USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 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 176:sc= -0.494 (180deg=-0.564) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.021 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 49:sc= 0.0171 USER MOD Single : A 31 SER OG : rot 51:sc= 0.0181 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -148:sc= 0 (180deg=-0.448) USER MOD Single : A 72 ASN : amide:sc=-0.00318 X(o=-0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -9.096 2.484 23.115 1.00 0.00 N ATOM 2 CA GLY A 19 -8.445 1.273 23.666 1.00 0.00 C ATOM 3 C GLY A 19 -7.032 1.109 23.129 1.00 0.00 C ATOM 4 O GLY A 19 -6.761 1.437 21.973 1.00 0.00 O ATOM 0 HA2 GLY A 19 -8.417 1.336 24.754 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.036 0.393 23.413 1.00 0.00 H new ATOM 10 N ASP A 20 -6.115 0.607 23.961 1.00 0.00 N ATOM 11 CA ASP A 20 -4.696 0.386 23.631 1.00 0.00 C ATOM 12 C ASP A 20 -4.505 -0.644 22.497 1.00 0.00 C ATOM 13 O ASP A 20 -4.783 -1.836 22.666 1.00 0.00 O ATOM 14 CB ASP A 20 -3.928 -0.049 24.889 1.00 0.00 C ATOM 15 CG ASP A 20 -3.851 1.075 25.934 1.00 0.00 C ATOM 16 OD1 ASP A 20 -2.973 1.963 25.805 1.00 0.00 O ATOM 17 OD2 ASP A 20 -4.667 1.075 26.888 1.00 0.00 O ATOM 0 H ASP A 20 -6.344 0.333 24.916 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.295 1.332 23.267 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.415 -0.920 25.328 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.920 -0.355 24.610 1.00 0.00 H new ATOM 22 N LYS A 21 -4.029 -0.174 21.336 1.00 0.00 N ATOM 23 CA LYS A 21 -3.734 -0.953 20.117 1.00 0.00 C ATOM 24 C LYS A 21 -2.373 -0.564 19.516 1.00 0.00 C ATOM 25 O LYS A 21 -1.744 0.407 19.944 1.00 0.00 O ATOM 26 CB LYS A 21 -4.873 -0.747 19.094 1.00 0.00 C ATOM 27 CG LYS A 21 -6.201 -1.384 19.542 1.00 0.00 C ATOM 28 CD LYS A 21 -7.330 -1.202 18.515 1.00 0.00 C ATOM 29 CE LYS A 21 -7.774 0.265 18.414 1.00 0.00 C ATOM 30 NZ LYS A 21 -8.930 0.423 17.492 1.00 0.00 N ATOM 0 H LYS A 21 -3.826 0.818 21.211 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.674 -2.009 20.380 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.023 0.321 18.935 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.576 -1.173 18.136 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.046 -2.448 19.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.507 -0.945 20.492 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.993 -1.548 17.538 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.182 -1.822 18.796 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.044 0.633 19.404 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.941 0.875 18.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.204 1.425 17.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.664 0.094 16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.732 -0.140 17.841 1.00 0.00 H new ATOM 44 N GLU A 22 -1.924 -1.315 18.510 1.00 0.00 N ATOM 45 CA GLU A 22 -0.746 -0.990 17.689 1.00 0.00 C ATOM 46 C GLU A 22 -0.925 0.350 16.935 1.00 0.00 C ATOM 47 O GLU A 22 -2.050 0.755 16.624 1.00 0.00 O ATOM 48 CB GLU A 22 -0.502 -2.168 16.728 1.00 0.00 C ATOM 49 CG GLU A 22 0.781 -2.049 15.892 1.00 0.00 C ATOM 50 CD GLU A 22 1.087 -3.377 15.173 1.00 0.00 C ATOM 51 OE1 GLU A 22 0.437 -3.681 14.143 1.00 0.00 O ATOM 52 OE2 GLU A 22 1.976 -4.132 15.639 1.00 0.00 O ATOM 0 H GLU A 22 -2.376 -2.187 18.233 1.00 0.00 H new ATOM 0 HA GLU A 22 0.127 -0.851 18.327 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.460 -3.091 17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.354 -2.254 16.054 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.671 -1.250 15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.617 -1.777 16.536 1.00 0.00 H new ATOM 59 N GLU A 23 0.181 1.033 16.619 1.00 0.00 N ATOM 60 CA GLU A 23 0.205 2.329 15.920 1.00 0.00 C ATOM 61 C GLU A 23 1.114 2.321 14.676 1.00 0.00 C ATOM 62 O GLU A 23 2.043 1.516 14.567 1.00 0.00 O ATOM 63 CB GLU A 23 0.589 3.455 16.901 1.00 0.00 C ATOM 64 CG GLU A 23 2.022 3.354 17.447 1.00 0.00 C ATOM 65 CD GLU A 23 2.299 4.472 18.473 1.00 0.00 C ATOM 66 OE1 GLU A 23 2.587 5.623 18.062 1.00 0.00 O ATOM 67 OE2 GLU A 23 2.249 4.208 19.700 1.00 0.00 O ATOM 0 H GLU A 23 1.114 0.691 16.848 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.802 2.519 15.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.470 4.415 16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.108 3.445 17.739 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.170 2.381 17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.735 3.424 16.625 1.00 0.00 H new ATOM 74 N CYS A 24 0.845 3.245 13.748 1.00 0.00 N ATOM 75 CA CYS A 24 1.483 3.360 12.435 1.00 0.00 C ATOM 76 C CYS A 24 1.808 4.834 12.145 1.00 0.00 C ATOM 77 O CYS A 24 0.904 5.636 11.899 1.00 0.00 O ATOM 78 CB CYS A 24 0.541 2.780 11.367 1.00 0.00 C ATOM 79 SG CYS A 24 0.053 1.048 11.609 1.00 0.00 S ATOM 0 H CYS A 24 0.142 3.968 13.901 1.00 0.00 H new ATOM 0 HA CYS A 24 2.417 2.798 12.420 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.361 3.391 11.333 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.024 2.870 10.394 1.00 0.00 H new ATOM 84 N THR A 25 3.082 5.221 12.222 1.00 0.00 N ATOM 85 CA THR A 25 3.532 6.608 12.007 1.00 0.00 C ATOM 86 C THR A 25 3.555 6.991 10.524 1.00 0.00 C ATOM 87 O THR A 25 4.544 6.789 9.817 1.00 0.00 O ATOM 88 CB THR A 25 4.889 6.885 12.666 1.00 0.00 C ATOM 89 OG1 THR A 25 5.840 5.878 12.376 1.00 0.00 O ATOM 90 CG2 THR A 25 4.733 6.956 14.184 1.00 0.00 C ATOM 0 H THR A 25 3.843 4.577 12.438 1.00 0.00 H new ATOM 0 HA THR A 25 2.793 7.243 12.495 1.00 0.00 H new ATOM 0 HB THR A 25 5.242 7.834 12.263 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.843 5.699 11.413 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.703 7.153 14.641 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.041 7.758 14.442 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.344 6.008 14.554 1.00 0.00 H new ATOM 98 N VAL A 26 2.442 7.566 10.065 1.00 0.00 N ATOM 99 CA VAL A 26 2.186 8.009 8.682 1.00 0.00 C ATOM 100 C VAL A 26 1.686 9.468 8.657 1.00 0.00 C ATOM 101 O VAL A 26 0.478 9.720 8.633 1.00 0.00 O ATOM 102 CB VAL A 26 1.302 6.989 7.921 1.00 0.00 C ATOM 103 CG1 VAL A 26 -0.088 6.707 8.513 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.152 7.366 6.443 1.00 0.00 C ATOM 0 H VAL A 26 1.647 7.748 10.678 1.00 0.00 H new ATOM 0 HA VAL A 26 3.122 8.026 8.123 1.00 0.00 H new ATOM 0 HB VAL A 26 1.859 6.059 8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.607 5.978 7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.020 6.311 9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.664 7.632 8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.526 6.628 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.689 8.349 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.135 7.389 5.972 1.00 0.00 H new ATOM 114 N PRO A 27 2.594 10.465 8.719 1.00 0.00 N ATOM 115 CA PRO A 27 2.225 11.882 8.673 1.00 0.00 C ATOM 116 C PRO A 27 1.786 12.324 7.265 1.00 0.00 C ATOM 117 O PRO A 27 2.029 11.635 6.271 1.00 0.00 O ATOM 118 CB PRO A 27 3.482 12.629 9.138 1.00 0.00 C ATOM 119 CG PRO A 27 4.620 11.723 8.670 1.00 0.00 C ATOM 120 CD PRO A 27 4.039 10.323 8.865 1.00 0.00 C ATOM 0 HA PRO A 27 1.365 12.094 9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.548 13.622 8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.493 12.764 10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.884 11.910 7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.524 11.872 9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.440 9.628 8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.295 9.927 9.848 1.00 0.00 H new ATOM 128 N ILE A 28 1.200 13.522 7.162 1.00 0.00 N ATOM 129 CA ILE A 28 0.796 14.151 5.886 1.00 0.00 C ATOM 130 C ILE A 28 1.959 14.304 4.882 1.00 0.00 C ATOM 131 O ILE A 28 1.749 14.261 3.669 1.00 0.00 O ATOM 132 CB ILE A 28 0.079 15.497 6.165 1.00 0.00 C ATOM 133 CG1 ILE A 28 -0.505 16.175 4.905 1.00 0.00 C ATOM 134 CG2 ILE A 28 0.997 16.509 6.874 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.575 15.341 4.190 1.00 0.00 C ATOM 0 H ILE A 28 0.986 14.098 7.976 1.00 0.00 H new ATOM 0 HA ILE A 28 0.094 13.476 5.397 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.750 15.219 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.936 17.135 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.306 16.383 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.451 17.436 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.325 16.096 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.866 16.712 6.248 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.936 15.884 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.145 14.391 3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.406 15.155 4.870 1.00 0.00 H new ATOM 147 N GLY A 29 3.195 14.426 5.380 1.00 0.00 N ATOM 148 CA GLY A 29 4.414 14.545 4.574 1.00 0.00 C ATOM 149 C GLY A 29 5.013 13.215 4.084 1.00 0.00 C ATOM 150 O GLY A 29 6.036 13.238 3.395 1.00 0.00 O ATOM 0 H GLY A 29 3.379 14.445 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.196 15.168 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.168 15.069 5.161 1.00 0.00 H new ATOM 154 N TRP A 30 4.424 12.061 4.429 1.00 0.00 N ATOM 155 CA TRP A 30 4.867 10.745 3.951 1.00 0.00 C ATOM 156 C TRP A 30 4.675 10.589 2.428 1.00 0.00 C ATOM 157 O TRP A 30 3.778 11.190 1.829 1.00 0.00 O ATOM 158 CB TRP A 30 4.107 9.650 4.720 1.00 0.00 C ATOM 159 CG TRP A 30 4.562 8.251 4.449 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.054 7.437 3.499 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.631 7.488 5.096 1.00 0.00 C ATOM 162 NE1 TRP A 30 4.751 6.242 3.483 1.00 0.00 N ATOM 163 CE2 TRP A 30 5.734 6.219 4.448 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.529 7.746 6.155 1.00 0.00 C ATOM 165 CZ2 TRP A 30 6.689 5.263 4.822 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.486 6.786 6.541 1.00 0.00 C ATOM 167 CH2 TRP A 30 7.570 5.549 5.876 1.00 0.00 C ATOM 0 H TRP A 30 3.619 12.015 5.054 1.00 0.00 H new ATOM 0 HA TRP A 30 5.936 10.648 4.139 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.202 9.846 5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.048 9.725 4.475 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.227 7.682 2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.561 5.475 2.838 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.482 8.691 6.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 6.746 4.317 4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.162 7.002 7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.310 4.822 6.176 1.00 0.00 H new ATOM 178 N SER A 31 5.498 9.749 1.794 1.00 0.00 N ATOM 179 CA SER A 31 5.399 9.367 0.376 1.00 0.00 C ATOM 180 C SER A 31 4.256 8.366 0.125 1.00 0.00 C ATOM 181 O SER A 31 4.471 7.175 -0.112 1.00 0.00 O ATOM 182 CB SER A 31 6.758 8.850 -0.122 1.00 0.00 C ATOM 183 OG SER A 31 7.283 7.824 0.712 1.00 0.00 O ATOM 0 H SER A 31 6.281 9.298 2.268 1.00 0.00 H new ATOM 0 HA SER A 31 5.144 10.253 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.650 8.470 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.466 9.678 -0.165 1.00 0.00 H new ATOM 0 HG SER A 31 6.601 7.134 0.850 1.00 0.00 H new ATOM 189 N GLU A 32 3.014 8.848 0.201 1.00 0.00 N ATOM 190 CA GLU A 32 1.796 8.071 -0.077 1.00 0.00 C ATOM 191 C GLU A 32 1.729 7.576 -1.544 1.00 0.00 C ATOM 192 O GLU A 32 2.260 8.242 -2.445 1.00 0.00 O ATOM 193 CB GLU A 32 0.549 8.917 0.242 1.00 0.00 C ATOM 194 CG GLU A 32 0.398 9.231 1.738 1.00 0.00 C ATOM 195 CD GLU A 32 -0.917 9.990 2.007 1.00 0.00 C ATOM 196 OE1 GLU A 32 -1.019 11.211 1.714 1.00 0.00 O ATOM 197 OE2 GLU A 32 -1.878 9.348 2.490 1.00 0.00 O ATOM 0 H GLU A 32 2.818 9.814 0.464 1.00 0.00 H new ATOM 0 HA GLU A 32 1.825 7.189 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.600 9.852 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.339 8.388 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.413 8.305 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.244 9.829 2.076 1.00 0.00 H new ATOM 204 N PRO A 33 1.059 6.436 -1.817 1.00 0.00 N ATOM 205 CA PRO A 33 0.873 5.925 -3.179 1.00 0.00 C ATOM 206 C PRO A 33 -0.142 6.757 -3.989 1.00 0.00 C ATOM 207 O PRO A 33 -0.843 7.617 -3.447 1.00 0.00 O ATOM 208 CB PRO A 33 0.420 4.477 -2.979 1.00 0.00 C ATOM 209 CG PRO A 33 -0.368 4.525 -1.674 1.00 0.00 C ATOM 210 CD PRO A 33 0.430 5.537 -0.852 1.00 