USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=17 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 173:sc= 0 (180deg=-0.0281) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.156) USER MOD Set 1.3: A 55 TYR OH : rot 165:sc=-0.00614 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+ -168:sc= 0.28 (180deg=0.238) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 152:sc=-0.000844 (180deg=-0.841) 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 16:sc= 0.666 USER MOD Single : A 50 ASN : amide:sc= 0.1 K(o=0.1,f=-3.9!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 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 -132:sc= -0.0451 (180deg=-0.663) USER MOD Single : A 72 ASN : amide:sc= 0.415 X(o=0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 5.553 -3.499 26.084 1.00 0.00 N ATOM 2 CA GLY A 19 6.005 -3.292 24.692 1.00 0.00 C ATOM 3 C GLY A 19 5.457 -4.371 23.774 1.00 0.00 C ATOM 4 O GLY A 19 5.985 -5.483 23.744 1.00 0.00 O ATOM 0 HA2 GLY A 19 5.679 -2.312 24.342 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.094 -3.297 24.655 1.00 0.00 H new ATOM 10 N ASP A 20 4.390 -4.071 23.028 1.00 0.00 N ATOM 11 CA ASP A 20 3.783 -4.984 22.045 1.00 0.00 C ATOM 12 C ASP A 20 4.718 -5.240 20.844 1.00 0.00 C ATOM 13 O ASP A 20 5.290 -4.298 20.283 1.00 0.00 O ATOM 14 CB ASP A 20 2.450 -4.401 21.551 1.00 0.00 C ATOM 15 CG ASP A 20 1.405 -4.308 22.674 1.00 0.00 C ATOM 16 OD1 ASP A 20 0.761 -5.338 22.989 1.00 0.00 O ATOM 17 OD2 ASP A 20 1.226 -3.207 23.248 1.00 0.00 O ATOM 0 H ASP A 20 3.913 -3.172 23.089 1.00 0.00 H new ATOM 0 HA ASP A 20 3.611 -5.940 22.540 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.622 -3.409 21.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.060 -5.023 20.745 1.00 0.00 H new ATOM 22 N LYS A 21 4.856 -6.511 20.434 1.00 0.00 N ATOM 23 CA LYS A 21 5.760 -6.963 19.354 1.00 0.00 C ATOM 24 C LYS A 21 5.064 -7.525 18.104 1.00 0.00 C ATOM 25 O LYS A 21 5.732 -7.804 17.109 1.00 0.00 O ATOM 26 CB LYS A 21 6.785 -7.947 19.946 1.00 0.00 C ATOM 27 CG LYS A 21 6.183 -9.314 20.317 1.00 0.00 C ATOM 28 CD LYS A 21 7.178 -10.121 21.158 1.00 0.00 C ATOM 29 CE LYS A 21 6.640 -11.532 21.424 1.00 0.00 C ATOM 30 NZ LYS A 21 7.581 -12.324 22.259 1.00 0.00 N ATOM 0 H LYS A 21 4.329 -7.277 20.854 1.00 0.00 H new ATOM 0 HA LYS A 21 6.265 -6.076 18.972 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.590 -8.097 19.226 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.231 -7.502 20.835 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.257 -9.172 20.874 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.930 -9.866 19.412 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.135 -10.183 20.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.360 -9.611 22.104 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.674 -11.466 21.925 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.473 -12.044 20.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.187 -13.273 22.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.495 -12.407 21.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.720 -11.847 23.173 1.00 0.00 H new ATOM 44 N GLU A 22 3.741 -7.691 18.136 1.00 0.00 N ATOM 45 CA GLU A 22 2.934 -8.110 16.977 1.00 0.00 C ATOM 46 C GLU A 22 2.806 -6.993 15.919 1.00 0.00 C ATOM 47 O GLU A 22 2.927 -5.802 16.221 1.00 0.00 O ATOM 48 CB GLU A 22 1.530 -8.543 17.441 1.00 0.00 C ATOM 49 CG GLU A 22 1.556 -9.821 18.297 1.00 0.00 C ATOM 50 CD GLU A 22 0.157 -10.295 18.754 1.00 0.00 C ATOM 51 OE1 GLU A 22 -0.884 -9.819 18.237 1.00 0.00 O ATOM 52 OE2 GLU A 22 0.088 -11.177 19.646 1.00 0.00 O ATOM 0 H GLU A 22 3.187 -7.537 18.978 1.00 0.00 H new ATOM 0 HA GLU A 22 3.450 -8.950 16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.076 -7.735 18.015 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.898 -8.708 16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.031 -10.619 17.727 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.175 -9.645 19.177 1.00 0.00 H new ATOM 59 N GLU A 23 2.509 -7.376 14.676 1.00 0.00 N ATOM 60 CA GLU A 23 2.214 -6.486 13.543 1.00 0.00 C ATOM 61 C GLU A 23 1.154 -7.088 12.594 1.00 0.00 C ATOM 62 O GLU A 23 0.684 -8.213 12.796 1.00 0.00 O ATOM 63 CB GLU A 23 3.514 -6.111 12.796 1.00 0.00 C ATOM 64 CG GLU A 23 4.189 -7.236 11.990 1.00 0.00 C ATOM 65 CD GLU A 23 4.938 -8.254 12.874 1.00 0.00 C ATOM 66 OE1 GLU A 23 6.113 -7.995 13.235 1.00 0.00 O ATOM 67 OE2 GLU A 23 4.379 -9.336 13.179 1.00 0.00 O ATOM 0 H GLU A 23 2.465 -8.361 14.416 1.00 0.00 H new ATOM 0 HA GLU A 23 1.780 -5.569 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.292 -5.289 12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.231 -5.736 13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.432 -7.760 11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.890 -6.795 11.281 1.00 0.00 H new ATOM 74 N CYS A 24 0.785 -6.347 11.545 1.00 0.00 N ATOM 75 CA CYS A 24 -0.117 -6.775 10.473 1.00 0.00 C ATOM 76 C CYS A 24 0.605 -6.829 9.112 1.00 0.00 C ATOM 77 O CYS A 24 1.344 -5.913 8.741 1.00 0.00 O ATOM 78 CB CYS A 24 -1.343 -5.852 10.445 1.00 0.00 C ATOM 79 SG CYS A 24 -1.006 -4.068 10.479 1.00 0.00 S ATOM 0 H CYS A 24 1.121 -5.393 11.415 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.455 -7.792 10.674 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.919 -6.075 9.547 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.976 -6.097 11.298 1.00 0.00 H new ATOM 84 N THR A 25 0.365 -7.911 8.365 1.00 0.00 N ATOM 85 CA THR A 25 1.009 -8.253 7.079 1.00 0.00 C ATOM 86 C THR A 25 -0.034 -8.837 6.112 1.00 0.00 C ATOM 87 O THR A 25 -1.081 -9.320 6.549 1.00 0.00 O ATOM 88 CB THR A 25 2.164 -9.254 7.324 1.00 0.00 C ATOM 89 OG1 THR A 25 3.067 -8.724 8.277 1.00 0.00 O ATOM 90 CG2 THR A 25 3.013 -9.568 6.088 1.00 0.00 C ATOM 0 H THR A 25 -0.318 -8.613 8.650 1.00 0.00 H new ATOM 0 HA THR A 25 1.425 -7.353 6.627 1.00 0.00 H new ATOM 0 HB THR A 25 1.665 -10.167 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.795 -9.363 8.429 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.796 -10.277 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.381 -10.001 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.467 -8.650 5.715 1.00 0.00 H new ATOM 98 N VAL A 26 0.235 -8.809 4.799 1.00 