG A 41 9.120 10.857 -6.184 1.00 0.00 N ATOM 326 CA ARG A 41 8.788 11.879 -5.168 1.00 0.00 C ATOM 327 C ARG A 41 7.463 11.624 -4.422 1.00 0.00 C ATOM 328 O ARG A 41 7.073 12.424 -3.570 1.00 0.00 O ATOM 329 CB ARG A 41 8.804 13.278 -5.822 1.00 0.00 C ATOM 330 CG ARG A 41 10.152 13.663 -6.464 1.00 0.00 C ATOM 331 CD ARG A 41 10.237 13.352 -7.966 1.00 0.00 C ATOM 332 NE ARG A 41 11.521 13.802 -8.538 1.00 0.00 N ATOM 333 CZ ARG A 41 11.915 13.705 -9.796 1.00 0.00 C ATOM 334 NH1 ARG A 41 11.167 13.166 -10.719 1.00 0.00 N ATOM 335 NH2 ARG A 41 13.084 14.153 -10.159 1.00 0.00 N ATOM 0 H ARG A 41 8.630 11.014 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 41 9.556 11.818 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.027 13.318 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.549 14.022 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.324 14.729 -6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.953 13.135 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.123 12.280 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.414 13.840 -8.487 1.00 0.00 H new ATOM 0 HE ARG A 41 12.178 14.237 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.245 12.802 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.505 13.108 -11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.702 14.582 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.381 14.074 -11.132 1.00 0.00 H new ATOM 349 N PHE A 42 6.767 10.528 -4.735 1.00 0.00 N ATOM 350 CA PHE A 42 5.399 10.215 -4.302 1.00 0.00 C ATOM 351 C PHE A 42 5.283 8.797 -3.710 1.00 0.00 C ATOM 352 O PHE A 42 5.198 7.793 -4.419 1.00 0.00 O ATOM 353 CB PHE A 42 4.417 10.484 -5.461 1.00 0.00 C ATOM 354 CG PHE A 42 4.815 9.938 -6.825 1.00 0.00 C ATOM 355 CD1 PHE A 42 5.590 10.723 -7.704 1.00 0.00 C ATOM 356 CD2 PHE A 42 4.396 8.657 -7.231 1.00 0.00 C ATOM 357 CE1 PHE A 42 5.940 10.237 -8.973 1.00 0.00 C ATOM 358 CE2 PHE A 42 4.751 8.165 -8.504 1.00 0.00 C ATOM 359 CZ PHE A 42 5.524 8.956 -9.376 1.00 0.00 C ATOM 0 H PHE A 42 7.161 9.797 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 42 5.126 10.877 -3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.448 10.062 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.281 11.562 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.917 11.706 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.801 8.049 -6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.530 10.848 -9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.430 7.181 -8.811 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.796 8.580 -10.351 1.00 0.00 H new ATOM 369 N THR A 43 5.298 8.708 -2.380 1.00 0.00 N ATOM 370 CA THR A 43 5.122 7.462 -1.611 1.00 0.00 C ATOM 371 C THR A 43 3.661 6.995 -1.656 1.00 0.00 C ATOM 372 O THR A 43 2.807 7.546 -0.958 1.00 0.00 O ATOM 373 CB THR A 43 5.567 7.630 -0.142 1.00 0.00 C ATOM 374 OG1 THR A 43 6.768 8.375 -0.049 1.00 0.00 O ATOM 375 CG2 THR A 43 5.836 6.271 0.503 1.00 0.00 C ATOM 0 H THR A 43 5.437 9.523 -1.783 1.00 0.00 H new ATOM 0 HA THR A 43 5.755 6.707 -2.077 1.00 0.00 H new ATOM 0 HB THR A 43 4.757 8.150 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.024 8.467 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.148 6.415 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.927 5.670 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.625 5.757 -0.046 1.00 0.00 H new ATOM 383 N ARG A 44 3.345 6.007 -2.504 1.00 0.00 N ATOM 384 CA ARG A 44 1.992 5.425 -2.619 1.00 0.00 C ATOM 385 C ARG A 44 1.774 4.280 -1.622 1.00 0.00 C ATOM 386 O ARG A 44 2.676 3.462 -1.423 1.00 0.00 O ATOM 387 CB ARG A 44 1.746 4.967 -4.072 1.00 0.00 C ATOM 388 CG ARG A 44 0.252 4.808 -4.408 1.00 0.00 C ATOM 389 CD ARG A 44 -0.485 6.152 -4.514 1.00 0.00 C ATOM 390 NE ARG A 44 -0.142 6.879 -5.751 