0.00 C ATOM 0 HA PRO A 33 1.787 5.989 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.198 4.132 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.269 3.797 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.397 4.849 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.412 3.550 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.221 6.088 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.180 5.037 -0.239 1.00 0.00 H new ATOM 218 N VAL A 34 -0.246 6.485 -5.298 1.00 0.00 N ATOM 219 CA VAL A 34 -1.123 7.209 -6.242 1.00 0.00 C ATOM 220 C VAL A 34 -2.215 6.308 -6.823 1.00 0.00 C ATOM 221 O VAL A 34 -1.945 5.231 -7.363 1.00 0.00 O ATOM 222 CB VAL A 34 -0.305 7.933 -7.328 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.361 6.992 -8.338 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.156 8.951 -8.094 1.00 0.00 C ATOM 0 H VAL A 34 0.288 5.739 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.644 7.981 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 34 0.486 8.442 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.918 7.578 -9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.043 6.321 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.403 6.406 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.544 9.441 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.989 8.439 -8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.542 9.698 -7.400 1.00 0.00 H new ATOM 234 N LYS A 35 -3.468 6.754 -6.697 1.00 0.00 N ATOM 235 CA LYS A 35 -4.647 6.097 -7.283 1.00 0.00 C ATOM 236 C LYS A 35 -4.630 6.240 -8.812 1.00 0.00 C ATOM 237 O LYS A 35 -4.298 7.306 -9.333 1.00 0.00 O ATOM 238 CB LYS A 35 -5.921 6.718 -6.682 1.00 0.00 C ATOM 239 CG LYS A 35 -7.142 5.794 -6.825 1.00 0.00 C ATOM 240 CD LYS A 35 -8.462 6.551 -6.647 1.00 0.00 C ATOM 241 CE LYS A 35 -9.624 5.572 -6.427 1.00 0.00 C ATOM 242 NZ LYS A 35 -10.907 6.291 -6.207 1.00 0.00 N ATOM 0 H LYS A 35 -3.699 7.599 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.630 5.032 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.754 6.936 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.127 7.668 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.125 5.321 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.080 4.995 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.386 7.230 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.657 7.163 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.717 4.916 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.409 4.938 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.671 5.601 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.825 6.899 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.123 6.877 -7.038 1.00 0.00 H new ATOM 256 N GLY A 36 -5.045 5.201 -9.535 1.00 0.00 N ATOM 257 CA GLY A 36 -5.138 5.221 -11.005 1.00 0.00 C ATOM 258 C GLY A 36 -6.388 5.908 -11.588 1.00 0.00 C ATOM 259 O GLY A 36 -6.474 6.061 -12.805 1.00 0.00 O ATOM 0 H GLY A 36 -5.329 4.313 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.254 5.722 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.110 4.193 -11.366 1.00 0.00 H new ATOM 263 N LEU A 37 -7.359 6.313 -10.748 1.00 0.00 N ATOM 264 CA LEU A 37 -8.669 6.902 -11.122 1.00 0.00 C ATOM 265 C LEU A 37 -9.519 6.005 -12.065 1.00 0.00 C ATOM 266 O LEU A 37 -10.433 6.479 -12.744 1.00 0.00 O ATOM 267 CB LEU A 37 -8.481 8.353 -11.649 1.00 0.00 C ATOM 268 CG LEU A 37 -8.278 9.484 -10.620 1.00 0.00 C ATOM 269 CD1 LEU A 37 -9.495 9.673 -9.711 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.035 9.317 -9.751 1.00 0.00 C ATOM 0 H LEU A 37 -7.250 6.236 -9.737 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.268 6.956 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.621 8.355 -12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.354 8.604 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.139 10.374 -11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.300 10.481 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.366 9.922 -10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.686 8.751 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.963 10.152 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.104 8.383 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.148 9.296 -10.385 1.00 0.00 H new ATOM 282 N CYS A 38 -9.227 4.702 -12.112 1.00 0.00 N ATOM 283 CA CYS A 38 -9.853 3.738 -13.028 1.00 0.00 C ATOM 284 C CYS A 38 -11.273 3.313 -12.592 1.00 0.00 C ATOM 285 O CYS A 38 -11.717 3.573 -11.471 1.00 0.00 O ATOM 286 CB CYS A 38 -8.966 2.487 -13.145 1.00 0.00 C ATOM 287 SG CYS A 38 -7.192 2.778 -13.380 1.00 0.00 S ATOM 0 H CYS A 38 -8.532 4.275 -11.500 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.950 4.240 -13.991 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.098 1.889 -12.243 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.328 1.888 -13.981 1.00 0.00 H new ATOM 292 N LYS A 39 -11.955 2.567 -13.472 1.00 0.00 N ATOM 293 CA LYS A 39 -13.275 1.938 -13.262 1.00 0.00 C ATOM 294 C LYS A 39 -13.247 0.563 -12.555 1.00 0.00 C ATOM 295 O LYS A 39 -14.295 -0.074 -12.425 1.00 0.00 O ATOM 296 CB LYS A 39 -14.011 1.903 -14.619 1.00 0.00 C ATOM 297 CG LYS A 39 -13.406 0.927 -15.649 1.00 0.00 C ATOM 298 CD LYS A 39 -13.710 1.334 -17.100 1.00 0.00 C ATOM 299 CE LYS A 39 -15.214 1.398 -17.401 1.00 0.00 C ATOM 300 NZ LYS A 39 -15.470 1.825 -18.805 1.00 0.00 N ATOM 0 H LYS A 39 -11.584 2.373 -14.402 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.825 2.552 -12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.052 1.630 -14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.011 2.907 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.326 0.879 -15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.796 -0.075 -15.467 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.263 2.308 -17.300 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.239 0.622 -17.778 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.663 0.420 -17.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.695 2.094 -16.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.495 1.858 -18.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.062 2.769 -18.