0.00 N ATOM 99 CA VAL A 26 -0.625 -9.392 3.748 1.00 0.00 C ATOM 100 C VAL A 26 -0.997 -10.866 4.043 1.00 0.00 C ATOM 101 O VAL A 26 -0.099 -11.707 4.158 1.00 0.00 O ATOM 102 CB VAL A 26 -0.011 -9.207 2.342 1.00 0.00 C ATOM 103 CG1 VAL A 26 1.441 -9.681 2.187 1.00 0.00 C ATOM 104 CG2 VAL A 26 -0.855 -9.862 1.251 1.00 0.00 C ATOM 0 H VAL A 26 1.076 -8.370 4.425 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.563 -8.837 3.758 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.006 -8.124 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.774 -9.506 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.080 -9.128 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.502 -10.746 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.382 -9.705 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.936 -10.931 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.851 -9.418 1.246 1.00 0.00 H new ATOM 114 N PRO A 27 -2.296 -11.200 4.206 1.00 0.00 N ATOM 115 CA PRO A 27 -2.755 -12.571 4.444 1.00 0.00 C ATOM 116 C PRO A 27 -2.781 -13.410 3.151 1.00 0.00 C ATOM 117 O PRO A 27 -2.540 -12.908 2.049 1.00 0.00 O ATOM 118 CB PRO A 27 -4.154 -12.404 5.049 1.00 0.00 C ATOM 119 CG PRO A 27 -4.682 -11.173 4.320 1.00 0.00 C ATOM 120 CD PRO A 27 -3.437 -10.293 4.191 1.00 0.00 C ATOM 0 HA PRO A 27 -2.083 -13.117 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.779 -13.279 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.115 -12.251 6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.099 -11.428 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.471 -10.676 4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.463 -9.715 3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.378 -9.579 5.013 1.00 0.00 H new ATOM 128 N ILE A 28 -3.095 -14.703 3.282 1.00 0.00 N ATOM 129 CA ILE A 28 -3.182 -15.663 2.167 1.00 0.00 C ATOM 130 C ILE A 28 -4.208 -15.208 1.113 1.00 0.00 C ATOM 131 O ILE A 28 -5.328 -14.806 1.443 1.00 0.00 O ATOM 132 CB ILE A 28 -3.514 -17.083 2.689 1.00 0.00 C ATOM 133 CG1 ILE A 28 -2.610 -17.552 3.856 1.00 0.00 C ATOM 134 CG2 ILE A 28 -3.472 -18.121 1.551 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.101 -17.556 3.567 1.00 0.00 C ATOM 0 H ILE A 28 -3.302 -15.125 4.187 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.207 -15.699 1.682 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.527 -17.010 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.795 -16.909 4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.910 -18.560 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.709 -19.107 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.202 -17.853 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.475 -18.138 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.562 -17.901 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.892 -18.224 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.776 -16.547 3.315 1.00 0.00 H new ATOM 147 N GLY A 29 -3.813 -15.283 -0.160 1.00 0.00 N ATOM 148 CA GLY A 29 -4.585 -14.864 -1.336 1.00 0.00 C ATOM 149 C GLY A 29 -3.776 -13.924 -2.233 1.00 0.00 C ATOM 150 O GLY A 29 -3.506 -14.244 -3.393 1.00 0.00 O ATOM 0 H GLY A 29 -2.898 -15.657 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.887 -15.743 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.498 -14.364 -1.014 1.00 0.00 H new ATOM 154 N TRP A 30 -3.371 -12.773 -1.688 1.00 0.00 N ATOM 155 CA TRP A 30 -2.510 -11.788 -2.353 1.00 0.00 C ATOM 156 C TRP A 30 -1.006 -12.096 -2.205 1.00 0.00 C ATOM 157 O TRP A 30 -0.600 -13.022 -1.497 1.00 0.00 O ATOM 158 CB TRP A 30 -2.841 -10.387 -1.827 1.00 0.00 C ATOM 159 CG TRP A 30 -4.282 -10.003 -1.928 1.00 0.00 C ATOM 160 CD1 TRP A 30 -4.976 -9.814 -3.071 1.00 0.00 C ATOM 161 CD2 TRP A 30 -5.224 -9.780 -0.845 1.00 0.00 C ATOM 162 NE1 TRP A 30 -6.281 -9.462 -2.765 1.00 0.00 N ATOM 163 CE2 TRP A 30 -6.486 -9.422 -1.401 1.00 0.00 C ATOM 164 CE3 TRP A 30 -5.122 -9.859 0.554 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -7.599 -9.134 -0.596 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -6.229 -9.564 1.375 1.00 0.00 C ATOM 167 CH2 TRP A 30 -7.464 -9.203 0.803 1.00 0.00 C ATOM 0 H TRP A 30 -3.640 -12.492 -0.745 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.717 -11.840 -3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.536 -10.325 -0.783 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.246 -9.658 -2.377 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.576 -9.921 -4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.999 -9.258 -3.460 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.185 -10.149 1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.544 -8.864 -1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -6.129 -9.615 2.449 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -8.308 -8.979 1.438 1.00 0.00 H new ATOM 178 N SER A 31 -0.185 -11.278 -2.868 1.00 0.00 N ATOM 179 CA SER A 31 1.284 -11.344 -2.908 1.00 0.00 C ATOM 180 C SER A 31 1.877 -9.932 -2.925 1.00 0.00 C ATOM 181 O SER A 31 1.550 -9.126 -3.798 1.00 0.00 O ATOM 182 CB SER A 31 1.768 -12.097 -4.158 1.00 0.00 C ATOM 183 OG SER A 31 1.357 -13.456 -4.139 1.00 0.00 O ATOM 0 H SER A 31 -0.546 -10.504 -3.426 1.00 0.00 H new ATOM 0 HA SER A 31 1.616 -11.877 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.377 -11.610 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.855 -12.045 -4.217 1.00 0.00 H new ATOM 0 HG SER A 31 1.679 -13.906 -4.948 1.00 0.00 H new ATOM 189 N GLU A 32 2.731 -9.608 -1.953 1.00 0.00 N ATOM 190 CA GLU A 32 3.442 -8.321 -1.896 1.00 0.00 C ATOM 191 C GLU A 32 4.520 -8.165 -3.004 1.00 0.00 C ATOM 192 O GLU A 32 5.072 -9.164 -3.478 1.00 0.00 O ATOM 193 CB GLU A 32 4.011 -8.084 -0.479 1.00 0.00 C ATOM 194 CG GLU A 32 4.697 -9.264 0.234 1.00 0.00 C ATOM 195 CD GLU A 32 6.025 -9.710 -0.410 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.977 -8.895 -0.463 1.00 0.00 O ATOM 197 OE2 GLU A 32 6.142 -10.896 -0.803 1.00 0.00 O ATOM 0 H GLU A 32 2.953 -10.232 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 32 2.712 -7.538 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.731 -7.268 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.194 -7.741 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.885 -8.987 