USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 366 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 37 ASN : amide:sc= 0.9 K(o=0.92,f=-0.0058) USER MOD Set 1.2: A 48 TYR OH : rot 71:sc= 0.0216 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.923 K(o=5,f=-8!) USER MOD Set 2.2: A 22 LYS NZ :NH3+ 146:sc= 2.21 (180deg=0.477) USER MOD Set 2.3: A 35 SER OG : rot 39:sc= 1.87 USER MOD Set 3.1: A 23 ASN : amide:sc= 0.0516 K(o=0.74,f=-5.5!) USER MOD Set 3.2: A 27 ASN : amide:sc= 0.687 K(o=0.74,f=-2.7!) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.146 (180deg=-0.146) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= 2.17 (180deg=2.15) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -141:sc= 1.76 USER MOD Single : A 12 SER OG : rot 68:sc= 1.91 USER MOD Single : A 17 ASN : amide:sc= 1.02 K(o=1,f=-5.2!) USER MOD Single : A 19 ASN : amide:sc=-0.00252 X(o=-0.0025,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.016) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 2.02 (180deg=0.625) USER MOD Single : A 33 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-1.6) USER MOD Single : A 38 TYR OH : rot -22:sc= 1.2 USER MOD Single : A 43 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 1.03 (180deg=0.727) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -0.744 -2.505 0.575 1.00 1.00 N HETATM 2 CA PCA A 1 -0.797 -2.026 1.944 1.00 1.00 C HETATM 3 CB PCA A 1 -0.423 -3.245 2.808 1.00 1.00 C HETATM 4 CG PCA A 1 0.208 -4.234 1.817 1.00 1.00 C HETATM 5 CD PCA A 1 -0.189 -3.702 0.456 1.00 1.00 C HETATM 6 OE PCA A 1 0.025 -4.287 -0.599 1.00 1.00 O HETATM 7 C PCA A 1 0.171 -0.857 2.141 1.00 1.00 C HETATM 8 O PCA A 1 -0.164 0.125 2.799 1.00 1.00 O HETATM 0 H2 PCA A 1 -1.407 -3.298 0.459 1.00 1.00 H new HETATM 0 HA PCA A 1 -1.779 -1.641 2.217 1.00 1.00 H new HETATM 0 HB2 PCA A 1 0.277 -2.973 3.598 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -1.300 -3.673 3.293 1.00 1.00 H new HETATM 0 HG2 PCA A 1 1.292 -4.273 1.929 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -0.165 -5.246 1.973 1.00 1.00 H new ATOM 15 N LYS A 2 1.365 -0.960 1.548 1.00 1.00 N ATOM 16 CA LYS A 2 2.399 0.062 1.633 1.00 1.00 C ATOM 17 C LYS A 2 1.890 1.426 1.163 1.00 1.00 C ATOM 18 O LYS A 2 0.905 1.516 0.426 1.00 1.00 O ATOM 19 CB LYS A 2 3.639 -0.362 0.825 1.00 1.00 C ATOM 20 CG LYS A 2 3.360 -0.554 -0.678 1.00 1.00 C ATOM 21 CD LYS A 2 4.636 -0.888 -1.474 1.00 1.00 C ATOM 22 CE LYS A 2 5.627 0.281 -1.637 1.00 1.00 C ATOM 23 NZ LYS A 2 5.063 1.403 -2.415 1.00 1.00 N ATOM 0 H LYS A 2 1.638 -1.768 0.989 1.00 1.00 H new ATOM 0 HA LYS A 2 2.678 0.163 2.682 1.00 1.00 H new ATOM 0 HB2 LYS A 2 4.417 0.391 0.948 1.00 1.00 H new ATOM 0 HB3 LYS A 2 4.029 -1.293 1.236 1.00 1.00 H new ATOM 0 HG2 LYS A 2 2.632 -1.355 -0.810 1.00 1.00 H new ATOM 0 HG3 LYS A 2 2.911 0.354 -1.080 1.00 1.00 H new ATOM 0 HD2 LYS A 2 5.149 -1.713 -0.980 1.00 1.00 H new ATOM 0 HD3 LYS A 2 4.347 -1.240 -2.464 1.00 1.00 H new ATOM 0 HE2 LYS A 2 5.924 0.640 -0.652 1.00 1.00 H new ATOM 0 HE3 LYS A 2 6.530 -0.080 -2.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 5.776 2.154 -2.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 4.788 1.067 -3.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 4.227 1.779 -1.925 1.00 1.00 H new ATOM 37 N LEU A 3 2.600 2.492 1.536 1.00 1.00 N ATOM 38 CA LEU A 3 2.340 3.803 0.968 1.00 1.00 C ATOM 39 C LEU A 3 2.668 3.774 -0.523 1.00 1.00 C ATOM 40 O LEU A 3 3.564 3.043 -0.945 1.00 1.00 O ATOM 41 CB LEU A 3 3.207 4.880 1.627 1.00 1.00 C ATOM 42 CG LEU A 3 3.060 5.003 3.151 1.00 1.00 C ATOM 43 CD1 LEU A 3 4.187 5.897 3.681 1.00 1.00 C ATOM 44 CD2 LEU A 3 1.704 5.603 3.531 1.00 1.00 C ATOM 0 H LEU A 3 3.353 2.468 2.224 1.00 1.00 H new ATOM 0 HA LEU A 3 1.290 4.042 1.138 1.00 1.00 H new ATOM 0 HB2 LEU A 3 4.252 4.673 1.395 1.00 1.00 H new ATOM 0 HB3 LEU A 3 2.965 5.843 1.177 1.00 1.00 H new ATOM 0 HG LEU A 3 3.121 4.009 3.593 1.00 1.00 H new ATOM 0 HD11 LEU A 3 4.096 5.994 4.763 1.00 1.00 H new ATOM 0 HD12 LEU A 3 5.151 5.451 3.436 1.00 1.00 H new ATOM 0 HD13 LEU A 3 4.116 6.883 3.221 1.00 1.00 H new ATOM 0 HD21 LEU A 3 1.630 5.677 4.616 1.00 1.00 H new ATOM 0 HD22 LEU A 3 1.610 6.596 3.092 1.00 1.00 H new ATOM 0 HD23 LEU A 3 0.905 4.963 3.156 1.00 1.00 H new ATOM 56 N CYS A 4 1.970 4.581 -1.314 1.00 1.00 N ATOM 57 CA CYS A 4 2.313 4.852 -2.701 1.00 1.00 C ATOM 58 C CYS A 4 3.000 6.204 -2.679 1.00 1.00 C ATOM 59 O CYS A 4 2.356 7.212 -2.392 1.00 1.00 O ATOM 60 CB CYS A 4 1.083 4.882 -3.617 1.00 1.00 C ATOM 61 SG CYS A 4 0.741 3.312 -4.436 1.00 1.00 S ATOM 0 H CYS A 4 1.134 5.074 -1.001 1.00 1.00 H new ATOM 0 HA CYS A 4 2.949 4.064 -3.105 1.00 1.00 H new ATOM 0 HB2 CYS A 4 0.212 5.171 -3.029 1.00 1.00 H new ATOM 0 HB3 CYS A 4 1.226 5.652 -4.375 1.00 1.00 H new ATOM 66 N GLU A 5 4.309 6.221 -2.943 1.00 1.00 N ATOM 67 CA GLU A 5 5.083 7.448 -3.033 1.00 1.00 C ATOM 68 C GLU A 5 4.738 8.125 -4.364 1.00 1.00 C ATOM 69 O GLU A 5 5.536 8.134 -5.297 1.00 1.00 O ATOM 70 CB GLU A 5 6.581 7.128 -2.903 1.00 1.00 C ATOM 71 CG GLU A 5 6.874 6.114 -1.786 1.00 1.00 C ATOM 72 CD GLU A 5 7.080 4.706 -2.342 1.00 1.00 