1.00 0.00 N ATOM 391 CZ ARG A 44 -0.572 8.076 -6.109 1.00 0.00 C ATOM 392 NH1 ARG A 44 -1.387 8.770 -5.367 1.00 0.00 N ATOM 393 NH2 ARG A 44 -0.185 8.604 -7.234 1.00 0.00 N ATOM 0 H ARG A 44 4.023 5.583 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 44 1.263 6.195 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.191 5.690 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.253 4.017 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.152 4.270 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.225 4.198 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.561 5.978 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.237 6.770 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 44 0.493 6.409 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.714 8.392 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.698 9.691 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.453 8.093 -7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.520 9.528 -7.505 1.00 0.00 H new ATOM 407 N TYR A 45 0.567 4.193 -1.059 1.00 0.00 N ATOM 408 CA TYR A 45 0.163 3.221 -0.032 1.00 0.00 C ATOM 409 C TYR A 45 -1.102 2.439 -0.443 1.00 0.00 C ATOM 410 O TYR A 45 -1.958 2.998 -1.131 1.00 0.00 O ATOM 411 CB TYR A 45 -0.100 3.957 1.299 1.00 0.00 C ATOM 412 CG TYR A 45 0.951 4.967 1.737 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.185 4.523 2.253 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.685 6.352 1.663 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.148 5.450 2.695 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.655 7.283 2.084 1.00 0.00 C ATOM 417 CZ TYR A 45 2.885 6.836 2.609 1.00 0.00 C ATOM 418 OH TYR A 45 3.799 7.745 3.046 1.00 0.00 O ATOM 0 H TYR A 45 -0.192 4.825 -1.316 1.00 0.00 H new ATOM 0 HA TYR A 45 0.976 2.504 0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.057 4.473 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.205 3.211 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.393 3.465 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.265 6.698 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.087 5.102 3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.456 8.342 2.004 1.00 0.00 H new ATOM 0 HH TYR A 45 3.451 8.651 2.909 1.00 0.00 H new ATOM 428 N TYR A 46 -1.261 1.189 0.022 1.00 0.00 N ATOM 429 CA TYR A 46 -2.474 0.361 -0.165 1.00 0.00 C ATOM 430 C TYR A 46 -2.736 -0.593 1.010 1.00 0.00 C ATOM 431 O TYR A 46 -1.799 -1.100 1.632 1.00 0.00 O ATOM 432 CB TYR A 46 -2.376 -0.498 -1.436 1.00 0.00 C ATOM 433 CG TYR A 46 -2.287 0.276 -2.731 1.00 0.00 C ATOM 434 CD1 TYR A 46 -3.453 0.690 -3.408 1.00 0.00 C ATOM 435 CD2 TYR A 46 -1.022 0.580 -3.256 1.00 0.00 C ATOM 436 CE1 TYR A 46 -3.343 1.396 -4.622 1.00 0.00 C ATOM 437 CE2 TYR A 46 -0.906 1.294 -4.457 1.00 0.00 C ATOM 438 CZ TYR A 46 -2.069 1.689 -5.152 1.00 0.00 C ATOM 439 OH TYR A 46 -1.962 2.322 -6.348 1.00 0.00 O ATOM 0 H TYR A 46 -0.533 0.710 0.553 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.294 1.075 -0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.499 -1.140 -1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.247 -1.152 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.427 0.467 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.133 0.262 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.233 1.712 -5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.070 1.541 -4.849 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.017 2.392 -6.598 1.00 0.00 H new ATOM 449 N CYS A 47 -4.015 -0.871 1.288 1.00 0.00 N ATOM 450 CA CYS A 47 -4.468 -1.850 2.282 1.00 0.00 C ATOM 451 C CYS A 47 -4.600 -3.259 1.680 1.00 0.00 C ATOM 452 O CYS A 47 -5.458 -3.500 0.827 1.00 0.00 O ATOM 453 CB CYS A 47 -5.793 -1.391 2.904 1.00 0.00 C ATOM 454 SG CYS A 47 -6.296 -2.450 