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.012 -10.112 0.250 1.00 0.00 H new ATOM 204 N PRO A 33 4.843 -6.924 -3.429 1.00 0.00 N ATOM 205 CA PRO A 33 5.892 -6.632 -4.408 1.00 0.00 C ATOM 206 C PRO A 33 7.294 -6.895 -3.833 1.00 0.00 C ATOM 207 O PRO A 33 7.697 -6.293 -2.835 1.00 0.00 O ATOM 208 CB PRO A 33 5.699 -5.158 -4.791 1.00 0.00 C ATOM 209 CG PRO A 33 5.036 -4.547 -3.569 1.00 0.00 C ATOM 210 CD PRO A 33 4.183 -5.691 -3.030 1.00 0.00 C ATOM 0 HA PRO A 33 5.816 -7.281 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.651 -4.675 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.074 -5.054 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.771 -4.212 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.429 -3.680 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.096 -5.632 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.172 -5.644 -3.434 1.00 0.00 H new ATOM 218 N VAL A 34 8.060 -7.777 -4.488 1.00 0.00 N ATOM 219 CA VAL A 34 9.464 -8.079 -4.135 1.00 0.00 C ATOM 220 C VAL A 34 10.418 -6.911 -4.452 1.00 0.00 C ATOM 221 O VAL A 34 11.447 -6.741 -3.794 1.00 0.00 O ATOM 222 CB VAL A 34 9.902 -9.396 -4.814 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.006 -9.297 -6.343 1.00 0.00 C ATOM 224 CG2 VAL A 34 11.227 -9.930 -4.260 1.00 0.00 C ATOM 0 H VAL A 34 7.723 -8.311 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 34 9.521 -8.213 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 34 9.102 -10.096 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.318 -10.259 -6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.035 -9.026 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.739 -8.536 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.488 -10.856 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.013 -9.192 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.124 -10.122 -3.192 1.00 0.00 H new ATOM 234 N LYS A 35 10.058 -6.080 -5.441 1.00 0.00 N ATOM 235 CA LYS A 35 10.754 -4.849 -5.854 1.00 0.00 C ATOM 236 C LYS A 35 10.623 -3.703 -4.834 1.00 0.00 C ATOM 237 O LYS A 35 9.777 -3.735 -3.939 1.00 0.00 O ATOM 238 CB LYS A 35 10.240 -4.436 -7.252 1.00 0.00 C ATOM 239 CG LYS A 35 8.769 -3.970 -7.268 1.00 0.00 C ATOM 240 CD LYS A 35 8.248 -3.648 -8.680 1.00 0.00 C ATOM 241 CE LYS A 35 8.861 -2.397 -9.332 1.00 0.00 C ATOM 242 NZ LYS A 35 8.441 -1.134 -8.665 1.00 0.00 N ATOM 0 H LYS A 35 9.228 -6.257 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 35 11.822 -5.060 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.869 -3.633 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.350 -5.280 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.144 -4.746 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.669 -3.084 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.439 -4.506 -9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.167 -3.520 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.948 -2.474 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.572 -2.361 -10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.711 -0.322 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.409 -1.138 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.909 -1.058 -7.739 1.00 0.00 H new ATOM 256 N GLY A 36 11.414 -2.647 -5.027 1.00 0.00 N ATOM 257 CA GLY A 36 11.317 -1.371 -4.307 1.00 0.00 C ATOM 258 C GLY A 36 12.046 -0.241 -5.044 1.00 0.00 C ATOM 259 O GLY A 36 13.042 -0.485 -5.730 1.00 0.00 O ATOM 0 H GLY A 36 12.168 -2.654 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.268 -1.104 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.739 -1.485 -3.309 1.00 0.00 H new ATOM 263 N LEU A 37 11.550 0.994 -4.909 1.00 0.00 N ATOM 264 CA LEU A 37 12.084 2.187 -5.582 1.00 0.00 C ATOM 265 C LEU A 37 11.837 3.460 -4.752 1.00 0.00 C ATOM 266 O LEU A 37 10.942 4.257 -5.030 1.00 0.00 O ATOM 267 CB LEU A 37 11.485 2.272 -7.001 1.00 0.00 C ATOM 268 CG LEU A 37 12.099 3.367 -7.898 1.00 0.00 C ATOM 269 CD1 LEU A 37 13.547 3.055 -8.283 1.00 0.00 C ATOM 270 CD2 LEU A 37 11.286 3.495 -9.187 1.00 0.00 C ATOM 0 H LEU A 37 10.747 1.198 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 37 13.167 2.103 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.611 1.307 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.413 2.449 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 37 12.080 4.294 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.936 3.854 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.154 2.977 -7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.583 2.112 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.723 4.269 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.297 2.544 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.258 3.763 -8.944 1.00 0.00 H new ATOM 282 N CYS A 38 12.676 3.673 -3.739 1.00 0.00 N ATOM 283 CA CYS A 38 12.648 4.858 -2.863 1.00 0.00 C ATOM 284 C CYS A 38 13.061 6.178 -3.560 1.00 0.00 C ATOM 285 O CYS A 38 13.009 7.248 -2.950 1.00 0.00 O ATOM 286 CB CYS A 38 13.532 4.586 -1.635 1.00 0.00 C ATOM 287 SG CYS A 38 12.920 3.136 -0.721 1.00 0.00 S ATOM 0 H CYS A 38 13.415 3.014 -3.493 1.00 0.00 H new ATOM 0 HA CYS A 38 11.610 5.013 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.562 4.417 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.538 5.459 -0.983 1.00 0.00 H new ATOM 0 HG CYS A 38 13.681 2.921 0.311 1.00 0.00 H new ATOM 293 N LYS A 39 13.473 6.110 -4.834 1.00 0.00 N ATOM 294 CA LYS A 39 13.920 7.232 -5.682 1.00 0.00 C ATOM 295 C LYS A 39 12.803 8.217 -6.069 1.00 0.00 C ATOM 296 O LYS A 39 13.109 9.354 -6.434 1.00 0.00 O ATOM 297 CB LYS A 39 14.579 6.676 -6.963 1.00 0.00 C ATOM 298 CG LYS A 39 15.785 5.743 -6.733 1.00 0.00 C ATOM 299 CD LYS A 39 17.013 6.365 -6.041 1.00 0.00 C ATOM 300 CE LYS A 39 17.921 7.195 -6.965 1.00 0.00 C ATOM 301 NZ LYS A 39 17.390 8.554 -7.257 1.00 0.00 N ATOM 0 H LYS A 39 13.506 5.220 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 39 14.632 7.800 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.825 6.134 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.902 7.515 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.451 4.894 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.101 5.349 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.670 7.001 