C ATOM 73 OE1 GLU A 5 6.106 3.983 -2.577 1.00 1.00 O ATOM 74 OE2 GLU A 5 8.372 4.346 -2.567 1.00 1.00 O ATOM 0 H GLU A 5 4.859 5.376 -3.100 1.00 1.00 H new ATOM 0 HA GLU A 5 4.839 8.134 -2.222 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.948 6.735 -3.851 1.00 1.00 H new ATOM 0 HB3 GLU A 5 7.130 8.049 -2.706 1.00 1.00 H new ATOM 0 HG2 GLU A 5 7.764 6.423 -1.238 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.048 6.107 -1.075 1.00 1.00 H new ATOM 82 N ARG A 6 3.512 8.633 -4.456 1.00 1.00 N ATOM 83 CA ARG A 6 2.873 9.130 -5.665 1.00 1.00 C ATOM 84 C ARG A 6 3.672 10.285 -6.273 1.00 1.00 C ATOM 85 O ARG A 6 3.643 11.377 -5.701 1.00 1.00 O ATOM 86 CB ARG A 6 1.456 9.601 -5.305 1.00 1.00 C ATOM 87 CG ARG A 6 0.676 10.158 -6.510 1.00 1.00 C ATOM 88 CD ARG A 6 0.122 11.581 -6.302 1.00 1.00 C ATOM 89 NE ARG A 6 1.178 12.610 -6.286 1.00 1.00 N ATOM 90 CZ ARG A 6 0.983 13.932 -6.430 1.00 1.00 C ATOM 91 NH1 ARG A 6 -0.260 14.428 -6.373 1.00 1.00 N ATOM 92 NH2 ARG A 6 2.030 14.736 -6.631 1.00 1.00 N ATOM 0 H ARG A 6 2.905 8.712 -3.640 1.00 1.00 H new ATOM 0 HA ARG A 6 2.830 8.332 -6.406 1.00 1.00 H new ATOM 0 HB2 ARG A 6 0.901 8.767 -4.876 1.00 1.00 H new ATOM 0 HB3 ARG A 6 1.521 10.370 -4.536 1.00 1.00 H new ATOM 0 HG2 ARG A 6 1.329 10.159 -7.382 1.00 1.00 H new ATOM 0 HG3 ARG A 6 -0.153 9.487 -6.733 1.00 1.00 H new ATOM 0 HD2 ARG A 6 -0.589 11.809 -7.097 1.00 1.00 H new ATOM 0 HD3 ARG A 6 -0.429 11.618 -5.362 1.00 1.00 H new ATOM 0 HE ARG A 6 2.138 12.291 -6.154 1.00 1.00 H new ATOM 0 HH11 ARG A 6 -1.052 13.803 -6.221 1.00 1.00 H new ATOM 0 HH12 ARG A 6 -0.415 15.430 -6.482 1.00 1.00 H new ATOM 0 HH21 ARG A 6 2.972 14.346 -6.675 1.00 1.00 H new ATOM 0 HH22 ARG A 6 1.888 15.740 -6.741 1.00 1.00 H new ATOM 106 N PRO A 7 4.301 10.111 -7.448 1.00 1.00 N ATOM 107 CA PRO A 7 4.889 11.221 -8.165 1.00 1.00 C ATOM 108 C PRO A 7 3.762 12.057 -8.775 1.00 1.00 C ATOM 109 O PRO A 7 3.410 13.101 -8.231 1.00 1.00 O ATOM 110 CB PRO A 7 5.830 10.593 -9.196 1.00 1.00 C ATOM 111 CG PRO A 7 5.269 9.188 -9.446 1.00 1.00 C ATOM 112 CD PRO A 7 4.400 8.879 -8.221 1.00 1.00 C ATOM 0 HA PRO A 7 5.462 11.906 -7.540 1.00 1.00 H new ATOM 0 HB2 PRO A 7 5.853 11.177 -10.116 1.00 1.00 H new ATOM 0 HB3 PRO A 7 6.852 10.548 -8.821 1.00 1.00 H new ATOM 0 HG2 PRO A 7 4.682 9.156 -10.364 1.00 1.00 H new ATOM 0 HG3 PRO A 7 6.071 8.457 -9.555 1.00 1.00 H new ATOM 0 HD2 PRO A 7 3.412 8.534 -8.526 1.00 1.00 H new ATOM 0 HD3 PRO A 7 4.845 8.083 -7.623 1.00 1.00 H new ATOM 120 N SER A 8 3.184 11.590 -9.883 1.00 1.00 N ATOM 121 CA SER A 8 2.176 12.305 -10.647 1.00 1.00 C ATOM 122 C SER A 8 0.768 12.112 -10.083 1.00 1.00 C ATOM 123 O SER A 8 0.452 11.070 -9.515 1.00 1.00 O ATOM 124 CB SER A 8 2.230 11.829 -12.102 1.00 1.00 C ATOM 125 OG SER A 8 3.569 11.870 -12.561 1.00 1.00 O ATOM 0 H SER A 8 3.415 10.679 -10.279 1.00 1.00 H new ATOM 0 HA SER A 8 2.396 13.371 -10.584 1.00 1.00 H new ATOM 0 HB2 SER A 8 1.838 10.815 -12.179 1.00 1.00 H new ATOM 0 HB3 SER A 8 1.600 12.462 -12.727 1.00 1.00 H new ATOM 0 HG SER A 8 3.605 11.564 -13.491 1.00 1.00 H new ATOM 131 N GLY A 9 -0.090 13.108 -10.292 1.00 1.00 N ATOM 132 CA GLY A 9 -1.511 13.070 -10.000 1.00 1.00 C ATOM 133 C GLY A 9 -2.032 14.491 -10.163 1.00 1.00 C ATOM 134 O GLY A 9 -2.458 14.878 -11.247 1.00 1.00 O ATOM 0 H GLY A 9 0.205 14.001 -10.687 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -2.027 12.389 -10.677 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -1.688 12.707 -8.988 1.00 1.00 H new ATOM 138 N THR A 10 -1.935 15.280 -9.093 1.00 1.00 N ATOM 139 CA THR A 10 -2.174 16.710 -9.127 1.00 1.00 C ATOM 140 C THR A 10 -0.862 17.387 -9.531 1.00 1.00 C ATOM 141 O THR A 10 -0.511 17.454 -10.708 1.00 1.00 O ATOM 142 CB THR A 10 -2.662 17.159 -7.739 1.00 1.00 C ATOM 143 OG1 THR A 10 -1.830 16.602 -6.725 1.00 1.00 O ATOM 144 CG2 THR A 10 -4.103 16.708 -7.506 1.00 1.00 C ATOM 0 H THR A 10 -1.684 14.932 -8.168 1.00 1.00 H new ATOM 0 HA THR A 10 -2.943 16.985 -9.849 1.00 1.00 H new ATOM 0 HB THR A 10 -2.615 18.247 -7.696 1.00 1.00 H new ATOM 0 HG1 THR A 10 -2.382 16.330 -5.962 1.00 1.00 H new ATOM 0 HG21 THR A 10 -4.431 17.034 -6.519 1.00 1.00 H new ATOM 0 HG22 THR A 10 -4.749 17.146 -8.267 1.00 1.00 H new ATOM 0 HG23 THR A 10 -4.158 15.621 -7.566 1.00 1.00 H new ATOM 152 N TRP A 11 -0.109 17.842 -8.529 1.00 1.00 N ATOM 153 CA TRP A 11 1.188 18.464 -8.705 1.00 1.00 C ATOM 154 C TRP A 11 2.158 17.395 -9.189 1.00 1.00 C ATOM 155 O TRP A 11 2.745 16.680 -8.379 1.00 1.00 O ATOM 156 CB TRP A 11 1.616 19.079 -7.373 1.00 1.00 C ATOM 157 CG TRP A 11 2.798 20.001 -7.378 1.00 1.00 C ATOM 158 CD1 TRP A 11 3.857 19.999 -8.220 1.00 1.00 C ATOM 159 CD2 TRP A 11 3.030 21.103 -6.463 1.00 1.00 C ATOM 160 NE1 TRP A 11 4.716 21.029 -7.896 1.00 1.00 N ATOM 161 CE2 TRP A 11 4.248 21.750 -6.815 1.00 1.00 C ATOM 162 CE3 TRP A 11 2.313 21.624 -5.371 1.00 1.00 C ATOM 163 CZ2 TRP A 11 4.727 22.866 -6.110 1.00 1.00 C ATOM 164 CZ3 TRP A 11 2.799 22.719 -4.642 1.00 1.00 C ATOM 165 CH2 TRP A 11 4.018 23.317 -4.986 1.00 1.00 C ATOM 0 H TRP A 11 -0.398 17.783 -7.553 1.00 1.00 H new ATOM 0 HA TRP A 11 1.164 19.264 -9.445 1.00 1.00 H new ATOM 0 HB2 TRP A 11 0.765 19.627 -6.968 1.00 1.00 H new ATOM 0 HB3 TRP A 11 1.829 18.264 -6.681 1.00 1.00 H new ATOM 0 HD1 TRP A 11 4.008 19.296 -9.026 1.00 1.00 H new ATOM 0 HE1 TRP A 11 5.585 21.232 -8.391 1.00 1.00 H new ATOM 0 HE3 TRP A 11 1.373 21.173 -5.089 1.00 1.00 H new ATOM 0 HZ2 TRP A 11 5.628 23.370 -6.428 1.00 1.00 H new ATOM 0 HZ3 TRP A 11 2.229 23.104 -3.809 1.00 1.00 H new ATOM 0 HH2 TRP A 11 4.412 24.125 -4.387 1.00 1.00 H new ATOM 176 N SER A 12 2.282 17.271 -10.506 1.00 1.00 N ATOM 177 CA SER A 12 3.046 16.227 -11.166 1.00 1.00 C ATOM 178 C SER A 12 4.352 16.804 -11.705 1.00 1.00 C ATOM 179 O SER A 12 4.554 16.842 -12.917 1.00 1.00 O ATOM 180 CB SER A 12 2.178 15.641 -12.286 1.00 1.00 C ATOM 181 OG SER A 12 0.909 15.277 -11.769 1.00 1.00 O ATOM 0 H SER A 12 1.839 17.916 -11.161 1.00 1.00 H new ATOM 0 HA SER A 12 3.309 15.433 -10.467 1.00 1.00 H new ATOM 0 HB2 SER A 12 2.059 16.371 -13.086 1.00 1.00 H new ATOM 0 HB3 SER A 12 2.668 14.769 -12.720 1.00 1.00 H new ATOM 0 HG SER A 12 0.416 16.085 -11.514 1.00 1.00 H new ATOM 187 N GLY A 13 5.237 17.278 -10.823 1.00 1.00 N ATOM 188 CA GLY A 13 6.461 17.918 -11.270 1.00 1.00 C ATOM 189 C GLY A 13 7.316 18.417 -10.113 1.00 1.00 C ATOM 190 O GLY A 13 7.098 18.045 -8.956 1.00 1.00 O ATOM 0 H GLY A 13 5.125 17.228 -9.810 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.039 17.212 -11.866 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.212 18.756 -11.921 1.00 1.00 H new ATOM 194 N VAL A 14 8.300 19.254 -10.461 1.00 1.00 N ATOM 195 CA VAL A 14 9.196 19.917 -9.525 1.00 1.00 C ATOM 196 C VAL A 14 8.371 20.767 -8.561 1.00 1.00 C ATOM 197 O VAL A 14 7.308 21.272 -8.924 1.00 1.00 O ATOM 198 CB VAL A 14 10.248 20.747 -10.285 1.00 1.00 C ATOM 199 CG1 VAL A 14 11.227 21.439 -9.326 1.00 1.00 C ATOM 200 CG2 VAL A 14 11.060 19.855 -11.235 1.00 1.00 C ATOM 0 H VAL A 14 8.495 19.492 -11.434 1.00 1.00 H new ATOM 0 HA VAL A 14 9.743 19.177 -8.941 1.00 1.00 H new ATOM 0 HB VAL A 14 9.702 21.503 -10.849 1.00 1.00 H new ATOM 0 HG11 VAL A 14 11.953 22.014 -9.900 1.00 1.00 H new ATOM 0 HG12 VAL A 14 10.677 22.107 -8.664 1.00 1.00 H new ATOM 0 HG13 VAL A 14 11.747 20.687 -8.732 1.00 1.00 H new ATOM 0 HG21 VAL A 14 11.797 20.461 -11.762 1.00 1.00 H new ATOM 0 HG22 VAL A 14 11.570 19.081 -10.661 1.00 1.00 H new ATOM 0 HG23 VAL A 14 10.390 19.389 -11.958 1.00 1.00 H new ATOM 210 N CYS A 15 8.851 20.883 -7.322 1.00 1.00 N ATOM 211 CA CYS A 15 8.113 21.464 -6.209 1.00 1.00 C ATOM 212 C CYS A 15 8.818 22.674 -5.610 1.00 1.00 C ATOM 213 O CYS A 15 8.218 23.736 -5.480 1.00 1.00 O ATOM 214 CB CYS A 15 7.851 20.391 -5.150 1.00 1.00 C ATOM 215 SG CYS A 15 9.258 19.345 -4.722 1.00 1.00 S ATOM 0 H CYS A 15 9.786 20.567 -7.063 1.00 1.00 H new ATOM 0 HA CYS A 15 7.160 21.829 -6.592 1.00 1.00 H new ATOM 0 HB2 CYS A 15 7.499 20.882 -4.243 1.00 1.00 H new ATOM 0 HB3 CYS A 15 7.041 19.751 -5.501 1.00 1.00 H new ATOM 220 N GLY A 16 10.069 22.501 -5.184 1.00 1.00 N ATOM 221 CA GLY A 16 10.809 23.502 -4.426 1.00 1.00 C ATOM 222 C GLY A 16 10.079 24.032 -3.179 1.00 1.00 C ATOM 223 O GLY A 16 10.439 25.101 -2.689 1.00 1.00 O ATOM 0 H GLY A 16 10.602 21.649 -5.360 1.00 1.00 H new ATOM 0 HA2 GLY A 16 11.762 23.073 -4.118 1.00 1.00 H new ATOM 0 HA3 GLY A 16 11.035 24.342 -5.083 1.00 1.00 H new ATOM 227 N ASN A 17 9.088 23.312 -2.634 1.00 1.00 N ATOM 228 CA ASN A 17 8.370 23.745 -1.435 1.00 1.00 C ATOM 229 C ASN A 17 7.544 22.613 -0.812 1.00 1.00 C ATOM 230 O ASN A 17 6.500 22.222 -1.337 1.00 1.00 O ATOM 231 CB ASN A 17 7.468 24.951 -1.716 1.00 1.00 C ATOM 232 CG ASN A 17 6.978 25.519 -0.388 1.00 1.00 C ATOM 233 OD1 ASN A 17 5.982 25.066 0.166 1.00 1.00 O ATOM 234 ND2 ASN A 17 7.707 26.479 0.168 1.00 1.00 N ATOM 0 H ASN A 17 8.766 22.421 -3.011 1.00 1.00 H new ATOM 0 HA ASN A 17 9.135 24.042 -0.718 1.00 1.00 H new ATOM 0 HB2 ASN A 17 8.017 25.711 -2.272 1.00 1.00 H new ATOM 0 HB3 ASN A 17 6.621 24.653 -2.334 1.00 1.00 H new ATOM 0 HD21 ASN A 17 7.443 26.858 1.078 1.00 1.00 H new ATOM 0 HD22 ASN A 17 8.531 26.838 -0.314 1.00 1.00 H new ATOM 241 N ASN A 18 8.016 22.092 0.324 1.00 1.00 N ATOM 242 CA ASN A 18 7.406 20.983 1.040 1.00 1.00 C ATOM 243 C ASN A 18 5.943 21.230 1.385 1.00 1.00 C ATOM 244 O ASN A 18 5.062 20.469 1.001 1.00 1.00 O ATOM 245 CB ASN A 18 8.210 20.719 2.316 1.00 1.00 C ATOM 246 CG ASN A 18 7.738 19.423 2.946 1.00 1.00 C ATOM 247 OD1 ASN A 18 6.755 19.384 3.681 1.00 1.00 O ATOM 248 ND2 ASN A 18 8.403 18.325 2.624 1.00 1.00 N ATOM 0 H ASN A 18 8.858 22.445 0.779 1.00 1.00 H new ATOM 0 HA ASN A 18 7.424 20.113 0.384 1.00 1.00 H new ATOM 0 HB2 ASN A 18 9.273 20.658 2.084 1.00 1.00 H new ATOM 0 HB3 ASN A 18 8.084 21.544 3.017 1.00 1.00 H new ATOM 0 HD21 ASN A 18 8.102 17.421 2.988 1.00 1.00 H new ATOM 0 HD22 ASN A 18 9.217 18.383 2.012 1.00 1.00 H new ATOM 255 N ASN A 19 5.729 22.284 2.162 1.00 1.00 N ATOM 256 CA ASN A 19 4.439 22.696 2.700 1.00 1.00 C ATOM 257 C ASN A 19 3.379 22.786 1.607 1.00 1.00 C ATOM 258 O ASN A 19 2.298 22.218 1.741 1.00 1.00 O ATOM 259 CB ASN A 19 4.579 24.041 3.420 1.00 1.00 C ATOM 260 CG ASN A 19 3.213 24.553 3.869 1.00 