4.288 1.00 0.00 S ATOM 0 H CYS A 47 -4.788 -0.406 0.812 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.712 -1.910 3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.693 -0.363 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.572 -1.396 2.142 1.00 0.00 H new ATOM 459 N MET A 48 -3.755 -4.193 2.128 1.00 0.00 N ATOM 460 CA MET A 48 -3.840 -5.612 1.745 1.00 0.00 C ATOM 461 C MET A 48 -5.023 -6.351 2.391 1.00 0.00 C ATOM 462 O MET A 48 -5.693 -7.130 1.713 1.00 0.00 O ATOM 463 CB MET A 48 -2.520 -6.321 2.085 1.00 0.00 C ATOM 464 CG MET A 48 -1.543 -6.227 0.911 1.00 0.00 C ATOM 465 SD MET A 48 -1.924 -7.361 -0.452 1.00 0.00 S ATOM 466 CE MET A 48 -0.505 -7.034 -1.531 1.00 0.00 C ATOM 0 H MET A 48 -2.989 -3.988 2.769 1.00 0.00 H new ATOM 0 HA MET A 48 -4.016 -5.638 0.670 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.076 -5.870 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.713 -7.367 2.322 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.543 -5.205 0.532 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.535 -6.433 1.272 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.578 -7.652 -2.426 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.500 -5.982 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.417 -7.271 -1.001 1.00 0.00 H new ATOM 476 N GLY A 49 -5.284 -6.126 3.685 1.00 0.00 N ATOM 477 CA GLY A 49 -6.330 -6.831 4.442 1.00 0.00 C ATOM 478 C GLY A 49 -6.852 -6.030 5.636 1.00 0.00 C ATOM 479 O GLY A 49 -7.869 -5.347 5.526 1.00 0.00 O ATOM 0 H GLY A 49 -4.771 -5.443 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.161 -7.060 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.934 -7.783 4.796 1.00 0.00 H new ATOM 483 N ASN A 50 -6.161 -6.108 6.779 1.00 0.00 N ATOM 484 CA ASN A 50 -6.503 -5.333 7.981 1.00 0.00 C ATOM 485 C ASN A 50 -5.860 -3.933 7.992 1.00 0.00 C ATOM 486 O ASN A 50 -6.504 -2.961 8.387 1.00 0.00 O ATOM 487 CB ASN A 50 -6.103 -6.128 9.237 1.00 0.00 C ATOM 488 CG ASN A 50 -6.934 -7.388 9.419 1.00 0.00 C ATOM 489 OD1 ASN A 50 -8.153 -7.348 9.523 1.00 0.00 O ATOM 490 ND2 ASN A 50 -6.315 -8.545 9.470 1.00 0.00 N ATOM 0 H ASN A 50 -5.347 -6.711 6.898 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.581 -5.173 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.049 -6.398 9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.215 -5.493 10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.850 -9.404 9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.299 -8.584 9.384 1.00 0.00 H new ATOM 497 N CYS A 51 -4.603 -3.840 7.550 1.00 0.00 N ATOM 498 CA CYS A 51 -3.741 -2.654 7.582 1.00 0.00 C ATOM 499 C CYS A 51 -3.083 -2.391 6.212 1.00 0.00 C ATOM 500 O CYS A 51 -3.136 -3.239 5.312 1.00 0.00 O ATOM 501 CB CYS A 51 -2.693 -2.810 8.707 1.00 0.00 C ATOM 502 SG CYS A 51 -2.198 -4.498 9.186 1.00 0.00 S ATOM 0 H CYS A 51 -4.130 -4.642 7.134 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.353 -1.778 7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.795 -2.272 8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.080 -2.310 9.595 1.00 0.00 H new ATOM 507 N CYS A 52 -2.450 -1.221 6.051 1.00 0.00 N ATOM 508 CA CYS A 52 -1.799 -0.804 4.806 1.00 0.00 C ATOM 509 C CYS A 52 -0.281 -0.583 4.906 1.00 0.00 C ATOM 510 O CYS A 52 0.265 -0.295 5.974 1.00 0.00 O ATOM 511 CB CYS A 52 -2.523 0.411 4.202 1.00 0.00 C ATOM 512 SG CYS A 52 -2.760 1.923 5.157 1.00 0.00 S ATOM 0 H CYS A 52 -2.376 -0.528 6.796 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.894 -1.650 4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.982 0.687 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.511 0.072 3.892 1.00 0.00 H new ATOM 517 N LYS A 53 0.382 -0.720 3.750 1.00 0.00 N ATOM 518 CA LYS A 53 1.833 -0.601 3.520 1.00 0.00 C ATOM 519 C LYS A 53 