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.605 5.566 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.905 7.289 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.058 6.658 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.181 9.201 -7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.766 8.512 -8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.852 8.900 -6.437 1.00 0.00 H new ATOM 315 N ALA A 40 11.532 7.806 -6.011 1.00 0.00 N ATOM 316 CA ALA A 40 10.386 8.667 -6.317 1.00 0.00 C ATOM 317 C ALA A 40 10.206 9.813 -5.295 1.00 0.00 C ATOM 318 O ALA A 40 10.647 9.732 -4.145 1.00 0.00 O ATOM 319 CB ALA A 40 9.123 7.797 -6.406 1.00 0.00 C ATOM 0 H ALA A 40 11.268 6.857 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 40 10.571 9.154 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.263 8.427 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.248 7.054 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.961 7.292 -5.454 1.00 0.00 H new ATOM 325 N ARG A 41 9.506 10.876 -5.715 1.00 0.00 N ATOM 326 CA ARG A 41 9.176 12.077 -4.911 1.00 0.00 C ATOM 327 C ARG A 41 7.809 11.979 -4.208 1.00 0.00 C ATOM 328 O ARG A 41 7.341 12.942 -3.600 1.00 0.00 O ATOM 329 CB ARG A 41 9.286 13.327 -5.807 1.00 0.00 C ATOM 330 CG ARG A 41 10.728 13.539 -6.306 1.00 0.00 C ATOM 331 CD ARG A 41 10.860 14.732 -7.260 1.00 0.00 C ATOM 332 NE ARG A 41 10.656 16.027 -6.580 1.00 0.00 N ATOM 333 CZ ARG A 41 10.757 17.227 -7.123 1.00 0.00 C ATOM 334 NH1 ARG A 41 11.044 17.393 -8.384 1.00 0.00 N ATOM 335 NH2 ARG A 41 10.571 18.297 -6.404 1.00 0.00 N ATOM 0 H ARG A 41 9.135 10.932 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 41 9.899 12.154 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.616 13.224 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.960 14.205 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.385 13.691 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.068 12.636 -6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.849 14.718 -7.719 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.133 14.630 -8.066 1.00 0.00 H new ATOM 0 HE ARG A 41 10.412 15.991 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.198 16.582 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.114 18.334 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.345 18.213 -5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.651 19.219 -6.832 1.00 0.00 H new ATOM 349 N PHE A 42 7.175 10.811 -4.291 1.00 0.00 N ATOM 350 CA PHE A 42 5.911 10.403 -3.705 1.00 0.00 C ATOM 351 C PHE A 42 6.022 8.923 -3.301 1.00 0.00 C ATOM 352 O PHE A 42 6.940 8.209 -3.712 1.00 0.00 O ATOM 353 CB PHE A 42 4.784 10.622 -4.734 1.00 0.00 C ATOM 354 CG PHE A 42 4.939 9.838 -6.031 1.00 0.00 C ATOM 355 CD1 PHE A 42 5.721 10.356 -7.084 1.00 0.00 C ATOM 356 CD2 PHE A 42 4.314 8.585 -6.186 1.00 0.00 C ATOM 357 CE1 PHE A 42 5.872 9.633 -8.280 1.00 0.00 C ATOM 358 CE2 PHE A 42 4.467 7.859 -7.381 1.00 0.00 C ATOM 359 CZ PHE A 42 5.244 8.384 -8.429 1.00 0.00 C ATOM 0 H PHE A 42 7.584 10.048 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 42 5.679 10.994 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.834 10.351 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.731 11.684 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.207 11.314 -6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.715 8.180 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.470 10.037 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.988 6.898 -7.494 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.358 7.828 -9.348 1.00 0.00 H new ATOM 369 N THR A 43 5.056 8.465 -2.516 1.00 0.00 N ATOM 370 CA THR A 43 4.892 7.079 -2.044 1.00 0.00 C ATOM 371 C THR A 43 3.404 6.715 -2.023 1.00 0.00 C ATOM 372 O THR A 43 2.553 7.598 -1.872 1.00 0.00 O ATOM 373 CB THR A 43 5.496 6.914 -0.635 1.00 0.00 C ATOM 374 OG1 THR A 43 6.800 7.460 -0.558 1.00 0.00 O ATOM 375 CG2 THR A 43 5.615 5.448 -0.233 1.00 0.00 C ATOM 0 H THR A 43 4.320 9.078 -2.167 1.00 0.00 H new ATOM 0 HA THR A 43 5.417 6.410 -2.725 1.00 0.00 H new ATOM 0 HB THR A 43 4.814 7.440 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.152 7.340 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.045 5.378 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.626 4.989 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.259 4.927 -0.942 1.00 0.00 H new ATOM 383 N ARG A 44 3.071 5.427 -2.171 1.00 0.00 N ATOM 384 CA ARG A 44 1.695 4.924 -2.272 1.00 0.00 C ATOM 385 C ARG A 44 1.428 3.791 -1.270 1.00 0.00 C ATOM 386 O ARG A 44 2.316 2.991 -0.964 1.00 0.00 O ATOM 387 CB ARG A 44 1.478 4.493 -3.733 1.00 0.00 C ATOM 388 CG ARG A 44 0.030 4.642 -4.205 1.00 0.00 C ATOM 389 CD ARG A 44 -0.387 6.084 -4.537 1.00 0.00 C ATOM 390 NE ARG A 44 0.209 6.562 -5.801 1.00 0.00 N ATOM 391 CZ ARG A 44 -0.223 6.327 -7.029 1.00 0.00 C ATOM 392 NH1 ARG A 44 -1.266 5.586 -7.279 1.00 0.00 N ATOM 393 NH2 ARG A 44 0.400 6.841 -8.051 1.00 0.00 N ATOM 0 H ARG A 44 3.770 4.686 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 44 0.978 5.702 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.125 5.087 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.783 3.453 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.116 4.022 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.633 4.255 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.473 6.139 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.086 6.744 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 44 1.047 7.137 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.785 5.160 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.563 5.432 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.223 7.426 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.065 6.658 -8.997 1.00 0.00 H new ATOM 407 N TYR A 45 0.196 3.729 -0.763 1.00 0.00 N ATOM 408 CA TYR A 45 -0.218 2.854 0.340 1.00 0.00 C ATOM 409 C TYR A 45 -1.595 2.236 0.043 1.00 0.00 C ATOM 410 O TYR A 45 -2.552 2.960 -0.238 1.00 0.00 O ATOM 411 CB TYR A 45 -0.243 3.657 1.655 1.00 0.00 C ATOM 412 CG TYR A 45 1.004 4.472 1.969 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.194 3.827 2.355 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.970 5.880 1.893 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.349 