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.031 1.146 -19.460 1.00 0.00 H new ATOM 314 N ALA A 40 -12.076 0.104 -12.097 1.00 0.00 N ATOM 315 CA ALA A 40 -11.845 -1.193 -11.441 1.00 0.00 C ATOM 316 C ALA A 40 -11.128 -1.067 -10.075 1.00 0.00 C ATOM 317 O ALA A 40 -10.539 -0.028 -9.758 1.00 0.00 O ATOM 318 CB ALA A 40 -11.056 -2.080 -12.418 1.00 0.00 C ATOM 0 H ALA A 40 -11.220 0.653 -12.177 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.808 -1.646 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.869 -3.051 -11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.633 -2.217 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.106 -1.603 -12.657 1.00 0.00 H new ATOM 324 N ARG A 41 -11.152 -2.146 -9.273 1.00 0.00 N ATOM 325 CA ARG A 41 -10.626 -2.233 -7.893 1.00 0.00 C ATOM 326 C ARG A 41 -9.687 -3.434 -7.694 1.00 0.00 C ATOM 327 O ARG A 41 -10.144 -4.550 -7.419 1.00 0.00 O ATOM 328 CB ARG A 41 -11.782 -2.281 -6.877 1.00 0.00 C ATOM 329 CG ARG A 41 -12.646 -1.010 -6.863 1.00 0.00 C ATOM 330 CD ARG A 41 -13.674 -1.046 -5.721 1.00 0.00 C ATOM 331 NE ARG A 41 -13.038 -0.957 -4.387 1.00 0.00 N ATOM 332 CZ ARG A 41 -12.778 0.131 -3.686 1.00 0.00 C ATOM 333 NH1 ARG A 41 -13.050 1.328 -4.125 1.00 0.00 N ATOM 334 NH2 ARG A 41 -12.228 0.033 -2.513 1.00 0.00 N ATOM 0 H ARG A 41 -11.559 -3.028 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.035 -1.334 -7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.416 -3.138 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.371 -2.441 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.007 -0.134 -6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.163 -0.908 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.376 -0.221 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.252 -1.968 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.768 -1.842 -3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.480 1.449 -5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.833 2.143 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.997 -0.885 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.027 0.874 -1.972 1.00 0.00 H new ATOM 348 N PHE A 42 -8.380 -3.186 -7.828 1.00 0.00 N ATOM 349 CA PHE A 42 -7.319 -4.117 -7.393 1.00 0.00 C ATOM 350 C PHE A 42 -7.020 -3.962 -5.885 1.00 0.00 C ATOM 351 O PHE A 42 -7.577 -3.079 -5.230 1.00 0.00 O ATOM 352 CB PHE A 42 -6.049 -3.879 -8.231 1.00 0.00 C ATOM 353 CG PHE A 42 -6.258 -3.737 -9.733 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.212 -4.525 -10.413 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.500 -2.792 -10.449 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.435 -4.333 -11.788 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.720 -2.606 -11.825 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.694 -3.368 -12.493 1.00 0.00 C ATOM 0 H PHE A 42 -8.020 -2.327 -8.244 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.665 -5.138 -7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.560 -2.976 -7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.362 -4.707 -8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.772 -5.277 -9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.747 -2.208 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.176 -4.927 -12.303 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.140 -1.876 -12.370 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.873 -3.213 -13.547 1.00 0.00 H new ATOM 368 N THR A 43 -6.114 -4.785 -5.342 1.00 0.00 N ATOM 369 CA THR A 43 -5.700 -4.774 -3.923 1.00 0.00 C ATOM 370 C THR A 43 -4.175 -4.858 -3.789 1.00 0.00 C ATOM 371 O THR A 43 -3.579 -5.869 -4.172 1.00 0.00 O ATOM 372 CB THR A 43 -6.347 -5.937 -3.145 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.739 -6.004 -3.379 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.183 -5.770 -1.635 1.00 0.00 C ATOM 0 H THR A 43 -5.632 -5.499 -5.888 1.00 0.00 H new ATOM 0 HA THR A 43 -6.041 -3.830 -3.498 1.00 0.00 H new ATOM 0 HB THR A 43 -5.842 -6.837 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.120 -6.752 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.652 -6.610 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.122 -5.740 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.657 -4.841 -1.318 1.00 0.00 H new ATOM 382 N ARG A 44 -3.532 -3.803 -3.272 1.00 0.00 N ATOM 383 CA ARG A 44 -2.081 -3.724 -2.984 1.00 0.00 C ATOM 384 C ARG A 44 -1.821 -3.560 -1.486 1.00 0.00 C ATOM 385 O ARG A 44 -2.729 -3.201 -0.741 1.00 0.00 O ATOM 386 CB ARG A 44 -1.449 -2.538 -3.736 1.00 0.00 C ATOM 387 CG ARG A 44 -1.521 -2.600 -5.265 1.00 0.00 C ATOM 388 CD ARG A 44 -0.812 -3.798 -5.901 1.00 0.00 C ATOM 389 NE ARG A 44 -1.738 -4.925 -6.107 1.00 0.00 N ATOM 390 CZ ARG A 44 -2.394 -5.252 -7.205 1.00 0.00 C ATOM 391 NH1 ARG A 44 -2.399 -4.502 -8.270 1.00 0.00 N ATOM 392 NH2 ARG A 44 -3.088 -6.353 -7.235 1.00 0.00 N ATOM 0 H ARG A 44 -4.023 -2.942 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.629 -4.657 -3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.938 -1.621 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.402 -2.464 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.569 -2.618 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.090 -1.685 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.380 -3.501 -6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.013 -4.115 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.892 -5.529 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.882 -3.623 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.920 -4.794 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.122 -6.957 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.597 -6.612 -8.080 1.00 0.00 H new ATOM 406 N TYR A 45 -0.574 -3.759 -1.057 1.00 0.00 N ATOM 407 CA TYR A 45 -0.130 -3.666 0.338 1.00 0.00 C ATOM 408 C TYR A 45 1.167 -2.851 0.436 1.00 0.00 C ATOM 409 O TYR A 45 2.254 -3.351 0.153 1.00 0.00 O ATOM 410 CB TYR A 45 0.026 -5.073 0.931 1.00 0.00 C ATOM 411 CG TYR A 45 -1.257 -5.884 0.934 1.00 0.00 C ATOM 412 CD1 TYR A 45 -2.182 -5.730 1.985 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.535 -6.769 -0.125 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.367 -6.491 1.990 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.721 -7.526 -0.126 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.640 -7.391 0.938 1.00 0.00 C ATOM 417 OH TYR A 45 -4.789 -8.121 0.955 1.00 0.00 O ATOM 0 H TYR A 45 0.185 -3.999 -1.695 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.884 -3.140 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.785 -5.613 0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.393 -4.987 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.983 -5.031 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.834 -6.867 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.070 -6.385 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.928 -8.208 -0.938 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.826 -8.691 0.159 1.00 0.00 H new ATOM 427 N TYR A 46 1.057 -1.572 0.798 1.00 0.00 N ATOM 428 CA TYR A 46 2.204 -0.656 0.901 1.00 0.00 C ATOM 429 C TYR A 46 2.693 -0.557 2.355 1.00 0.00 C ATOM 430 O TYR A 46 1.887 -0.467 3.282 1.00 0.00 O ATOM 431 CB TYR A 46 1.808 0.732 0.384 1.00 0.00 C ATOM 432 CG TYR A 46 1.609 0.836 -1.120 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.355 0.552 -1.695 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.665 1.287 -1.937 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.142 0.758 -3.072 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.458 1.489 -3.315 1.00 0.00 C ATOM 437 CZ TYR A 46 1.190 1.239 -3.886 1.00 0.00 C ATOM 438 OH TYR A 46 0.960 1.508 -5.201 1.00 0.00 O ATOM 0 H TYR A 46 0.165 -1.135 1.031 1.00 0.00 H new ATOM 0 HA TYR A 46 3.018 -1.049 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.884 1.035 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.577 1.445 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.447 0.175 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.636 1.478 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.825 0.548 -3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.270 1.836 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 46 1.786 1.832 -5.618 1.00 0.00 H new ATOM 448 N CYS A 47 4.011 -0.575 2.581 1.00 0.00 N ATOM 449 CA CYS A 47 4.588 -0.282 3.895 1.00 0.00 C ATOM 450 C CYS A 47 4.604 1.238 4.163 1.00 0.00 C ATOM 451 O CYS A 47 5.389 1.985 3.575 1.00 0.00 O ATOM 452 CB CYS A 47 5.985 -0.895 4.027 1.00 0.00 C ATOM 453 SG CYS A 47 6.664 -0.696 5.696 1.00 0.00 S ATOM 0 H CYS A 47 4.702 -0.792 1.863 1.00 0.00 H new ATOM 0 HA CYS A 47 3.957 -0.741 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.940 -1.955 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.655 -0.427 3.306 1.00 0.00 H new ATOM 458 N MET A 48 3.719 1.696 5.051 1.00 0.00 N ATOM 459 CA MET A 48 3.495 3.115 5.396 1.00 0.00 C ATOM 460 C MET A 48 4.320 3.592 6.615 1.00 0.00 C ATOM 461 O MET A 48 4.005 4.609 7.231 1.00 0.00 O ATOM 462 CB MET A 48 1.985 3.334 5.615 1.00 0.00 C ATOM 463 CG MET A 48 1.150 2.976 4.377 1.00 0.00 C ATOM 464 SD MET A 48 1.619 3.787 2.818 1.00 0.00 S ATOM 465 CE MET A 48 1.270 5.508 3.259 1.00 0.00 C ATOM 0 H MET A 48 3.110 1.068 5.575 1.00 0.00 H new ATOM 0 HA MET A 48 3.847 3.725 4.564 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.653 2.730 6.460 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.808 4.376 5.879 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.204 1.897 4.230 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.108 3.218 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.568 6.161 2.439 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.203 5.626 3.448 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.829 5.774 4.156 1.00 0.00 H new ATOM 475 N GLY A 49 5.363 2.847 6.998 1.00 0.00 N ATOM 476 CA GLY A 49 6.201 3.097 8.176 1.00 0.00 C ATOM 477 C GLY A 49 5.909 2.092 9.290 1.00 0.00 C ATOM 478 O GLY A 49 5.017 2.319 10.108 1.00 0.00 O ATOM 0 H GLY A 49 5.658 2.022 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.253 3.037 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.026 4.109 8.541 1.00 0.00 H new ATOM 482 N ASN A 50 6.631 0.961 9.293 1.00 0.00 N ATOM 483 CA ASN A 50 6.473 -0.177 10.224 1.00 0.00 C ATOM 484 C ASN A 50 5.067 -0.843 10.208 1.00 0.00 C ATOM 485 O ASN A 50 4.736 -1.629 11.099 1.00 0.00 O ATOM 486 CB ASN A 50 6.964 0.271 11.620 1.00 0.00 C ATOM 487 CG ASN A 50 7.114 -0.871 12.620 1.00 0.00 C ATOM 488 OD1 ASN A 50 7.769 -1.873 12.365 1.00 0.00 O ATOM 489 ND2 ASN A 50 6.557 -0.732 13.807 1.00 0.00 N ATOM 0 H ASN A 50 7.377 0.803 8.616 1.00 0.00 H new ATOM 0 HA ASN A 50 7.099 -1.001 9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.925 0.774 11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.264 1.003 12.022 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.672 -1.459 14.513 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.011 0.103 14.020 1.00 0.00 H new ATOM 496 N CYS A 51 4.247 -0.542 9.191 1.00 0.00 N ATOM 497 CA CYS A 51 2.915 -1.108 8.965 1.00 0.00 C ATOM 498 C CYS A 51 2.639 -1.323 7.469 1.00 0.00 C ATOM 499 O CYS A 51 2.541 -0.356 6.709 1.00 0.00 O ATOM 500 CB CYS A 51 1.840 -0.171 9.532 1.00 0.00 C ATOM 501 SG CYS A 51 1.777 0.002 11.332 1.00 0.00 S ATOM 0 H CYS A 51 4.509 0.133 8.473 1.00 0.00 H new ATOM 0 HA CYS A 51 2.882 -2.073 9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.990 0.819 9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.867 -0.524 9.190 1.00 0.00 H new ATOM 506 N CYS A 52 2.454 -2.575 7.050 1.00 0.00 N ATOM 507 CA CYS A 52 1.732 -2.910 5.822 1.00 0.00 C ATOM 508 C CYS A 52 0.268 -2.424 5.904 1.00 0.00 C ATOM 509 O CYS A 52 -0.509 -2.927 6.725 1.00 0.00 O ATOM 510 CB CYS A 52 1.757 -4.428 5.617 1.00 0.00 C ATOM 511 SG CYS A 52 3.339 -5.185 5.169 1.00 0.00 S ATOM 0 H CYS A 52 2.803 -3.390 7.555 1.00 0.00 H new ATOM 0 HA CYS A 52 2.217 -2.414 4.981 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.408 -4.897 6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.034 -4.674 4.839 1.00 0.00 H new ATOM 516 N LYS A 53 -0.117 -1.467 5.050 1.00 0.00 N ATOM 517 CA LYS A 53 -1.494 -0.964 4.887 1.00 0.00 C ATOM 518 C LYS A 53 -2.031 -1.334 3.502 1.00 0.00 C ATOM 519 O LYS A 53 -1.342 -1.152 2.497 1.00 0.00 O ATOM 520 CB LYS A 53 -1.507 0.556 5.134 1.00 0.00 C ATOM 521 CG LYS A 53 -2.929 1.146 5.117 1.00 0.00 C ATOM 522 CD LYS A 53 -2.964 2.649 5.444 1.00 0.00 C ATOM 523 CE