2.150 0.286 2.315 1.00 0.00 C ATOM 520 O LYS A 53 1.251 0.719 1.597 1.00 0.00 O ATOM 521 CB LYS A 53 2.423 -2.016 3.338 1.00 0.00 C ATOM 522 CG LYS A 53 2.604 -2.751 4.677 1.00 0.00 C ATOM 523 CD LYS A 53 1.808 -4.063 4.741 1.00 0.00 C ATOM 524 CE LYS A 53 2.509 -5.170 3.942 1.00 0.00 C ATOM 525 NZ LYS A 53 1.835 -6.480 4.133 1.00 0.00 N ATOM 0 H LYS A 53 -0.116 -0.933 2.886 1.00 0.00 H new ATOM 0 HA LYS A 53 2.289 -0.119 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.768 -2.600 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.386 -1.943 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.662 -2.964 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.289 -2.099 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.696 -4.374 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.805 -3.904 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.513 -4.911 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.550 -5.245 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.429 -7.237 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.687 -6.649 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.916 -6.472 3.646 1.00 0.00 H new ATOM 539 N VAL A 54 3.440 0.549 2.113 1.00 0.00 N ATOM 540 CA VAL A 54 4.030 1.275 0.973 1.00 0.00 C ATOM 541 C VAL A 54 4.270 0.360 -0.244 1.00 0.00 C ATOM 542 O VAL A 54 4.742 -0.770 -0.096 1.00 0.00 O ATOM 543 CB VAL A 54 5.323 1.985 1.433 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.377 1.058 2.058 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.987 2.752 0.291 1.00 0.00 C ATOM 0 H VAL A 54 4.151 0.245 2.778 1.00 0.00 H new ATOM 0 HA VAL A 54 3.318 2.028 0.635 1.00 0.00 H new ATOM 0 HB VAL A 54 4.978 2.667 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.249 1.643 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.956 0.569 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.674 0.303 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.892 3.237 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.244 2.060 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.299 3.507 -0.088 1.00 0.00 H new ATOM 555 N TYR A 55 3.952 0.858 -1.448 1.00 0.00 N ATOM 556 CA TYR A 55 4.075 0.144 -2.738 1.00 0.00 C ATOM 557 C TYR A 55 4.635 1.003 -3.893 1.00 0.00 C ATOM 558 O TYR A 55 5.177 0.453 -4.851 1.00 0.00 O ATOM 559 CB TYR A 55 2.706 -0.430 -3.145 1.00 0.00 C ATOM 560 CG TYR A 55 2.172 -1.515 -2.223 1.00 0.00 C ATOM 561 CD1 TYR A 55 1.537 -1.165 -1.015 1.00 0.00 C ATOM 562 CD2 TYR A 55 2.344 -2.873 -2.554 1.00 0.00 C ATOM 563 CE1 TYR A 55 1.134 -2.164 -0.108 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.924 -3.876 -1.658 1.00 0.00 C ATOM 565 CZ TYR A 55 1.349 -3.522 -0.420 1.00 0.00 C ATOM 566 OH TYR A 55 1.035 -4.486 0.485 1.00 0.00 O ATOM 0 H TYR A 55 3.588 1.804 -1.560 1.00 0.00 H new ATOM 0 HA TYR A 55 4.803 -0.650 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.982 0.384 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.783 -0.835 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.358 -0.125 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.798 -3.146 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.662 -1.891 0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.043 -4.917 -1.920 1.00 0.00 H new ATOM 0 HH TYR A 55 1.245 -5.367 0.110 1.00 0.00 H new ATOM 576 N GLU A 56 4.549 2.339 -3.805 1.00 0.00 N ATOM 577 CA GLU A 56 5.175 3.321 -4.726 1.00 0.00 C ATOM 578 C GLU A 56 4.745 3.260 -6.218 1.00 0.00 C ATOM 579 O GLU A 56 5.406 3.854 -7.075 1.00 0.00 O ATOM 580 CB GLU A 56 6.712 3.310 -4.572 1.00 0.00 C ATOM 581 CG GLU A 56 7.187 3.545 -3.129 1.00 0.00 C ATOM 582 CD GLU A 56 8.717 3.718 -3.050 1.00 0.00 C ATOM 583 OE1 GLU A 56 9.447 2.957 -3.728 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.189 