1.00 C ATOM 261 OD1 ASN A 19 2.668 24.082 4.860 1.00 1.00 O ATOM 262 ND2 ASN A 19 2.642 25.506 3.137 1.00 1.00 N ATOM 0 H ASN A 19 6.487 22.904 2.448 1.00 1.00 H new ATOM 0 HA ASN A 19 4.113 21.939 3.413 1.00 1.00 H new ATOM 0 HB2 ASN A 19 5.234 23.931 4.284 1.00 1.00 H new ATOM 0 HB3 ASN A 19 5.046 24.768 2.756 1.00 1.00 H new ATOM 0 HD21 ASN A 19 1.723 25.866 3.395 1.00 1.00 H new ATOM 0 HD22 ASN A 19 3.123 25.877 2.317 1.00 1.00 H new ATOM 269 N ALA A 20 3.680 23.514 0.533 1.00 1.00 N ATOM 270 CA ALA A 20 2.736 23.691 -0.558 1.00 1.00 C ATOM 271 C ALA A 20 2.433 22.342 -1.202 1.00 1.00 C ATOM 272 O ALA A 20 1.265 21.997 -1.364 1.00 1.00 O ATOM 273 CB ALA A 20 3.269 24.692 -1.583 1.00 1.00 C ATOM 0 H ALA A 20 4.572 23.989 0.399 1.00 1.00 H new ATOM 0 HA ALA A 20 1.807 24.099 -0.160 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.545 24.807 -2.390 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.431 25.656 -1.100 1.00 1.00 H new ATOM 0 HB3 ALA A 20 4.212 24.328 -1.991 1.00 1.00 H new ATOM 279 N CYS A 21 3.473 21.574 -1.554 1.00 1.00 N ATOM 280 CA CYS A 21 3.293 20.253 -2.152 1.00 1.00 C ATOM 281 C CYS A 21 2.376 19.384 -1.287 1.00 1.00 C ATOM 282 O CYS A 21 1.358 18.871 -1.756 1.00 1.00 O ATOM 283 CB CYS A 21 4.643 19.558 -2.350 1.00 1.00 C ATOM 284 SG CYS A 21 4.490 17.773 -2.609 1.00 1.00 S ATOM 0 H CYS A 21 4.448 21.849 -1.433 1.00 1.00 H new ATOM 0 HA CYS A 21 2.825 20.388 -3.127 1.00 1.00 H new ATOM 0 HB2 CYS A 21 5.151 20.001 -3.206 1.00 1.00 H new ATOM 0 HB3 CYS A 21 5.270 19.740 -1.478 1.00 1.00 H new ATOM 289 N LYS A 22 2.749 19.244 -0.012 1.00 1.00 N ATOM 290 CA LYS A 22 2.002 18.533 1.010 1.00 1.00 C ATOM 291 C LYS A 22 0.543 18.967 0.981 1.00 1.00 C ATOM 292 O LYS A 22 -0.350 18.149 0.754 1.00 1.00 O ATOM 293 CB LYS A 22 2.641 18.846 2.372 1.00 1.00 C ATOM 294 CG LYS A 22 1.902 18.213 3.561 1.00 1.00 C ATOM 295 CD LYS A 22 2.444 18.668 4.929 1.00 1.00 C ATOM 296 CE LYS A 22 3.955 18.949 4.997 1.00 1.00 C ATOM 297 NZ LYS A 22 4.791 17.783 4.654 1.00 1.00 N ATOM 0 H LYS A 22 3.618 19.643 0.344 1.00 1.00 H new ATOM 0 HA LYS A 22 2.033 17.458 0.831 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.673 18.495 2.368 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.672 19.927 2.509 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.843 18.463 3.496 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.978 17.128 3.491 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.913 19.573 5.225 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.204 17.902 5.666 1.00 1.00 H new ATOM 0 HE2 LYS A 22 4.194 19.768 4.319 1.00 1.00 H new ATOM 0 HE3 LYS A 22 4.209 19.283 6.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 5.653 18.104 4.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 5.052 17.275 5.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.258 17.146 4.028 1.00 1.00 H new ATOM 311 N ASN A 23 0.324 20.257 1.258 1.00 1.00 N ATOM 312 CA ASN A 23 -0.998 20.826 1.398 1.00 1.00 C ATOM 313 C ASN A 23 -1.792 20.494 0.147 1.00 1.00 C ATOM 314 O ASN A 23 -2.768 19.758 0.221 1.00 1.00 O ATOM 315 CB ASN A 23 -0.907 22.344 1.621 1.00 1.00 C ATOM 316 CG ASN A 23 -2.267 23.041 1.754 1.00 1.00 C ATOM 317 OD1 ASN A 23 -3.233 22.746 1.052 1.00 1.00 O ATOM 318 ND2 ASN A 23 -2.351 24.011 2.658 1.00 1.00 N ATOM 0 H ASN A 23 1.076 20.933 1.391 1.00 1.00 H new ATOM 0 HA ASN A 23 -1.503 20.405 2.267 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -0.324 22.534 2.522 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -0.362 22.790 0.789 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -3.225 24.523 2.777 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -1.541 24.244 3.233 1.00 1.00 H new ATOM 325 N GLN A 24 -1.337 20.986 -1.007 1.00 1.00 N ATOM 326 CA GLN A 24 -2.026 20.781 -2.265 1.00 1.00 C ATOM 327 C GLN A 24 -2.347 19.308 -2.481 1.00 1.00 C ATOM 328 O GLN A 24 -3.468 18.998 -2.878 1.00 1.00 O ATOM 329 CB GLN A 24 -1.228 21.367 -3.431 1.00 1.00 C ATOM 330 CG GLN A 24 -1.291 22.902 -3.394 1.00 1.00 C ATOM 331 CD GLN A 24 -0.519 23.563 -4.531 1.00 1.00 C ATOM 332 OE1 GLN A 24 0.127 24.586 -4.333 1.00 1.00 O ATOM 333 NE2 GLN A 24 -0.576 22.997 -5.734 1.00 1.00 N ATOM 0 H GLN A 24 -0.481 21.536 -1.087 1.00 1.00 H new ATOM 0 HA GLN A 24 -2.975 21.315 -2.222 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -0.191 21.036 -3.375 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -1.629 21.001 -4.376 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.333 23.218 -3.440 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -0.893 23.253 -2.442 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -1.121 22.146 -5.872 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -0.075 23.414 -6.518 1.00 1.00 H new ATOM 342 N CYS A 25 -1.417 18.391 -2.191 1.00 1.00 N ATOM 343 CA CYS A 25 -1.752 16.984 -2.330 1.00 1.00 C ATOM 344 C CYS A 25 -2.969 16.608 -1.486 1.00 1.00 C ATOM 345 O CYS A 25 -3.998 16.211 -2.038 1.00 1.00 O ATOM 346 CB CYS A 25 -0.615 16.029 -1.997 1.00 1.00 C ATOM 347 SG CYS A 25 -1.217 14.348 -2.282 1.00 1.00 S ATOM 0 H CYS A 25 -0.469 18.591 -1.873 