4.583 2.639 1.00 0.00 C ATOM 416 CE2 TYR A 45 2.122 6.639 2.177 1.00 0.00 C ATOM 417 CZ TYR A 45 3.317 5.990 2.553 1.00 0.00 C ATOM 418 OH TYR A 45 4.431 6.710 2.856 1.00 0.00 O ATOM 0 H TYR A 45 -0.568 4.304 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 45 0.499 2.039 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.097 4.334 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.414 2.962 2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.222 2.750 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.054 6.380 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.263 4.082 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.091 7.716 2.107 1.00 0.00 H new ATOM 0 HH TYR A 45 4.243 7.665 2.745 1.00 0.00 H new ATOM 428 N TYR A 46 -1.706 0.904 0.095 1.00 0.00 N ATOM 429 CA TYR A 46 -2.903 0.153 -0.321 1.00 0.00 C ATOM 430 C TYR A 46 -3.316 -0.881 0.736 1.00 0.00 C ATOM 431 O TYR A 46 -2.491 -1.676 1.186 1.00 0.00 O ATOM 432 CB TYR A 46 -2.638 -0.567 -1.650 1.00 0.00 C ATOM 433 CG TYR A 46 -2.282 0.302 -2.845 1.00 0.00 C ATOM 434 CD1 TYR A 46 -0.943 0.671 -3.090 1.00 0.00 C ATOM 435 CD2 TYR A 46 -3.283 0.658 -3.770 1.00 0.00 C ATOM 436 CE1 TYR A 46 -0.594 1.333 -4.283 1.00 0.00 C ATOM 437 CE2 TYR A 46 -2.940 1.353 -4.945 1.00 0.00 C ATOM 438 CZ TYR A 46 -1.596 1.673 -5.217 1.00 0.00 C ATOM 439 OH TYR A 46 -1.271 2.282 -6.389 1.00 0.00 O ATOM 0 H TYR A 46 -0.954 0.304 0.433 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.715 0.870 -0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.827 -1.278 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.525 -1.146 -1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.181 0.445 -2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.313 0.398 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.438 1.580 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.712 1.643 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.309 2.188 -6.551 1.00 0.00 H new ATOM 449 N CYS A 47 -4.590 -0.873 1.144 1.00 0.00 N ATOM 450 CA CYS A 47 -5.134 -1.837 2.106 1.00 0.00 C ATOM 451 C CYS A 47 -5.254 -3.246 1.494 1.00 0.00 C ATOM 452 O CYS A 47 -5.912 -3.421 0.464 1.00 0.00 O ATOM 453 CB CYS A 47 -6.486 -1.348 2.645 1.00 0.00 C ATOM 454 SG CYS A 47 -7.174 -2.431 3.930 1.00 0.00 S ATOM 0 H CYS A 47 -5.276 -0.194 0.814 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.436 -1.910 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.367 -0.343 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.195 -1.277 1.820 1.00 0.00 H new ATOM 459 N MET A 48 -4.625 -4.244 2.128 1.00 0.00 N ATOM 460 CA MET A 48 -4.799 -5.666 1.793 1.00 0.00 C ATOM 461 C MET A 48 -6.032 -6.239 2.520 1.00 0.00 C ATOM 462 O MET A 48 -7.148 -6.150 2.005 1.00 0.00 O ATOM 463 CB MET A 48 -3.504 -6.445 2.095 1.00 0.00 C ATOM 464 CG MET A 48 -2.405 -6.188 1.059 1.00 0.00 C ATOM 465 SD MET A 48 -2.696 -6.989 -0.543 1.00 0.00 S ATOM 466 CE MET A 48 -1.047 -6.854 -1.288 1.00 0.00 C ATOM 0 H MET A 48 -3.973 -4.087 2.897 1.00 0.00 H new ATOM 0 HA MET A 48 -4.989 -5.773 0.725 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.139 -6.166 3.083 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.725 -7.512 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.311 -5.113 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.453 -6.537 1.460 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.025 -7.410 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.820 -5.806 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.304 -7.265 -0.605 1.00 0.00 H new ATOM 476 N GLY A 49 -5.853 -6.786 3.731 1.00 0.00 N ATOM 477 CA GLY A 49 -6.925 -7.357 4.559 1.00 0.00 C ATOM 478 C GLY A 49 -7.495 -6.355 5.566 1.00 0.00 C ATOM 479 O GLY A 49 -8.702 -6.107 5.593 1.00 0.00 O ATOM 0 H GLY A 49 -4.936 -6.845 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.728 -7.711 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.541 -8.225 5.095 1.00 0.00 H new ATOM 483 N ASN A 50 -6.617 -5.778 6.392 1.00 0.00 N ATOM 484 CA ASN A 50 -6.945 -4.804 7.440 1.00 0.00 C ATOM 485 C ASN A 50 -6.039 -3.560 7.407 1.00 0.00 C ATOM 486 O ASN A 50 -6.544 -2.439 7.428 1.00 0.00 O ATOM 487 CB ASN A 50 -6.957 -5.509 8.816 1.00 0.00 C ATOM 488 CG ASN A 50 -5.603 -6.009 9.311 1.00 0.00 C ATOM 489 OD1 ASN A 50 -4.719 -6.385 8.553 1.00 0.00 O ATOM 490 ND2 ASN A 50 -5.390 -6.025 10.606 1.00 0.00 N ATOM 0 H ASN A 50 -5.619 -5.984 6.348 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.946 -4.417 7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.362 -4.818 9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.641 -6.356 8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.494 -6.349 10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.120 -5.714 11.247 1.00 0.00 H new ATOM 497 N CYS A 51 -4.721 -3.748 7.343 1.00 0.00 N ATOM 498 CA CYS A 51 -3.720 -2.683 7.254 1.00 0.00 C ATOM 499 C CYS A 51 -3.332 -2.364 5.798 1.00 0.00 C ATOM 500 O CYS A 51 -3.610 -3.140 4.877 1.00 0.00 O ATOM 501 CB CYS A 51 -2.487 -3.123 8.054 1.00 0.00 C ATOM 502 SG CYS A 51 -2.753 -3.249 9.841 1.00 0.00 S ATOM 0 H CYS A 51 -4.305 -4.679 7.352 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.142 -1.767 7.666 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.154 -4.091 7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.679 -2.415 7.869 1.00 0.00 H new ATOM 507 N CYS A 52 -2.622 -1.247 5.603 1.00 0.00 N ATOM 508 CA CYS A 52 -2.076 -0.811 4.318 1.00 0.00 C ATOM 509 C CYS A 52 -0.548 -0.636 4.343 1.00 0.00 C ATOM 510 O CYS A 52 -0.016 0.346 4.866 1.00 0.00 O ATOM 511 CB CYS A 52 -2.808 0.435 3.810 1.00 0.00 C ATOM 512 SG CYS A 52 -2.982 1.858 4.912 1.00 0.00 S ATOM 0 H CYS A 52 -2.406 -0.602 6.363 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.257 -1.612 3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.294 0.775 2.911 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.809 0.128 3.508 1.00 0.00 H new ATOM 517 N LYS A 53 0.160 -1.616 3.768 1.00 0.00 N ATOM 518 CA LYS A 53 1.611 -1.573 3.518 1.00 0.00 C ATOM 519 C LYS A 53 1.992 -0.583 2.414 1.00 0.00 C ATOM 520 O LYS A 53 1.153 -0.090 1.656 1.00 0.00 O ATOM 521 CB LYS A 53 2.108 -2.993 3.184 1.00 0.00 C ATOM 522 CG LYS A 53 2.561 -3.716 4.461 1.00 0.00 C ATOM 523 CD LYS A 53 2.557 -5.247 4.350 