4.610 -2.299 1.00 0.00 O ATOM 0 H GLU A 56 4.020 2.792 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 56 4.773 4.280 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.097 2.352 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.139 4.079 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.700 4.433 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.884 2.704 -2.505 1.00 0.00 H new ATOM 591 N GLY A 57 3.633 2.594 -6.555 1.00 0.00 N ATOM 592 CA GLY A 57 3.100 2.516 -7.927 1.00 0.00 C ATOM 593 C GLY A 57 1.576 2.388 -8.002 1.00 0.00 C ATOM 594 O GLY A 57 0.901 2.219 -6.987 1.00 0.00 O ATOM 0 H GLY A 57 3.068 2.086 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.406 3.407 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.550 1.661 -8.432 1.00 0.00 H new ATOM 598 N CYS A 58 1.014 2.448 -9.212 1.00 0.00 N ATOM 599 CA CYS A 58 -0.421 2.273 -9.478 1.00 0.00 C ATOM 600 C CYS A 58 -0.827 0.781 -9.458 1.00 0.00 C ATOM 601 O CYS A 58 -1.231 0.214 -10.476 1.00 0.00 O ATOM 602 CB CYS A 58 -0.779 2.957 -10.807 1.00 0.00 C ATOM 603 SG CYS A 58 -0.461 4.745 -10.702 1.00 0.00 S ATOM 0 H CYS A 58 1.556 2.624 -10.058 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.992 2.749 -8.681 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.192 2.523 -11.617 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.828 2.781 -11.044 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.767 5.307 -11.834 1.00 0.00 H new ATOM 609 N TYR A 59 -0.718 0.137 -8.289 1.00 0.00 N ATOM 610 CA TYR A 59 -1.057 -1.275 -8.058 1.00 0.00 C ATOM 611 C TYR A 59 -2.501 -1.617 -8.475 1.00 0.00 C ATOM 612 O TYR A 59 -2.749 -2.638 -9.120 1.00 0.00 O ATOM 613 CB TYR A 59 -0.823 -1.594 -6.572 1.00 0.00 C ATOM 614 CG TYR A 59 -1.059 -3.046 -6.214 1.00 0.00 C ATOM 615 CD1 TYR A 59 -0.020 -3.984 -6.365 1.00 0.00 C ATOM 616 CD2 TYR A 59 -2.326 -3.461 -5.758 1.00 0.00 C ATOM 617 CE1 TYR A 59 -0.250 -5.343 -6.073 1.00 0.00 C ATOM 618 CE2 TYR A 59 -2.562 -4.819 -5.476 1.00 0.00 C ATOM 619 CZ TYR A 59 -1.525 -5.764 -5.633 1.00 0.00 C ATOM 620 OH TYR A 59 -1.762 -7.078 -5.371 1.00 0.00 O ATOM 0 H TYR A 59 -0.379 0.601 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.413 -1.892 -8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.201 -1.327 -6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.481 -0.969 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.953 -3.662 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.116 -2.737 -5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.548 -6.062 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.537 -5.139 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.690 -7.191 -5.078 1.00 0.00 H new ATOM 630 N THR A 60 -3.448 -0.736 -8.133 1.00 0.00 N ATOM 631 CA THR A 60 -4.867 -0.801 -8.546 1.00 0.00 C ATOM 632 C THR A 60 -5.492 0.578 -8.840 1.00 0.00 C ATOM 633 O THR A 60 -6.478 0.671 -9.575 1.00 0.00 O ATOM 634 CB THR A 60 -5.682 -1.602 -7.509 1.00 0.00 C ATOM 635 OG1 THR A 60 -6.996 -1.864 -7.957 1.00 0.00 O ATOM 636 CG2 THR A 60 -5.794 -0.916 -6.144 1.00 0.00 C ATOM 0 H THR A 60 -3.248 0.071 -7.542 1.00 0.00 H new ATOM 0 HA THR A 60 -4.899 -1.327 -9.500 1.00 0.00 H new ATOM 0 HB THR A 60 -5.119 -2.528 -7.393 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.479 -2.374 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.381 -1.540 -5.470 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.797 -0.770 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.284 0.051 -6.262 1.00 0.00 H new ATOM 644 N GLY A 61 -4.891 1.668 -8.345 1.00 0.00 N ATOM 645 CA GLY A 61 -5.308 3.048 -8.622 1.00 0.00 C ATOM 646 C GLY A 61 -4.362 4.056 -7.969 1.00 0.00 C ATOM 647 O GLY A 61 -3.403 4.504 -8.601 1.00 0.00 O ATOM 0 H GLY A 61 -4.082 1.613 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.332 