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.974 16.868 -3.391 1.00 1.00 H new ATOM 0 HB2 CYS A 25 0.255 16.236 -2.621 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.301 16.153 -0.961 1.00 1.00 H new ATOM 352 N ILE A 26 -2.837 16.715 -0.160 1.00 1.00 N ATOM 353 CA ILE A 26 -3.829 16.204 0.790 1.00 1.00 C ATOM 354 C ILE A 26 -5.115 17.046 0.772 1.00 1.00 C ATOM 355 O ILE A 26 -6.164 16.633 1.275 1.00 1.00 O ATOM 356 CB ILE A 26 -3.209 16.086 2.197 1.00 1.00 C ATOM 357 CG1 ILE A 26 -3.047 17.450 2.888 1.00 1.00 C ATOM 358 CG2 ILE A 26 -1.869 15.337 2.116 1.00 1.00 C ATOM 359 CD1 ILE A 26 -2.400 17.361 4.275 1.00 1.00 C ATOM 0 H ILE A 26 -2.035 17.161 0.286 1.00 1.00 H new ATOM 0 HA ILE A 26 -4.125 15.202 0.481 1.00 1.00 H new ATOM 0 HB ILE A 26 -3.900 15.514 2.816 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.442 18.099 2.255 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -4.026 17.919 2.982 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -1.436 15.257 3.113 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -2.034 14.339 1.711 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -1.185 15.884 1.466 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -2.317 18.360 4.703 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -3.015 16.738 4.924 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.407 16.921 4.186 1.00 1.00 H new ATOM 371 N ASN A 27 -5.026 18.235 0.177 1.00 1.00 N ATOM 372 CA ASN A 27 -6.116 19.167 -0.020 1.00 1.00 C ATOM 373 C ASN A 27 -6.899 18.762 -1.269 1.00 1.00 C ATOM 374 O ASN A 27 -8.070 18.398 -1.157 1.00 1.00 O ATOM 375 CB ASN A 27 -5.504 20.568 -0.100 1.00 1.00 C ATOM 376 CG ASN A 27 -6.496 21.715 -0.158 1.00 1.00 C ATOM 377 OD1 ASN A 27 -7.665 21.539 -0.479 1.00 1.00 O ATOM 378 ND2 ASN A 27 -6.009 22.911 0.163 1.00 1.00 N ATOM 0 H ASN A 27 -4.143 18.584 -0.197 1.00 1.00 H new ATOM 0 HA ASN A 27 -6.833 19.160 0.801 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -4.859 20.713 0.766 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -4.867 20.617 -0.983 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -6.617 23.730 0.148 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -5.028 23.009 0.424 1.00 1.00 H new ATOM 385 N LEU A 28 -6.257 18.750 -2.442 1.00 1.00 N ATOM 386 CA LEU A 28 -6.928 18.462 -3.705 1.00 1.00 C ATOM 387 C LEU A 28 -7.333 16.987 -3.802 1.00 1.00 C ATOM 388 O LEU A 28 -8.455 16.696 -4.206 1.00 1.00 O ATOM 389 CB LEU A 28 -6.053 18.878 -4.895 1.00 1.00 C ATOM 390 CG LEU A 28 -6.145 20.371 -5.257 1.00 1.00 C ATOM 391 CD1 LEU A 28 -5.775 21.312 -4.104 1.00 1.00 C ATOM 392 CD2 LEU A 28 -5.221 20.648 -6.448 1.00 1.00 C ATOM 0 H LEU A 28 -5.259 18.940 -2.538 1.00 1.00 H new ATOM 0 HA LEU A 28 -7.844 19.052 -3.737 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -5.015 18.634 -4.670 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -6.338 18.287 -5.765 1.00 1.00 H new ATOM 0 HG LEU A 28 -7.188 20.574 -5.499 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -5.864 22.346 -4.436 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -6.449 21.141 -3.264 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -4.749 21.118 -3.791 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.277 21.703 -6.714 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -4.195 20.396 -6.179 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -5.532 20.042 -7.299 1.00 1.00 H new ATOM 404 N GLU A 29 -6.440 16.055 -3.437 1.00 1.00 N ATOM 405 CA GLU A 29 -6.804 14.647 -3.281 1.00 1.00 C ATOM 406 C GLU A 29 -6.855 14.361 -1.781 1.00 1.00 C ATOM 407 O GLU A 29 -6.621 15.262 -0.984 1.00 1.00 O ATOM 408 CB GLU A 29 -5.922 13.693 -4.116 1.00 1.00 C ATOM 409 CG GLU A 29 -4.431 13.567 -3.765 1.00 1.00 C ATOM 410 CD GLU A 29 -3.522 14.344 -4.716 1.00 1.00 C ATOM 411 OE1 GLU A 29 -2.736 13.736 -5.445 1.00 1.00 O ATOM 412 OE2 GLU A 29 -3.624 15.697 -4.680 1.00 1.00 O ATOM 0 H GLU A 29 -5.459 16.256 -3.245 1.00 1.00 H new ATOM 0 HA GLU A 29 -7.790 14.449 -3.700 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -6.361 12.697 -4.053 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -5.991 14.007 -5.158 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.272 13.924 -2.748 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -4.148 12.514 -3.781 1.00 1.00 H new ATOM 420 N LYS A 30 -7.234 13.154 -1.364 1.00 1.00 N ATOM 421 CA LYS A 30 -7.530 12.848 0.037 1.00 1.00 C ATOM 422 C LYS A 30 -6.378 12.160 0.777 1.00 1.00 C ATOM 423 O LYS A 30 -6.598 11.602 1.853 1.00 1.00 O ATOM 424 CB LYS A 30 -8.862 12.099 0.134 1.00 1.00 C ATOM 425 CG LYS A 30 -10.040 12.944 -0.380 1.00 1.00 C ATOM 426 CD LYS A 30 -10.284 14.244 0.418 1.00 1.00 C ATOM 427 CE LYS A 30 -9.820 15.545 -0.279 1.00 1.00 C ATOM 428 NZ LYS A 30 -8.730 16.266 0.420 1.00 1.00 N ATOM 0 H LYS A 30 -7.345 12.357 -1.990 1.00 1.00 H new ATOM 0 HA LYS A 30 -7.639 13.793 0.569 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.801 11.175 -0.442 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -9.044 11.817 1.171 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -9.860 13.200 -1.424 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -10.946 12.339 -0.352 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -11.350 14.326 0.631 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -9.773 14.163 1.377 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -9.488 15.302 -1.288 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -10.675 16.214 -0.