LYS A 53 -2.598 2.998 6.898 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.622 2.527 7.871 1.00 0.00 N ATOM 0 H LYS A 53 0.545 -1.002 4.428 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.156 -1.430 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.041 0.768 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.904 1.049 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.371 0.984 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.547 0.609 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.277 3.169 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.963 3.030 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.635 2.551 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.482 4.078 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.330 2.786 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.537 2.972 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.716 1.493 7.803 1.00 0.00 H new ATOM 538 N VAL A 54 -3.249 -1.876 3.447 1.00 0.00 N ATOM 539 CA VAL A 54 -3.927 -2.214 2.183 1.00 0.00 C ATOM 540 C VAL A 54 -4.403 -0.955 1.442 1.00 0.00 C ATOM 541 O VAL A 54 -4.851 0.010 2.066 1.00 0.00 O ATOM 542 CB VAL A 54 -5.070 -3.221 2.423 1.00 0.00 C ATOM 543 CG1 VAL A 54 -6.313 -2.618 3.083 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.512 -3.899 1.126 1.00 0.00 C ATOM 0 H VAL A 54 -3.799 -2.096 4.277 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.201 -2.700 1.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.637 -3.946 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.067 -3.394 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.044 -2.204 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.714 -1.827 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.319 -4.601 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.864 -3.144 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.669 -4.436 0.691 1.00 0.00 H new ATOM 554 N TYR A 55 -4.337 -0.977 0.111 1.00 0.00 N ATOM 555 CA TYR A 55 -4.821 0.073 -0.791 1.00 0.00 C ATOM 556 C TYR A 55 -5.632 -0.530 -1.947 1.00 0.00 C ATOM 557 O TYR A 55 -5.255 -1.556 -2.520 1.00 0.00 O ATOM 558 CB TYR A 55 -3.638 0.905 -1.311 1.00 0.00 C ATOM 559 CG TYR A 55 -3.165 1.970 -0.337 1.00 0.00 C ATOM 560 CD1 TYR A 55 -2.219 1.661 0.661 1.00 0.00 C ATOM 561 CD2 TYR A 55 -3.699 3.271 -0.413 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.810 2.648 1.579 1.00 0.00 C ATOM 563 CE2 TYR A 55 -3.298 4.260 0.504 1.00 0.00 C ATOM 564 CZ TYR A 55 -2.354 3.948 1.508 1.00 0.00 C ATOM 565 OH TYR A 55 -1.981 4.891 2.414 1.00 0.00 O ATOM 0 H TYR A 55 -3.926 -1.763 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.487 0.734 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.807 0.237 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.926 1.383 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.807 0.665 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.421 3.511 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.079 2.410 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.711 5.256 0.441 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.448 5.731 2.223 1.00 0.00 H new ATOM 575 N GLU A 56 -6.750 0.116 -2.288 1.00 0.00 N ATOM 576 CA GLU A 56 -7.718 -0.329 -3.301 1.00 0.00 C ATOM 577 C GLU A 56 -8.139 0.843 -4.206 1.00 0.00 C ATOM 578 O GLU A 56 -8.685 1.840 -3.723 1.00 0.00 O ATOM 579 CB GLU A 56 -8.965 -0.939 -2.640 1.00 0.00 C ATOM 580 CG GLU A 56 -8.718 -2.113 -1.678 1.00 0.00 C ATOM 581 CD GLU A 56 -10.037 -2.728 -1.150 1.00 0.00 C ATOM 582 OE1 GLU A 56 -11.141 -2.375 -1.643 1.00 0.00 O ATOM 583 OE2 GLU A 56 -9.980 -3.560 -0.215 1.00 0.00 O ATOM 0 H GLU A 56 -7.019 0.998 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.231 -1.092 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.483 -0.151 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.639 -1.277 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.140 -2.883 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.117 -1.769 -0.836 1.00 0.00 H new ATOM 590 N GLY A 57 -7.856 0.755 -5.511 1.00 0.00 N ATOM 591 CA GLY A 57 -8.063 1.860 -6.466 1.00 0.00 C ATOM 592 C GLY A 57 -7.061 1.888 -7.624 1.00 0.00 C ATOM 593 O GLY A 57 -6.349 2.873 -7.823 1.00 0.00 O ATOM 0 H GLY A 57 -7.475 -0.088 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.071 1.787 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.005 2.806 -5.927 1.00 0.00 H new ATOM 597 N CYS A 58 -7.016 0.806 -8.409 1.00 0.00 N ATOM 598 CA CYS A 58 -6.180 0.670 -9.614 1.00 0.00 C ATOM 599 C CYS A 58 -4.658 0.829 -9.369 1.00 0.00 C ATOM 600 O CYS A 58 -3.901 1.212 -10.262 1.00 0.00 O ATOM 601 CB CYS A 58 -6.733 1.623 -10.677 1.00 0.00 C ATOM 602 SG CYS A 58 -6.370 1.200 -12.402 1.00 0.00 S ATOM 0 H CYS A 58 -7.576 -0.026 -8.221 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.247 -0.358 -9.969 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.815 1.677 -10.558 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.341 2.621 -10.480 1.00 0.00 H new ATOM 607 N TYR A 59 -4.201 0.555 -8.142 1.00 0.00 N ATOM 608 CA TYR A 59 -2.798 0.640 -7.730 1.00 0.00 C ATOM 609 C TYR A 59 -1.958 -0.461 -8.404 1.00 0.00 C ATOM 610 O TYR A 59 -2.142 -1.653 -8.142 1.00 0.00 O ATOM 611 CB TYR A 59 -2.697 0.569 -6.198 1.00 0.00 C ATOM 612 CG TYR A 59 -3.286 1.761 -5.464 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.491 2.895 -5.217 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.621 1.733 -5.022 1.00 0.00 C ATOM 615 CE1 TYR A 59 -3.033 4.001 -4.531 1.00 0.00 C ATOM 616 CE2 TYR A 59 -5.177 2.851 -4.365 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.380 3.988 -4.117 1.00 0.00 C ATOM 618 OH TYR A 59 -4.901 5.072 -3.479 1.00 0.00 O ATOM 0 H TYR A 59 -4.818 0.259 -7.386 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.392 1.598 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.201 -0.335 -5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.647 0.473 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.465 2.918 -5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.223 0.852 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.414 4.861 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.211 2.836 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.841 4.903 -3.261 1.00 0.00 H new ATOM 628 N THR A 60 -1.039 -0.071 -9.289 1.00 0.00 N ATOM 629 CA THR A 60 -0.128 -0.979 -10.021 1.00 0.00 C ATOM 630 C THR A 60 1.302 -1.000 -9.462 1.00 0.00 C ATOM 631 O THR A 60 2.108 -1.844 -9.860 1.00 0.00 O ATOM 632 CB THR A 60 -0.096 -0.639 -11.522 1.00 0.00 C ATOM 633 OG1 THR A 60 0.199 0.730 -11.731 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.441 -0.932 -12.191 1.00 0.00 C ATOM 0 H THR A 60 -0.897 0.910 -9.529 1.00 0.00 H new ATOM 0 HA THR A 60 -0.538 -1.979 -9.879 1.00 0.00 H new ATOM 0 HB THR A 60 0.682 -1.263 -11.