3.214 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.321 3.205 -8.253 1.00 0.00 H new ATOM 651 N GLY A 62 -4.606 4.369 -6.691 1.00 0.00 N ATOM 652 CA GLY A 62 -3.696 5.152 -5.851 1.00 0.00 C ATOM 653 C GLY A 62 -4.396 6.101 -4.875 1.00 0.00 C ATOM 654 O GLY A 62 -4.917 7.141 -5.286 1.00 0.00 O ATOM 0 H GLY A 62 -5.455 4.080 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.065 4.468 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.037 5.734 -6.495 1.00 0.00 H new ATOM 658 N TYR A 63 -4.364 5.780 -3.576 1.00 0.00 N ATOM 659 CA TYR A 63 -4.702 6.725 -2.500 1.00 0.00 C ATOM 660 C TYR A 63 -3.765 7.953 -2.498 1.00 0.00 C ATOM 661 O TYR A 63 -2.619 7.882 -2.951 1.00 0.00 O ATOM 662 CB TYR A 63 -4.637 6.003 -1.142 1.00 0.00 C ATOM 663 CG TYR A 63 -5.735 4.979 -0.892 1.00 0.00 C ATOM 664 CD1 TYR A 63 -7.078 5.398 -0.812 1.00 0.00 C ATOM 665 CD2 TYR A 63 -5.418 3.621 -0.689 1.00 0.00 C ATOM 666 CE1 TYR A 63 -8.094 4.470 -0.513 1.00 0.00 C ATOM 667 CE2 TYR A 63 -6.430 2.688 -0.381 1.00 0.00 C ATOM 668 CZ TYR A 63 -7.774 3.114 -0.293 1.00 0.00 C ATOM 669 OH TYR A 63 -8.761 2.225 0.003 1.00 0.00 O ATOM 0 H TYR A 63 -4.102 4.854 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.714 7.089 -2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.672 5.502 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.675 6.751 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.329 6.435 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.392 3.292 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.121 4.797 -0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.178 1.651 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.373 1.333 0.124 1.00 0.00 H new ATOM 679 N SER A 64 -4.238 9.084 -1.970 1.00 0.00 N ATOM 680 CA SER A 64 -3.481 10.338 -1.838 1.00 0.00 C ATOM 681 C SER A 64 -2.543 10.332 -0.621 1.00 0.00 C ATOM 682 O SER A 64 -1.401 10.793 -0.706 1.00 0.00 O ATOM 683 CB SER A 64 -4.473 11.507 -1.721 1.00 0.00 C ATOM 684 OG SER A 64 -3.812 12.760 -1.778 1.00 0.00 O ATOM 0 H SER A 64 -5.189 9.158 -1.610 1.00 0.00 H new ATOM 0 HA SER A 64 -2.856 10.448 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.206 11.445 -2.525 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.022 11.427 -0.783 1.00 0.00 H new ATOM 0 HG SER A 64 -4.471 13.481 -1.702 1.00 0.00 H new ATOM 690 N ARG A 65 -3.010 9.784 0.512 1.00 0.00 N ATOM 691 CA ARG A 65 -2.316 9.703 1.811 1.00 0.00 C ATOM 692 C ARG A 65 -2.629 8.388 2.526 1.00 0.00 C ATOM 693 O ARG A 65 -3.673 7.775 2.301 1.00 0.00 O ATOM 694 CB ARG A 65 -2.740 10.902 2.695 1.00 0.00 C ATOM 695 CG ARG A 65 -2.006 12.219 2.391 1.00 0.00 C ATOM 696 CD ARG A 65 -0.541 12.177 2.856 1.00 0.00 C ATOM 697 NE ARG A 65 0.147 13.462 2.628 1.00 0.00 N ATOM 698 CZ ARG A 65 1.360 13.796 3.034 1.00 0.00 C ATOM 699 NH1 ARG A 65 2.107 12.984 3.731 1.00 0.00 N ATOM 700 NH2 ARG A 65 1.857 14.965 2.746 1.00 0.00 N ATOM 0 H ARG A 65 -3.937 9.360 0.550 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.241 9.738 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.811 11.063 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.572 10.642 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.042 12.416 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.520 13.044 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.504 11.929 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.014 11.384 2.325 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.368 14.168 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.759 12.058 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.038 13.276 4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.309 15.632 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.794 15.213 3.064 1.00 0.00 H new ATOM 714 