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -8.720 17.260 0.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.887 16.221 1.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.817 15.824 0.189 1.00 1.00 H new ATOM 442 N ALA A 31 -5.179 12.147 0.186 1.00 1.00 N ATOM 443 CA ALA A 31 -3.961 11.577 0.755 1.00 1.00 C ATOM 444 C ALA A 31 -3.692 11.978 2.212 1.00 1.00 C ATOM 445 O ALA A 31 -4.274 12.933 2.720 1.00 1.00 O ATOM 446 CB ALA A 31 -2.780 12.024 -0.102 1.00 1.00 C ATOM 0 H ALA A 31 -5.028 12.550 -0.739 1.00 1.00 H new ATOM 0 HA ALA A 31 -4.093 10.495 0.757 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.858 11.609 0.305 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -2.917 11.670 -1.124 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.720 13.112 -0.100 1.00 1.00 H new ATOM 452 N ARG A 32 -2.798 11.237 2.880 1.00 1.00 N ATOM 453 CA ARG A 32 -2.442 11.463 4.276 1.00 1.00 C ATOM 454 C ARG A 32 -1.300 12.472 4.401 1.00 1.00 C ATOM 455 O ARG A 32 -1.540 13.566 4.905 1.00 1.00 O ATOM 456 CB ARG A 32 -2.097 10.138 4.984 1.00 1.00 C ATOM 457 CG ARG A 32 -3.204 9.067 4.999 1.00 1.00 C ATOM 458 CD ARG A 32 -4.317 9.276 6.044 1.00 1.00 C ATOM 459 NE ARG A 32 -5.095 10.509 5.845 1.00 1.00 N ATOM 460 CZ ARG A 32 -5.808 10.805 4.748 1.00 1.00 C ATOM 461 NH1 ARG A 32 -6.062 9.865 3.836 1.00 1.00 N ATOM 462 NH2 ARG A 32 -6.237 12.050 4.536 1.00 1.00 N ATOM 0 H ARG A 32 -2.299 10.455 2.455 1.00 1.00 H new ATOM 0 HA ARG A 32 -3.313 11.888 4.775 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -1.215 9.713 4.505 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -1.823 10.362 6.015 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -3.661 9.028 4.010 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -2.743 8.095 5.175 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -4.994 8.422 6.016 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -3.870 9.296 7.038 1.00 1.00 H new ATOM 0 HE ARG A 32 -5.092 11.193 6.602 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -5.714 8.916 3.971 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -6.605 10.095 3.004 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -6.023 12.785 5.210 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -6.779 12.267 3.699 1.00 1.00 H new ATOM 476 N HIS A 33 -0.060 12.096 4.056 1.00 1.00 N ATOM 477 CA HIS A 33 1.061 13.034 4.001 1.00 1.00 C ATOM 478 C HIS A 33 1.490 13.322 2.561 1.00 1.00 C ATOM 479 O HIS A 33 1.100 12.629 1.623 1.00 1.00 O ATOM 480 CB HIS A 33 2.198 12.621 4.951 1.00 1.00 C ATOM 481 CG HIS A 33 2.738 11.219 4.830 1.00 1.00 C ATOM 482 ND1 HIS A 33 1.952 10.095 5.032 1.00 1.00 N ATOM 483 CD2 HIS A 33 4.018 10.739 4.682 1.00 1.00 C ATOM 484 CE1 HIS A 33 2.755 9.023 4.957 1.00 1.00 C ATOM 485 NE2 HIS A 33 4.032 9.349 4.747 1.00 1.00 N ATOM 0 H HIS A 33 0.189 11.138 3.809 1.00 1.00 H new ATOM 0 HA HIS A 33 0.723 13.997 4.383 1.00 1.00 H new ATOM 0 HB2 HIS A 33 3.027 13.313 4.803 1.00 1.00 H new ATOM 0 HB3 HIS A 33 1.847 12.758 5.974 1.00 1.00 H new ATOM 0 HD2 HIS A 33 4.892 11.356 4.535 1.00 1.00 H new ATOM 0 HE1 HIS A 33 2.406 8.006 5.056 1.00 1.00 H new ATOM 0 HE2 HIS A 33 4.833 8.724 4.655 1.00 1.00 H new ATOM 493 N GLY A 34 2.327 14.346 2.392 1.00 1.00 N ATOM 494 CA GLY A 34 2.967 14.692 1.137 1.00 1.00 C ATOM 495 C GLY A 34 4.204 15.519 1.457 1.00 1.00 C ATOM 496 O GLY A 34 4.299 16.042 2.574 1.00 1.00 O ATOM 0 H GLY A 34 2.582 14.974 3.154 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.241 13.792 0.587 1.00 1.00 H new ATOM 0 HA3 GLY A 34 2.284 15.257 0.503 1.00 1.00 H new ATOM 500 N SER A 35 5.171 15.602 0.538 1.00 1.00 N ATOM 501 CA SER A 35 6.407 16.341 0.759 1.00 1.00 C ATOM 502 C SER A 35 7.161 16.542 -0.550 1.00 1.00 C ATOM 503 O SER A 35 7.157 15.700 -1.444 1.00 1.00 O ATOM 504 CB SER A 35 7.304 15.591 1.755 1.00 1.00 C ATOM 505 OG SER A 35 6.932 15.949 3.073 1.00 1.00 O ATOM 0 H SER A 35 5.114 15.157 -0.378 1.00 1.00 H new ATOM 0 HA SER A 35 6.147 17.317 1.168 1.00 1.00 H new ATOM 0 HB2 SER A 35 7.204 14.515 1.615 1.00 1.00 H new ATOM 0 HB3 SER A 35 8.351 15.839 1.579 1.00 1.00 H new ATOM 0 HG SER A 35 5.957 16.028 3.128 1.00 1.00 H new ATOM 511 N CYS A 36 7.874 17.663 -0.617 1.00 1.00 N ATOM 512 CA CYS A 36 8.756 17.998 -1.718 1.00 1.00 C ATOM 513 C CYS A 36 10.048 17.201 -1.557 1.00 1.00 C ATOM 514 O CYS A 36 11.104 17.750 -1.246 1.00 1.00 O ATOM 515 CB CYS A 36 8.989 19.509 -1.706 1.00 1.00 C ATOM 516 SG CYS A 36 10.070 20.143 -2.993 1.00 1.00 S ATOM 0 H CYS A 36 7.850 18.376 0.112 1.00 1.00 H new ATOM 0 HA CYS A 36 8.324 17.738 -2.684 1.00 1.00 H new ATOM 0 HB2 CYS A 36 8.023 20.007 -1.791 1.00 1.00 H new ATOM 0 HB3 CYS A 36 9.407 19.786 -0.738 1.00 1.00 H new ATOM 521 N ASN A 37 9.942 15.876 -1.675 1.00 1.00 N