1.00 0.00 C ATOM 524 CE LYS A 53 3.869 -5.853 3.842 1.00 0.00 C ATOM 525 NZ LYS A 53 4.157 -5.533 2.426 1.00 0.00 N ATOM 0 H LYS A 53 -0.270 -2.486 3.454 1.00 0.00 H new ATOM 0 HA LYS A 53 2.099 -1.214 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.312 -3.559 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.935 -2.939 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.567 -3.384 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.910 -3.420 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.333 -5.669 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.750 -5.548 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.690 -5.493 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.830 -6.936 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.950 -6.117 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.315 -5.729 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.409 -4.527 2.342 1.00 0.00 H new ATOM 539 N VAL A 54 3.295 -0.319 2.341 1.00 0.00 N ATOM 540 CA VAL A 54 3.939 0.543 1.338 1.00 0.00 C ATOM 541 C VAL A 54 4.365 -0.234 0.096 1.00 0.00 C ATOM 542 O VAL A 54 5.083 -1.230 0.192 1.00 0.00 O ATOM 543 CB VAL A 54 5.111 1.329 1.960 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.264 0.482 2.509 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.687 2.322 0.953 1.00 0.00 C ATOM 0 H VAL A 54 3.963 -0.713 3.004 1.00 0.00 H new ATOM 0 HA VAL A 54 3.196 1.267 1.003 1.00 0.00 H new ATOM 0 HB VAL A 54 4.661 1.830 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.032 1.136 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.890 -0.178 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.691 -0.116 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.513 2.867 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.049 1.783 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.911 3.026 0.651 1.00 0.00 H new ATOM 555 N TYR A 55 3.921 0.243 -1.069 1.00 0.00 N ATOM 556 CA TYR A 55 4.181 -0.339 -2.390 1.00 0.00 C ATOM 557 C TYR A 55 4.608 0.745 -3.398 1.00 0.00 C ATOM 558 O TYR A 55 4.369 1.937 -3.193 1.00 0.00 O ATOM 559 CB TYR A 55 2.928 -1.108 -2.865 1.00 0.00 C ATOM 560 CG TYR A 55 2.403 -2.190 -1.923 1.00 0.00 C ATOM 561 CD1 TYR A 55 3.290 -3.068 -1.274 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.020 -2.332 -1.695 1.00 0.00 C ATOM 563 CE1 TYR A 55 2.812 -4.046 -0.384 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.530 -3.310 -0.803 1.00 0.00 C ATOM 565 CZ TYR A 55 1.432 -4.173 -0.147 1.00 0.00 C ATOM 566 OH TYR A 55 1.001 -5.131 0.717 1.00 0.00 O ATOM 0 H TYR A 55 3.345 1.083 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 55 5.011 -1.042 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.129 -0.387 -3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.154 -1.570 -3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.351 -2.990 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.326 -1.684 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.507 -4.702 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.531 -3.397 -0.624 1.00 0.00 H new ATOM 0 HH TYR A 55 0.070 -4.952 0.967 1.00 0.00 H new ATOM 576 N GLU A 56 5.241 0.338 -4.501 1.00 0.00 N ATOM 577 CA GLU A 56 5.819 1.238 -5.512 1.00 0.00 C ATOM 578 C GLU A 56 5.324 0.882 -6.924 1.00 0.00 C ATOM 579 O GLU A 56 6.000 0.197 -7.701 1.00 0.00 O ATOM 580 CB GLU A 56 7.358 1.256 -5.402 1.00 0.00 C ATOM 581 CG GLU A 56 7.873 2.016 -4.167 1.00 0.00 C ATOM 582 CD GLU A 56 7.587 3.537 -4.184 1.00 0.00 C ATOM 583 OE1 GLU A 56 7.201 4.097 -5.240 1.00 0.00 O ATOM 584 OE2 GLU A 56 7.754 4.178 -3.120 1.00 0.00 O ATOM 0 H GLU A 56 5.371 -0.649 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 56 5.474 2.253 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.724 0.230 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.774 1.713 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.420 1.584 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.949 1.862 -4.084 1.00 0.00 H new ATOM 591 N GLY A 57 4.115 1.353 -7.241 1.00 0.00 N ATOM 592 CA GLY A 57 3.456 1.244 -8.546 1.00 0.00 C ATOM 593 C GLY A 57 1.990 1.697 -8.511 1.00 0.00 C ATOM 594 O GLY A 57 1.397 1.856 -7.439 1.00 0.00 O ATOM 0 H GLY A 57 3.539 1.846 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.000 1.845 -9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.504 0.210 -8.887 1.00 0.00 H new ATOM 598 N CYS A 58 1.387 1.885 -9.688 1.00 0.00 N ATOM 599 CA CYS A 58 -0.028 2.244 -9.858 1.00 0.00 C ATOM 600 C CYS A 58 -0.926 0.989 -9.845 1.00 0.00 C ATOM 601 O CYS A 58 -1.455 0.564 -10.876 1.00 0.00 O ATOM 602 CB CYS A 58 -0.188 3.079 -11.140 1.00 0.00 C ATOM 603 SG CYS A 58 0.653 4.680 -10.948 1.00 0.00 S ATOM 0 H CYS A 58 1.881 1.790 -10.575 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.356 2.854 -9.017 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.229 2.539 -11.990 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.246 3.237 -11.351 1.00 0.00 H new ATOM 0 HG CYS A 58 0.514 5.377 -12.037 1.00 0.00 H new ATOM 609 N TYR A 59 -1.089 0.382 -8.668 1.00 0.00 N ATOM 610 CA TYR A 59 -1.900 -0.813 -8.411 1.00 0.00 C ATOM 611 C TYR A 59 -3.409 -0.477 -8.433 1.00 0.00 C ATOM 612 O TYR A 59 -4.055 -0.304 -7.398 1.00 0.00 O ATOM 613 CB TYR A 59 -1.427 -1.461 -7.092 1.00 0.00 C ATOM 614 CG TYR A 59 -1.623 -2.965 -6.991 1.00 0.00 C ATOM 615 CD1 TYR A 59 -2.852 -3.568 -7.331 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.555 -3.772 -6.545 1.00 0.00 C ATOM 617 CE1 TYR A 59 -3.004 -4.965 -7.254 1.00 0.00 C ATOM 618 CE2 TYR A 59 -0.708 -5.168 -6.449 1.00 0.00 C ATOM 619 CZ TYR A 59 -1.932 -5.771 -6.811 1.00 0.00 C ATOM 620 OH TYR A 59 -2.071 -7.124 -6.731 1.00 0.00 O ATOM 0 H TYR A 59 -0.635 0.728 -7.823 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.760 -1.545 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.368 -1.241 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.956 -0.987 -6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.681 -2.954 -7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.386 -3.316 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.942 -5.422 -7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.111 -5.778 -6.098 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.235 -7.520 -6.409 