N MET A 66 -1.753 7.988 3.448 1.00 0.00 N ATOM 715 CA MET A 66 -1.883 6.749 4.230 1.00 0.00 C ATOM 716 C MET A 66 -3.110 6.749 5.167 1.00 0.00 C ATOM 717 O MET A 66 -3.665 5.695 5.475 1.00 0.00 O ATOM 718 CB MET A 66 -0.570 6.522 4.995 1.00 0.00 C ATOM 719 CG MET A 66 -0.425 5.109 5.561 1.00 0.00 C ATOM 720 SD MET A 66 1.161 4.841 6.399 1.00 0.00 S ATOM 721 CE MET A 66 1.479 3.135 5.877 1.00 0.00 C ATOM 0 H MET A 66 -0.916 8.523 3.680 1.00 0.00 H new ATOM 0 HA MET A 66 -2.060 5.919 3.545 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.268 6.725 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.508 7.240 5.813 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.237 4.920 6.263 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.528 4.387 4.751 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.424 2.795 6.301 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.672 2.491 6.226 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.533 3.091 4.789 1.00 0.00 H new ATOM 731 N GLY A 67 -3.615 7.927 5.552 1.00 0.00 N ATOM 732 CA GLY A 67 -4.878 8.067 6.289 1.00 0.00 C ATOM 733 C GLY A 67 -6.116 7.589 5.517 1.00 0.00 C ATOM 734 O GLY A 67 -7.129 7.255 6.134 1.00 0.00 O ATOM 0 H GLY A 67 -3.156 8.817 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.806 7.505 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.014 9.114 6.558 1.00 0.00 H new ATOM 738 N GLU A 68 -6.060 7.524 4.183 1.00 0.00 N ATOM 739 CA GLU A 68 -7.129 6.949 3.355 1.00 0.00 C ATOM 740 C GLU A 68 -7.083 5.414 3.344 1.00 0.00 C ATOM 741 O GLU A 68 -8.120 4.772 3.528 1.00 0.00 O ATOM 742 CB GLU A 68 -7.080 7.488 1.922 1.00 0.00 C ATOM 743 CG GLU A 68 -7.246 9.011 1.849 1.00 0.00 C ATOM 744 CD GLU A 68 -7.465 9.468 0.396 1.00 0.00 C ATOM 745 OE1 GLU A 68 -6.588 9.204 -0.460 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.513 10.095 0.104 1.00 0.00 O ATOM 0 H GLU A 68 -5.267 7.871 3.642 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.072 7.255 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.129 7.209 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.866 7.014 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.092 9.319 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.361 9.498 2.259 1.00 0.00 H new ATOM 753 N CYS A 69 -5.900 4.805 3.187 1.00 0.00 N ATOM 754 CA CYS A 69 -5.757 3.345 3.253 1.00 0.00 C ATOM 755 C CYS A 69 -6.042 2.775 4.653 1.00 0.00 C ATOM 756 O CYS A 69 -6.424 1.613 4.773 1.00 0.00 O ATOM 757 CB CYS A 69 -4.393 2.906 2.701 1.00 0.00 C ATOM 758 SG CYS A 69 -2.888 3.288 3.642 1.00 0.00 S ATOM 0 H CYS A 69 -5.027 5.302 3.013 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.526 2.916 2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.428 1.825 2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.282 3.350 1.712 1.00 0.00 H new ATOM 763 N ALA A 70 -5.929 3.600 5.700 1.00 0.00 N ATOM 764 CA ALA A 70 -6.399 3.314 7.050 1.00 0.00 C ATOM 765 C ALA A 70 -7.936 3.362 7.142 1.00 0.00 C ATOM 766 O ALA A 70 -8.550 2.340 7.437 1.00 0.00 O ATOM 767 CB ALA A 70 -5.725 4.296 8.017 1.00 0.00 C ATOM 0 H ALA A 70 -5.491 4.518 5.622 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.122 2.297 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.065 4.097 9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.643 4.173 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.987 5.317 7.740 1.00 0.00 H new ATOM 773 N ARG A 71 -8.584 4.514 6.883 1.00 0.00 N ATOM 774 CA ARG A 71 -10.043 4.694 7.092 1.00 0.00 C ATOM 775 C ARG A 71 -10.935 3.759 6.259 1.00 0.00 C ATOM 776 O ARG A 71 -12.037 3.424 6.692 1.00 0.00 O ATOM 777 CB ARG A 71 -10.446 6.171 6.914 1.00 0.00 C ATOM 778 CG ARG A 71 -10.538 6.614 5.443 1.00 0.00 C ATOM 779 CD ARG A 71 -10.708 8.129 5.277 1.00 0.00 C ATOM 780 NE ARG