ATOM 522 CA ASN A 37 11.070 14.987 -1.446 1.00 1.00 C ATOM 523 C ASN A 37 12.132 15.237 -2.512 1.00 1.00 C ATOM 524 O ASN A 37 11.794 15.574 -3.650 1.00 1.00 O ATOM 525 CB ASN A 37 10.612 13.525 -1.463 1.00 1.00 C ATOM 526 CG ASN A 37 11.604 12.615 -0.743 1.00 1.00 C ATOM 527 OD1 ASN A 37 11.416 12.303 0.427 1.00 1.00 O ATOM 528 ND2 ASN A 37 12.681 12.188 -1.397 1.00 1.00 N ATOM 0 H ASN A 37 9.078 15.398 -1.930 1.00 1.00 H new ATOM 0 HA ASN A 37 11.498 15.190 -0.464 1.00 1.00 H new ATOM 0 HB2 ASN A 37 9.634 13.444 -0.989 1.00 1.00 H new ATOM 0 HB3 ASN A 37 10.495 13.192 -2.494 1.00 1.00 H new ATOM 0 HD21 ASN A 37 13.362 11.594 -0.925 1.00 1.00 H new ATOM 0 HD22 ASN A 37 12.826 12.455 -2.371 1.00 1.00 H new ATOM 535 N TYR A 38 13.411 15.070 -2.162 1.00 1.00 N ATOM 536 CA TYR A 38 14.451 15.121 -3.172 1.00 1.00 C ATOM 537 C TYR A 38 14.243 13.962 -4.142 1.00 1.00 C ATOM 538 O TYR A 38 14.076 12.819 -3.719 1.00 1.00 O ATOM 539 CB TYR A 38 15.870 15.090 -2.592 1.00 1.00 C ATOM 540 CG TYR A 38 16.905 15.204 -3.702 1.00 1.00 C ATOM 541 CD1 TYR A 38 17.127 16.459 -4.300 1.00 1.00 C ATOM 542 CD2 TYR A 38 17.359 14.042 -4.355 1.00 1.00 C ATOM 543 CE1 TYR A 38 17.709 16.546 -5.577 1.00 1.00 C ATOM 544 CE2 TYR A 38 17.935 14.129 -5.635 1.00 1.00 C ATOM 545 CZ TYR A 38 18.072 15.377 -6.264 1.00 1.00 C ATOM 546 OH TYR A 38 18.545 15.443 -7.540 1.00 1.00 O ATOM 0 H TYR A 38 13.737 14.903 -1.210 1.00 1.00 H new ATOM 0 HA TYR A 38 14.366 16.078 -3.687 1.00 1.00 H new ATOM 0 HB2 TYR A 38 15.997 15.909 -1.883 1.00 1.00 H new ATOM 0 HB3 TYR A 38 16.022 14.163 -2.039 1.00 1.00 H new ATOM 0 HD1 TYR A 38 16.849 17.361 -3.775 1.00 1.00 H new ATOM 0 HD2 TYR A 38 17.265 13.081 -3.871 1.00 1.00 H new ATOM 0 HE1 TYR A 38 17.877 17.512 -6.029 1.00 1.00 H new ATOM 0 HE2 TYR A 38 18.273 13.234 -6.136 1.00 1.00 H new ATOM 0 HH TYR A 38 18.251 16.281 -7.955 1.00 1.00 H new ATOM 556 N VAL A 39 14.259 14.278 -5.432 1.00 1.00 N ATOM 557 CA VAL A 39 14.294 13.369 -6.558 1.00 1.00 C ATOM 558 C VAL A 39 14.990 14.193 -7.643 1.00 1.00 C ATOM 559 O VAL A 39 15.032 15.425 -7.538 1.00 1.00 O ATOM 560 CB VAL A 39 12.872 12.943 -6.989 1.00 1.00 C ATOM 561 CG1 VAL A 39 12.928 11.861 -8.080 1.00 1.00 C ATOM 562 CG2 VAL A 39 12.031 12.382 -5.834 1.00 1.00 C ATOM 0 H VAL A 39 14.247 15.252 -5.734 1.00 1.00 H new ATOM 0 HA VAL A 39 14.808 12.433 -6.337 1.00 1.00 H new ATOM 0 HB VAL A 39 12.403 13.855 -7.359 1.00 1.00 H new ATOM 0 HG11 VAL A 39 11.914 11.579 -8.365 1.00 1.00 H new ATOM 0 HG12 VAL A 39 13.455 12.250 -8.951 1.00 1.00 H new ATOM 0 HG13 VAL A 39 13.454 10.986 -7.698 1.00 1.00 H new ATOM 0 HG21 VAL A 39 11.045 12.102 -6.204 1.00 1.00 H new ATOM 0 HG22 VAL A 39 12.525 11.504 -5.417 1.00 1.00 H new ATOM 0 HG23 VAL A 39 11.925 13.141 -5.059 1.00 1.00 H new ATOM 572 N PHE A 40 15.527 13.550 -8.680 1.00 1.00 N ATOM 573 CA PHE A 40 16.018 14.295 -9.829 1.00 1.00 C ATOM 574 C PHE A 40 14.861 15.125 -10.411 1.00 1.00 C ATOM 575 O PHE A 40 13.715 14.671 -10.361 1.00 1.00 O ATOM 576 CB PHE A 40 16.602 13.341 -10.883 1.00 1.00 C ATOM 577 CG PHE A 40 15.579 12.720 -11.823 1.00 1.00 C ATOM 578 CD1 PHE A 40 14.942 11.510 -11.491 1.00 1.00 C ATOM 579 CD2 PHE A 40 15.275 13.359 -13.041 1.00 1.00 C ATOM 580 CE1 PHE A 40 14.029 10.928 -12.387 1.00 1.00 C ATOM 581 CE2 PHE A 40 14.357 12.780 -13.934 1.00 1.00 C ATOM 582 CZ PHE A 40 13.743 11.558 -13.613 1.00 1.00 C ATOM 0 H PHE A 40 15.630 12.537 -8.745 1.00 1.00 H new ATOM 0 HA PHE A 40 16.820 14.965 -9.519 1.00 1.00 H new ATOM 0 HB2 PHE A 40 17.336 13.885 -11.477 1.00 1.00 H new ATOM 0 HB3 PHE A 40 17.136 12.541 -10.371 1.00 1.00 H new ATOM 0 HD1 PHE A 40 15.155 11.029 -10.548 1.00 1.00 H new ATOM 0 HD2 PHE A 40 15.749 14.297 -13.290 1.00 1.00 H new ATOM 0 HE1 PHE A 40 13.546 9.996 -12.135 1.00 1.00 H new ATOM 0 HE2 PHE A 40 14.124 13.274 -14.866 1.00 1.00 H new ATOM 0 HZ PHE A 40 13.052 11.102 -14.306 1.00 1.00 H new ATOM 592 N PRO A 41 15.115 16.296 -11.008 1.00 1.00 N ATOM 593 CA PRO A 41 16.394 16.979 -11.030 1.00 1.00 C ATOM 594 C PRO A 41 16.639 17.668 -9.683 1.00 1.00 C ATOM 595 O PRO A 41 17.719 17.539 -9.109 1.00 1.00 O ATOM 596 CB PRO A 41 16.275 17.966 -12.193 1.00 1.00 C ATOM 597 CG PRO A 41 14.787 18.320 -12.237 1.00 1.00 C ATOM 598 CD PRO A 41 14.109 17.035 -11.756 1.00 1.00 C ATOM 0 HA PRO A 41 17.246 16.315 -11.173 1.00 1.00 H new ATOM 0 HB2 PRO A 41 16.890 18.851 -12.028 1.00 1.00 H new ATOM 0 HB3 PRO A 41 16.605 17.518 -13.130 1.00 1.00 H new ATOM 0 HG2 PRO A 41 14.555 19.165 -11.589 1.00 1.00 H new ATOM 0 HG3 PRO A 41 14.467 18.592 -13.243 1.00 1.00 H new ATOM 0 HD2 PRO A 41 13.247 17.262 -11.129 1.00 1.00 H new ATOM 0 HD3 PRO A 41 13.744 16.449 -12.600 1.00 1.00 H new ATOM 606 N ALA A 42 15.627 18.376 -9.173 1.00 1.00 N ATOM 607 CA ALA A 42 15.724 19.209 -7.985 1.00 1.00 C ATOM 608 C ALA A 42 14.416 19.135 -7.210 1.00 1.00 C ATOM 609 O ALA A 42 13.696 20.125 -7.107 1.00 1.00 O ATOM 610 CB ALA A 42 16.051 20.649 -8.387 1.00 1.00 C ATOM 0 H ALA A 42 14.696 18.381 -9.590 1.00 1.00 H new ATOM 0 HA ALA A 42 16.527 18.849 -7.342 1.00 1.00 H new ATOM 0 HB1 ALA A 42 16.123 21.269 -7.493 1.00 