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.215 0.918 -12.693 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.383 -0.681 -13.250 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.679 -1.990 -12.082 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.220 -0.334 -11.718 1.00 0.00 H new ATOM 642 N GLY A 61 1.619 -0.105 -8.520 1.00 0.00 N ATOM 643 CA GLY A 61 2.881 -0.065 -7.772 1.00 0.00 C ATOM 644 C GLY A 61 2.823 -0.851 -6.455 1.00 0.00 C ATOM 645 O GLY A 61 1.832 -1.522 -6.147 1.00 0.00 O ATOM 0 H GLY A 61 0.979 0.641 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.679 -0.469 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.138 0.973 -7.558 1.00 0.00 H new ATOM 649 N GLY A 62 3.899 -0.755 -5.667 1.00 0.00 N ATOM 650 CA GLY A 62 4.021 -1.401 -4.355 1.00 0.00 C ATOM 651 C GLY A 62 4.050 -2.934 -4.408 1.00 0.00 C ATOM 652 O GLY A 62 4.153 -3.551 -5.474 1.00 0.00 O ATOM 0 H GLY A 62 4.725 -0.216 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.932 -1.048 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.186 -1.086 -3.729 1.00 0.00 H new ATOM 656 N TYR A 63 3.983 -3.556 -3.231 1.00 0.00 N ATOM 657 CA TYR A 63 3.858 -5.007 -3.083 1.00 0.00 C ATOM 658 C TYR A 63 2.406 -5.457 -3.327 1.00 0.00 C ATOM 659 O TYR A 63 1.451 -4.817 -2.876 1.00 0.00 O ATOM 660 CB TYR A 63 4.336 -5.414 -1.686 1.00 0.00 C ATOM 661 CG TYR A 63 5.747 -4.958 -1.351 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.853 -5.670 -1.851 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.952 -3.814 -0.552 1.00 0.00 C ATOM 664 CE1 TYR A 63 8.162 -5.264 -1.529 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.258 -3.399 -0.231 1.00 0.00 C ATOM 666 CZ TYR A 63 8.367 -4.127 -0.714 1.00 0.00 C ATOM 667 OH TYR A 63 9.635 -3.734 -0.408 1.00 0.00 O ATOM 0 H TYR A 63 4.014 -3.060 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 63 4.481 -5.502 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.649 -5.004 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.287 -6.499 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.697 -6.531 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.104 -3.255 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.008 -5.820 -1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.412 -2.525 0.384 1.00 0.00 H new ATOM 0 HH TYR A 63 9.602 -2.936 0.159 1.00 0.00 H new ATOM 677 N SER A 64 2.226 -6.576 -4.029 1.00 0.00 N ATOM 678 CA SER A 64 0.901 -7.139 -4.347 1.00 0.00 C ATOM 679 C SER A 64 0.311 -8.028 -3.243 1.00 0.00 C ATOM 680 O SER A 64 -0.877 -8.356 -3.292 1.00 0.00 O ATOM 681 CB SER A 64 0.965 -7.919 -5.666 1.00 0.00 C ATOM 682 OG SER A 64 1.887 -8.992 -5.563 1.00 0.00 O ATOM 0 H SER A 64 3.000 -7.127 -4.400 1.00 0.00 H new ATOM 0 HA SER A 64 0.229 -6.286 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.024 -8.304 -5.916 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.262 -7.253 -6.476 1.00 0.00 H new ATOM 0 HG SER A 64 1.916 -9.481 -6.412 1.00 0.00 H new ATOM 688 N ARG A 65 1.108 -8.394 -2.226 1.00 0.00 N ATOM 689 CA ARG A 65 0.745 -9.293 -1.112 1.00 0.00 C ATOM 690 C ARG A 65 1.205 -8.746 0.240 1.00 0.00 C ATOM 691 O ARG A 65 2.260 -8.123 0.339 1.00 0.00 O ATOM 692 CB ARG A 65 1.374 -10.679 -1.372 1.00 0.00 C ATOM 693 CG ARG A 65 0.634 -11.484 -2.456 1.00 0.00 C ATOM 694 CD ARG A 65 -0.541 -12.296 -1.893 1.00 0.00 C ATOM 695 NE ARG A 65 -0.076 -13.482 -1.141 1.00 0.00 N ATOM 696 CZ ARG A 65 -0.823 -14.412 -0.571 1.00 0.00 C ATOM 697 NH1 ARG A 65 -2.124 -14.363 -0.585 1.00 0.00 N ATOM 698 NH2 ARG A 65 -0.267 -15.425 0.030 1.00 0.00 N ATOM 0 H ARG A 65 2.068 -8.057 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.341 -9.371 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.414 -10.549 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.378 -11.250 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.265 -10.801 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.336 -12.160 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.141 -11.663 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.188 -12.614 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 65 0.934 -13.595 -1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.600 -13.588 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.667 -15.099 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.749 -15.504 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.848 -16.140 0.468 1.00 0.00 H new ATOM 712 N MET A 66 0.467 -9.088 1.296 1.00 0.00 N ATOM 713 CA MET A 66 0.811 -8.794 2.695 1.00 0.00 C ATOM 714 C MET A 66 2.161 -9.421 3.090 1.00 0.00 C ATOM 715 O MET A 66 2.984 -8.781 3.742 1.00 0.00 O ATOM 716 CB MET A 66 -0.330 -9.299 3.598 1.00 0.00 C ATOM 717 CG MET A 66 -0.170 -8.883 5.066 1.00 0.00 C ATOM 718 SD MET A 66 -0.409 -7.115 5.397 1.00 0.00 S ATOM 719 CE MET A 66 -2.222 -7.033 5.408 1.00 0.00 C ATOM 0 H MET A 66 -0.414 -9.593 1.203 1.00 0.00 H new ATOM 0 HA MET A 66 0.924 -7.717 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.279 -8.918 3.221 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.377 -10.386 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.882 -9.449 5.667 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.827 -9.168 5.401 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.545 -6.061 5.036 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.626 -7.818 4.769 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.586 -7.171 6.426 1.00 0.00 H new ATOM 729 N GLY A 67 2.427 -10.654 2.644 1.00 0.00 N ATOM 730 CA GLY A 67 3.715 -11.324 2.864 1.00 0.00 C ATOM 731 C GLY A 67 4.895 -10.620 2.180 1.00 0.00 C ATOM 732 O GLY A 67 5.988 -10.559 2.739 