A 71 -9.512 8.865 5.728 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.314 10.170 5.687 1.00 0.00 C ATOM 782 NH1 ARG A 71 -10.180 10.986 5.158 1.00 0.00 N ATOM 783 NH2 ARG A 71 -8.228 10.682 6.188 1.00 0.00 N ATOM 0 H ARG A 71 -8.117 5.347 6.524 1.00 0.00 H new ATOM 0 HA ARG A 71 -10.225 4.398 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.410 6.336 7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.721 6.801 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.637 6.296 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.379 6.107 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.904 8.361 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.576 8.462 5.846 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.753 8.303 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.045 10.622 4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.993 11.989 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.527 10.075 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.077 11.690 6.155 1.00 0.00 H new ATOM 797 N ASN A 72 -10.464 3.319 5.089 1.00 0.00 N ATOM 798 CA ASN A 72 -11.142 2.327 4.242 1.00 0.00 C ATOM 799 C ASN A 72 -10.981 0.869 4.738 1.00 0.00 C ATOM 800 O ASN A 72 -11.618 -0.035 4.191 1.00 0.00 O ATOM 801 CB ASN A 72 -10.648 2.491 2.791 1.00 0.00 C ATOM 802 CG ASN A 72 -11.258 3.709 2.118 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.374 3.678 1.616 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.567 4.825 2.099 1.00 0.00 N ATOM 0 H ASN A 72 -9.583 3.648 4.694 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.213 2.521 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.562 2.579 2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.898 1.597 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.960 5.661 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.637 4.856 2.516 1.00 0.00 H new ATOM 811 N CYS A 73 -10.167 0.633 5.773 1.00 0.00 N ATOM 812 CA CYS A 73 -9.855 -0.681 6.349 1.00 0.00 C ATOM 813 C CYS A 73 -10.178 -0.780 7.861 1.00 0.00 C ATOM 814 O CYS A 73 -10.426 0.239 8.516 1.00 0.00 O ATOM 815 CB CYS A 73 -8.393 -0.997 5.997 1.00 0.00 C ATOM 816 SG CYS A 73 -8.276 -2.071 4.541 1.00 0.00 S ATOM 0 H CYS A 73 -9.684 1.390 6.256 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.502 -1.444 5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.854 -0.068 5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.910 -1.480 6.846 1.00 0.00 H new ATOM 821 N PRO A 74 -10.231 -2.000 8.437 1.00 0.00 N ATOM 822 CA PRO A 74 -10.657 -2.215 9.826 1.00 0.00 C ATOM 823 C PRO A 74 -9.566 -1.922 10.878 1.00 0.00 C ATOM 824 O PRO A 74 -9.873 -1.880 12.073 1.00 0.00 O ATOM 825 CB PRO A 74 -11.101 -3.682 9.875 1.00 0.00 C ATOM 826 CG PRO A 74 -10.178 -4.348 8.861 1.00 0.00 C ATOM 827 CD PRO A 74 -10.057 -3.286 7.767 1.00 0.00 C ATOM 0 HA PRO A 74 -11.453 -1.517 10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.982 -4.108 10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.150 -3.796 9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.209 -4.594 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.600 -5.277 8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.086 -3.342 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.814 -3.431 6.997 1.00 0.00 H new ATOM 835 N GLY A 75 -8.309 -1.715 10.459 1.00 0.00 N ATOM 836 CA GLY A 75 -7.141 -1.444 11.321 1.00 0.00 C ATOM 837 C GLY A 75 -6.187 -0.388 10.755 1.00 0.00 C ATOM 838 O GLY A 75 -4.969 -0.663 10.704 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.654 0.721 10.416 1.00 0.00 O ATOM 0 H GLY A 75 -8.064 -1.732 9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.492 -1.116 12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.591 -2.372 11.474 1.00 0.00 H new TER 843 GLY A 75