1.00 0.00 H new ATOM 630 N THR A 60 -3.981 -0.361 -9.635 1.00 0.00 N ATOM 631 CA THR A 60 -5.396 0.001 -9.889 1.00 0.00 C ATOM 632 C THR A 60 -5.818 1.333 -9.223 1.00 0.00 C ATOM 633 O THR A 60 -6.966 1.522 -8.815 1.00 0.00 O ATOM 634 CB THR A 60 -6.346 -1.175 -9.551 1.00 0.00 C ATOM 635 OG1 THR A 60 -5.755 -2.423 -9.879 1.00 0.00 O ATOM 636 CG2 THR A 60 -7.649 -1.129 -10.357 1.00 0.00 C ATOM 0 H THR A 60 -3.459 -0.521 -10.497 1.00 0.00 H new ATOM 0 HA THR A 60 -5.486 0.187 -10.959 1.00 0.00 H new ATOM 0 HB THR A 60 -6.543 -1.076 -8.483 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.375 -3.148 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.278 -1.976 -10.081 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.177 -0.200 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.420 -1.179 -11.422 1.00 0.00 H new ATOM 644 N GLY A 61 -4.880 2.278 -9.088 1.00 0.00 N ATOM 645 CA GLY A 61 -5.079 3.623 -8.522 1.00 0.00 C ATOM 646 C GLY A 61 -5.114 3.660 -6.987 1.00 0.00 C ATOM 647 O GLY A 61 -4.248 4.276 -6.362 1.00 0.00 O ATOM 0 H GLY A 61 -3.916 2.121 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.278 4.275 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.014 4.032 -8.906 1.00 0.00 H new ATOM 651 N GLY A 62 -6.110 2.997 -6.387 1.00 0.00 N ATOM 652 CA GLY A 62 -6.344 2.872 -4.940 1.00 0.00 C ATOM 653 C GLY A 62 -6.362 4.205 -4.177 1.00 0.00 C ATOM 654 O GLY A 62 -7.219 5.054 -4.436 1.00 0.00 O ATOM 0 H GLY A 62 -6.818 2.503 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.296 2.365 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.569 2.235 -4.514 1.00 0.00 H new ATOM 658 N TYR A 63 -5.431 4.379 -3.231 1.00 0.00 N ATOM 659 CA TYR A 63 -5.317 5.558 -2.356 1.00 0.00 C ATOM 660 C TYR A 63 -3.914 6.188 -2.414 1.00 0.00 C ATOM 661 O TYR A 63 -2.917 5.497 -2.633 1.00 0.00 O ATOM 662 CB TYR A 63 -5.646 5.166 -0.904 1.00 0.00 C ATOM 663 CG TYR A 63 -6.956 4.425 -0.697 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.184 5.077 -0.926 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.945 3.082 -0.271 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.398 4.387 -0.736 1.00 0.00 C ATOM 667 CE2 TYR A 63 -8.156 2.393 -0.067 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.387 3.042 -0.304 1.00 0.00 C ATOM 669 OH TYR A 63 -10.554 2.364 -0.124 1.00 0.00 O ATOM 0 H TYR A 63 -4.711 3.681 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.030 6.300 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.835 4.545 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.664 6.072 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.195 6.108 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.004 2.579 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.337 4.887 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.143 1.367 0.271 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.359 1.451 0.174 1.00 0.00 H new ATOM 679 N SER A 64 -3.832 7.495 -2.142 1.00 0.00 N ATOM 680 CA SER A 64 -2.599 8.309 -2.237 1.00 0.00 C ATOM 681 C SER A 64 -2.151 8.927 -0.901 1.00 0.00 C ATOM 682 O SER A 64 -1.185 9.693 -0.860 1.00 0.00 O ATOM 683 CB SER A 64 -2.766 9.390 -3.314 1.00 0.00 C ATOM 684 OG SER A 64 -3.045 8.793 -4.574 1.00 0.00 O ATOM 0 H SER A 64 -4.641 8.038 -1.840 1.00 0.00 H new ATOM 0 HA SER A 64 -1.799 7.625 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.575 10.066 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.858 9.989 -3.381 1.00 0.00 H new ATOM 0 HG SER A 64 -3.151 9.493 -5.251 1.00 0.00 H new ATOM 690 N ARG A 65 -2.827 8.582 0.204 1.00 0.00 N ATOM 691 CA ARG A 65 -2.511 8.968 1.591 1.00 0.00 C ATOM 692 C ARG A 65 -2.596 7.751 2.510 1.00 0.00 C ATOM 693 O ARG A 65 -3.528 6.952 2.400 1.00 0.00 O ATOM 694 CB ARG A 65 -3.505 10.047 2.069 1.00 0.00 C ATOM 695 CG ARG A 65 -3.220 11.467 1.555 1.00 0.00 C ATOM 696 CD ARG A 65 -2.030 12.107 2.288 1.00 0.00 C ATOM 697 NE ARG A 65 -1.878 13.536 1.948 1.00 0.00 N ATOM 698 CZ ARG A 65 -2.515 14.570 2.474 1.00 0.00 C ATOM 699 NH1 ARG A 65 -3.439 14.433 3.384 1.00 0.00 N ATOM 700 NH2 ARG A 65 -2.234 15.782 2.090 1.00 0.00 N ATOM 0 H ARG A 65 -3.657 7.992 0.153 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.497 9.367 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.509 9.759 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.503 10.064 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.013 11.432 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.106 12.087 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.168 12.003 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.115 11.573 2.030 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.199 13.753 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.694 13.503 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.906 15.256 3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.519 15.939 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.729 16.574 2.500 1.00 0.00 H new ATOM 714 N MET A 66 -1.673 7.654 3.468 1.00 0.00 N ATOM 715 CA MET A 66 -1.706 6.616 4.506 1.00 0.00 C ATOM 716 C MET A 66 -2.952 6.737 5.408 1.00 0.00 C ATOM 717 O MET A 66 -3.499 5.727 5.850 1.00 0.00 O ATOM 718 CB MET A 66 -0.394 6.643 5.303 1.00 0.00 C ATOM 719 CG MET A 66 -0.331 5.496 6.321 1.00 0.00 C ATOM 720 SD MET A 66 1.247 5.312 7.196 1.00 0.00 S ATOM 721 CE MET A 66 2.175 4.388 5.942 1.00 0.00 C ATOM 0 H MET A 66 -0.881 8.291 3.548 1.00 0.00 H new ATOM 0 HA MET A 66 -1.790 5.642 4.025 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.451 6.570 4.618 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.302 7.597 5.822 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.120 5.645 7.058 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.550 4.562 5.803 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.665 3.533 6.408 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.492 4.038 5.168 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.927 5.037 5.494 1.00 0.00 H new ATOM 731 N GLY A 67 -3.461 7.958 5.620 1.00 0.00 N ATOM 732 CA GLY A 67 -4.716 8.202 6.341 1.00 0.00 C ATOM 733 C GLY A 67 -5.938 7.603 5.639 1.00 0.00 C ATOM 734 O GLY A 67 -6.781 6.979 6.279 1.00 0.00 O ATOM 0 H GLY A 67 -3.009 8.811 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.639 7.783 