1.00 0.00 O ATOM 0 H GLY A 67 1.756 -11.216 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.908 -11.381 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.650 -12.348 2.497 1.00 0.00 H new ATOM 736 N GLU A 68 4.681 -10.060 0.984 1.00 0.00 N ATOM 737 CA GLU A 68 5.720 -9.375 0.204 1.00 0.00 C ATOM 738 C GLU A 68 6.162 -8.034 0.815 1.00 0.00 C ATOM 739 O GLU A 68 7.357 -7.744 0.819 1.00 0.00 O ATOM 740 CB GLU A 68 5.280 -9.200 -1.256 1.00 0.00 C ATOM 741 CG GLU A 68 5.435 -10.507 -2.046 1.00 0.00 C ATOM 742 CD GLU A 68 5.044 -10.369 -3.532 1.00 0.00 C ATOM 743 OE1 GLU A 68 5.288 -9.301 -4.144 1.00 0.00 O ATOM 744 OE2 GLU A 68 4.533 -11.361 -4.109 1.00 0.00 O ATOM 0 H GLU A 68 3.771 -10.069 0.524 1.00 0.00 H new ATOM 0 HA GLU A 68 6.598 -10.020 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.240 -8.874 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.874 -8.416 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.469 -10.844 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.818 -11.278 -1.585 1.00 0.00 H new ATOM 751 N CYS A 69 5.252 -7.237 1.390 1.00 0.00 N ATOM 752 CA CYS A 69 5.663 -6.068 2.181 1.00 0.00 C ATOM 753 C CYS A 69 6.306 -6.482 3.524 1.00 0.00 C ATOM 754 O CYS A 69 7.340 -5.930 3.911 1.00 0.00 O ATOM 755 CB CYS A 69 4.491 -5.086 2.340 1.00 0.00 C ATOM 756 SG CYS A 69 3.038 -5.701 3.222 1.00 0.00 S ATOM 0 H CYS A 69 4.244 -7.375 1.325 1.00 0.00 H new ATOM 0 HA CYS A 69 6.445 -5.538 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.856 -4.200 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.177 -4.766 1.347 1.00 0.00 H new ATOM 761 N ALA A 70 5.748 -7.483 4.217 1.00 0.00 N ATOM 762 CA ALA A 70 6.194 -7.915 5.544 1.00 0.00 C ATOM 763 C ALA A 70 7.591 -8.577 5.571 1.00 0.00 C ATOM 764 O ALA A 70 8.292 -8.467 6.580 1.00 0.00 O ATOM 765 CB ALA A 70 5.136 -8.863 6.128 1.00 0.00 C ATOM 0 H ALA A 70 4.959 -8.024 3.863 1.00 0.00 H new ATOM 0 HA ALA A 70 6.301 -7.017 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.451 -9.195 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.183 -8.340 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.022 -9.728 5.474 1.00 0.00 H new ATOM 771 N ARG A 71 8.031 -9.247 4.490 1.00 0.00 N ATOM 772 CA ARG A 71 9.399 -9.811 4.387 1.00 0.00 C ATOM 773 C ARG A 71 10.508 -8.753 4.266 1.00 0.00 C ATOM 774 O ARG A 71 11.660 -9.047 4.589 1.00 0.00 O ATOM 775 CB ARG A 71 9.493 -10.849 3.249 1.00 0.00 C ATOM 776 CG ARG A 71 9.300 -10.252 1.847 1.00 0.00 C ATOM 777 CD ARG A 71 9.455 -11.278 0.718 1.00 0.00 C ATOM 778 NE ARG A 71 10.870 -11.650 0.500 1.00 0.00 N ATOM 779 CZ ARG A 71 11.421 -12.087 -0.620 1.00 0.00 C ATOM 780 NH1 ARG A 71 10.727 -12.293 -1.704 1.00 0.00 N ATOM 781 NH2 ARG A 71 12.700 -12.327 -0.674 1.00 0.00 N ATOM 0 H ARG A 71 7.455 -9.415 3.665 1.00 0.00 H new ATOM 0 HA ARG A 71 9.577 -10.315 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.466 -11.337 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.741 -11.621 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.309 -9.803 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.023 -9.450 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.878 -12.171 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.041 -10.869 -0.204 1.00 0.00 H new ATOM 0 HE ARG A 71 11.491 -11.559 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.722 -12.116 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.189 -12.631 -2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.282 -12.178 0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.120 -12.664 -1.541 1.00 0.00 H new ATOM 795 N ASN A 72 10.177 -7.539 3.812 1.00 0.00 N ATOM 796 CA ASN A 72 11.118 -6.432 3.607 1.00 0.00 C ATOM 797 C ASN A 72 11.057 -5.380 4.728 1.00 0.00 C ATOM 798 O ASN A 72 12.100 -5.021 5.281 1.00 0.00 O ATOM 799 CB ASN A 72 10.874 -5.814 2.216 1.00 0.00 C ATOM 800 CG ASN A 72 11.361 -6.705 1.084 1.00 0.00 C ATOM 801 OD1 ASN A 72 10.608 -7.192 0.255 1.00 0.00 O ATOM 802 ND2 ASN A 72 12.649 -6.960 1.008 1.00 0.00 N ATOM 0 H ASN A 72 9.217 -7.292 3.570 1.00 0.00 H new ATOM 0 HA ASN A 72 12.132 -6.831 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.808 -5.623 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.380 -4.850 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.007 -7.558 0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.289 -6.560 1.694 1.00 0.00 H new ATOM 809 N CYS A 73 9.867 -4.879 5.074 1.00 0.00 N ATOM 810 CA CYS A 73 9.690 -3.938 6.188 1.00 0.00 C ATOM 811 C CYS A 73 9.829 -4.619 7.575 1.00 0.00 C ATOM 812 O CYS A 73 9.672 -5.839 7.683 1.00 0.00 O ATOM 813 CB CYS A 73 8.339 -3.216 6.032 1.00 0.00 C ATOM 814 SG CYS A 73 8.533 -1.475 5.555 1.00 0.00 S ATOM 0 H CYS A 73 8.999 -5.113 4.591 1.00 0.00 H new ATOM 0 HA CYS A 73 10.494 -3.203 6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.740 -3.731 5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.789 -3.273 6.972 1.00 0.00 H new ATOM 819 N PRO A 74 10.094 -3.853 8.657 1.00 0.00 N ATOM 820 CA PRO A 74 10.255 -4.397 10.014 1.00 0.00 C ATOM 821 C PRO A 74 8.932 -4.808 10.698 1.00 0.00 C ATOM 822 O PRO A 74 8.967 -5.471 11.741 1.00 0.00 O ATOM 823 CB PRO A 74 10.979 -3.293 10.794 1.00 0.00 C ATOM 824 CG PRO A 74 10.517 -2.006 10.111 1.00 0.00 C ATOM 825 CD PRO A 74 10.364 -2.419 8.649 1.00 0.00 C ATOM 0 HA PRO A 74 10.815 -5.332 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.709 -3.305 11.850 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.062 -3.409 10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.577 -1.645 10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.246 -1.204 10.228 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.550 -1.872 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.270 -2.197 8.085 1.00 0.00 H new ATOM 833 N GLY A 75 7.777 -4.460 10.109 1.00 0.00 N ATOM 834 CA GLY A 75 6.415 -4.774 10.578 1.00 0.00 C ATOM 835 C GLY A 75 5.388 -4.802 9.433 1.00 0.00 C ATOM 836 O GLY A 75 5.445 -3.889 8.576 1.00 0.00 O ATOM 837 OXT GLY A 75 4.564 -5.747 9.410 1.00 0.00 O ATOM 0 H GLY A 75 7.766 -3.921 9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.421 -5.742 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.109 -4.034 11.317 1.00 0.00 H new TER 841 GLY A 75