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.860 9.276 6.454 1.00 0.00 H new ATOM 738 N GLU A 68 -6.029 7.752 4.315 1.00 0.00 N ATOM 739 CA GLU A 68 -7.115 7.194 3.496 1.00 0.00 C ATOM 740 C GLU A 68 -7.110 5.662 3.479 1.00 0.00 C ATOM 741 O GLU A 68 -8.152 5.047 3.710 1.00 0.00 O ATOM 742 CB GLU A 68 -7.064 7.747 2.062 1.00 0.00 C ATOM 743 CG GLU A 68 -7.419 9.241 1.975 1.00 0.00 C ATOM 744 CD GLU A 68 -8.831 9.553 2.510 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.814 8.915 2.062 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.955 10.426 3.404 1.00 0.00 O ATOM 0 H GLU A 68 -5.341 8.272 3.771 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.049 7.508 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.064 7.594 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.753 7.180 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.686 9.817 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.349 9.566 0.937 1.00 0.00 H new ATOM 753 N CYS A 69 -5.961 5.023 3.244 1.00 0.00 N ATOM 754 CA CYS A 69 -5.899 3.558 3.219 1.00 0.00 C ATOM 755 C CYS A 69 -6.146 2.915 4.598 1.00 0.00 C ATOM 756 O CYS A 69 -6.558 1.757 4.667 1.00 0.00 O ATOM 757 CB CYS A 69 -4.577 3.110 2.595 1.00 0.00 C ATOM 758 SG CYS A 69 -3.074 3.382 3.567 1.00 0.00 S ATOM 0 H CYS A 69 -5.071 5.489 3.070 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.719 3.200 2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.650 2.045 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.461 3.625 1.641 1.00 0.00 H new ATOM 763 N ALA A 70 -5.947 3.669 5.684 1.00 0.00 N ATOM 764 CA ALA A 70 -6.310 3.298 7.045 1.00 0.00 C ATOM 765 C ALA A 70 -7.817 3.492 7.299 1.00 0.00 C ATOM 766 O ALA A 70 -8.513 2.515 7.569 1.00 0.00 O ATOM 767 CB ALA A 70 -5.444 4.110 8.015 1.00 0.00 C ATOM 0 H ALA A 70 -5.511 4.590 5.631 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.119 2.237 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.701 3.846 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.392 3.888 7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.622 5.174 7.859 1.00 0.00 H new ATOM 773 N ARG A 71 -8.349 4.724 7.201 1.00 0.00 N ATOM 774 CA ARG A 71 -9.737 5.067 7.574 1.00 0.00 C ATOM 775 C ARG A 71 -10.822 4.335 6.769 1.00 0.00 C ATOM 776 O ARG A 71 -11.915 4.107 7.288 1.00 0.00 O ATOM 777 CB ARG A 71 -9.904 6.598 7.524 1.00 0.00 C ATOM 778 CG ARG A 71 -10.181 7.150 6.112 1.00 0.00 C ATOM 779 CD ARG A 71 -9.735 8.598 5.883 1.00 0.00 C ATOM 780 NE ARG A 71 -10.032 9.496 7.009 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.986 10.817 6.979 1.00 0.00 C ATOM 782 NH1 ARG A 71 -9.687 11.480 5.897 1.00 0.00 N ATOM 783 NH2 ARG A 71 -10.235 11.509 8.054 1.00 0.00 N ATOM 0 H ARG A 71 -7.819 5.524 6.855 1.00 0.00 H new ATOM 0 HA ARG A 71 -9.894 4.708 8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.723 6.886 8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.000 7.065 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.680 6.512 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.251 7.080 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.662 8.612 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.223 8.981 4.987 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.297 9.061 7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.478 10.979 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.662 12.500 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.467 11.032 8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.198 12.528 8.025 1.00 0.00 H new ATOM 797 N ASN A 72 -10.525 3.947 5.525 1.00 0.00 N ATOM 798 CA ASN A 72 -11.411 3.149 4.667 1.00 0.00 C ATOM 799 C ASN A 72 -11.353 1.629 4.960 1.00 0.00 C ATOM 800 O ASN A 72 -12.105 0.861 4.356 1.00 0.00 O ATOM 801 CB ASN A 72 -11.091 3.462 3.192 1.00 0.00 C ATOM 802 CG ASN A 72 -11.476 4.881 2.791 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.630 5.283 2.862 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.533 5.679 2.350 1.00 0.00 N ATOM 0 H ASN A 72 -9.641 4.184 5.074 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.439 3.434 4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.025 3.317 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.618 2.753 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.762 6.632 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.571 5.347 2.290 1.00 0.00 H new ATOM 811 N CYS A 73 -10.495 1.187 5.889 1.00 0.00 N ATOM 812 CA CYS A 73 -10.284 -0.211 6.283 1.00 0.00 C ATOM 813 C CYS A 73 -10.419 -0.437 7.813 1.00 0.00 C ATOM 814 O CYS A 73 -10.473 0.527 8.584 1.00 0.00 O ATOM 815 CB CYS A 73 -8.921 -0.653 5.722 1.00 0.00 C ATOM 816 SG CYS A 73 -9.056 -1.725 4.263 1.00 0.00 S ATOM 0 H CYS A 73 -9.899 1.828 6.412 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.071 -0.835 5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.339 0.231 5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.369 -1.179 6.501 1.00 0.00 H new ATOM 821 N PRO A 74 -10.506 -1.700 8.288 1.00 0.00 N ATOM 822 CA PRO A 74 -10.706 -2.013 9.710 1.00 0.00 C ATOM 823 C PRO A 74 -9.431 -1.922 10.576 1.00 0.00 C ATOM 824 O PRO A 74 -9.528 -2.011 11.804 1.00 0.00 O ATOM 825 CB PRO A 74 -11.289 -3.431 9.721 1.00 0.00 C ATOM 826 CG PRO A 74 -10.671 -4.075 8.484 1.00 0.00 C ATOM 827 CD PRO A 74 -10.604 -2.918 7.489 1.00 0.00 C ATOM 0 HA PRO A 74 -11.365 -1.273 10.163 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.021 -3.969 10.631 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.378 -3.419 9.667 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.683 -4.484 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.283 -4.895 8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.743 -3.021 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.490 -2.898 6.855 1.00 0.00 H new ATOM 835 N GLY A 75 -8.248 -1.752 9.965 1.00 0.00 N ATOM 836 CA GLY A 75 -6.939 -1.616 10.633 1.00 0.00 C ATOM 837 C GLY A 75 -6.479 -0.162 10.765 1.00 0.00 C ATOM 838 O GLY A 75 -6.982 0.543 11.668 1.00 0.00 O ATOM 839 OXT GLY A 75 -5.600 0.255 9.979 1.00 0.00 O ATOM 0 H GLY A 75 -8.172 -1.703 8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.996 -2.064 11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.192 -2.177 10.072 1.00 0.00 H new TER 843 GLY A 75