1.00 H new ATOM 0 HB2 ALA A 42 17.001 20.671 -8.921 1.00 1.00 H new ATOM 0 HB3 ALA A 42 15.263 21.034 -9.034 1.00 1.00 H new ATOM 616 N HIS A 43 14.132 17.950 -6.664 1.00 1.00 N ATOM 617 CA HIS A 43 12.928 17.639 -5.907 1.00 1.00 C ATOM 618 C HIS A 43 11.722 17.458 -6.829 1.00 1.00 C ATOM 619 O HIS A 43 11.685 17.991 -7.937 1.00 1.00 O ATOM 620 CB HIS A 43 12.631 18.661 -4.796 1.00 1.00 C ATOM 621 CG HIS A 43 13.719 18.857 -3.773 1.00 1.00 C ATOM 622 ND1 HIS A 43 13.540 18.517 -2.441 1.00 1.00 N ATOM 623 CD2 HIS A 43 14.968 19.426 -3.834 1.00 1.00 C ATOM 624 CE1 HIS A 43 14.669 18.834 -1.789 1.00 1.00 C ATOM 625 NE2 HIS A 43 15.582 19.395 -2.584 1.00 1.00 N ATOM 0 H HIS A 43 14.763 17.153 -6.743 1.00 1.00 H new ATOM 0 HA HIS A 43 13.121 16.690 -5.406 1.00 1.00 H new ATOM 0 HB2 HIS A 43 12.420 19.624 -5.262 1.00 1.00 H new ATOM 0 HB3 HIS A 43 11.723 18.351 -4.278 1.00 1.00 H new ATOM 0 HD1 HIS A 43 12.703 18.102 -2.032 1.00 1.00 H new ATOM 0 HD2 HIS A 43 15.412 19.840 -4.727 1.00 1.00 H new ATOM 0 HE1 HIS A 43 14.822 18.655 -0.735 1.00 1.00 H new ATOM 633 N LYS A 44 10.735 16.687 -6.367 1.00 1.00 N ATOM 634 CA LYS A 44 9.454 16.498 -7.036 1.00 1.00 C ATOM 635 C LYS A 44 8.370 16.436 -5.965 1.00 1.00 C ATOM 636 O LYS A 44 8.654 16.033 -4.836 1.00 1.00 O ATOM 637 CB LYS A 44 9.470 15.212 -7.877 1.00 1.00 C ATOM 638 CG LYS A 44 10.228 15.396 -9.198 1.00 1.00 C ATOM 639 CD LYS A 44 10.354 14.055 -9.932 1.00 1.00 C ATOM 640 CE LYS A 44 10.889 14.253 -11.365 1.00 1.00 C ATOM 641 NZ LYS A 44 11.915 13.254 -11.734 1.00 1.00 N ATOM 0 H LYS A 44 10.811 16.165 -5.494 1.00 1.00 H new ATOM 0 HA LYS A 44 9.256 17.326 -7.716 1.00 1.00 H new ATOM 0 HB2 LYS A 44 9.933 14.409 -7.303 1.00 1.00 H new ATOM 0 HB3 LYS A 44 8.446 14.904 -8.087 1.00 1.00 H new ATOM 0 HG2 LYS A 44 9.705 16.115 -9.828 1.00 1.00 H new ATOM 0 HG3 LYS A 44 11.219 15.806 -9.002 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.023 13.396 -9.379 1.00 1.00 H new ATOM 0 HD3 LYS A 44 9.381 13.564 -9.968 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.060 14.193 -12.070 1.00 1.00 H new ATOM 0 HE3 LYS A 44 11.313 15.253 -11.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 12.056 13.265 -12.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 12.811 13.485 -11.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.601 12.308 -11.438 1.00 1.00 H new ATOM 655 N CYS A 45 7.142 16.856 -6.291 1.00 1.00 N ATOM 656 CA CYS A 45 6.056 16.780 -5.319 1.00 1.00 C ATOM 657 C CYS A 45 5.599 15.331 -5.154 1.00 1.00 C ATOM 658 O CYS A 45 4.653 14.884 -5.804 1.00 1.00 O ATOM 659 CB CYS A 45 4.875 17.688 -5.671 1.00 1.00 C ATOM 660 SG CYS A 45 3.535 17.592 -4.453 1.00 1.00 S ATOM 0 H CYS A 45 6.883 17.242 -7.199 1.00 1.00 H new ATOM 0 HA CYS A 45 6.449 17.145 -4.370 1.00 1.00 H new ATOM 0 HB2 CYS A 45 5.223 18.719 -5.743 1.00 1.00 H new ATOM 0 HB3 CYS A 45 4.489 17.412 -6.653 1.00 1.00 H new ATOM 665 N ILE A 46 6.296 14.591 -4.292 1.00 1.00 N ATOM 666 CA ILE A 46 5.938 13.222 -3.972 1.00 1.00 C ATOM 667 C ILE A 46 4.873 13.253 -2.874 1.00 1.00 C ATOM 668 O ILE A 46 5.054 13.892 -1.833 1.00 1.00 O ATOM 669 CB ILE A 46 7.176 12.397 -3.581 1.00 1.00 C ATOM 670 CG1 ILE A 46 8.333 12.521 -4.593 1.00 1.00 C ATOM 671 CG2 ILE A 46 6.783 10.921 -3.438 1.00 1.00 C ATOM 672 CD1 ILE A 46 7.930 12.239 -6.045 1.00 1.00 C ATOM 0 H ILE A 46 7.123 14.929 -3.800 1.00 1.00 H new ATOM 0 HA ILE A 46 5.523 12.723 -4.848 1.00 1.00 H new ATOM 0 HB ILE A 46 7.536 12.797 -2.633 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.748 13.527 -4.532 1.00 1.00 H new ATOM 0 HG13 ILE A 46 9.127 11.831 -4.307 1.00 1.00 H new ATOM 0 HG21 ILE A 46 7.660 10.336 -3.161 1.00 1.00 H new ATOM 0 HG22 ILE A 46 6.021 10.821 -2.665 1.00 1.00 H new ATOM 0 HG23 ILE A 46 6.388 10.556 -4.386 1.00 1.00 H new ATOM 0 HD11 ILE A 46 8.801 12.348 -6.692 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.543 11.223 -6.124 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.159 12.946 -6.352 1.00 1.00 H new ATOM 684 N CYS A 47 3.746 12.581 -3.111 1.00 1.00 N ATOM 685 CA CYS A 47 2.695 12.448 -2.114 1.00 1.00 C ATOM 686 C CYS A 47 2.706 11.039 -1.534 1.00 1.00 C ATOM 687 O CYS A 47 3.099 10.109 -2.231 1.00 1.00 O ATOM 688 CB CYS A 47 1.348 12.839 -2.695 1.00 1.00 C ATOM 689 SG CYS A 47 0.174 13.136 -1.369 1.00 1.00 S ATOM 0 H CYS A 47 3.541 12.117 -3.996 1.00 1.00 H new ATOM 0 HA CYS A 47 2.884 13.137 -1.291 1.00 1.00 H new ATOM 0 HB2 CYS A 47 1.452 13.735 -3.307 1.00 1.00 H new ATOM 0 HB3 CYS A 47 0.980 12.047 -3.348 1.00 1.00 H new ATOM 694 N TYR A 48 2.330 10.872 -0.261 1.00 1.00 N ATOM 695 CA TYR A 48 2.510 9.620 0.461 1.00 1.00 C ATOM 696 C TYR A 48 1.200 9.225 1.150 1.00 1.00 C ATOM 697 O TYR A 48 0.804 9.814 2.162 1.00 1.00 O ATOM 698 CB TYR A 48 3.640 9.801 1.475 1.00 1.00 C ATOM 699 CG TYR A 48 5.006 10.084 0.873 1.00 1.00 C ATOM 700 CD1 TYR A 48 5.414 11.411 0.644 1.00 1.00 C ATOM 701 CD2 TYR A 48 5.892 9.028 0.590 1.00 1.00 C ATOM 702 CE1 TYR A 48 6.678 11.682 0.098 1.00 1.00 C ATOM 703 CE2 TYR A 48 7.176 9.301 0.086 1.00 1.00 C ATOM 704 CZ TYR A 48 7.565 10.628 -0.171 1.00 1.00 C ATOM 705 OH TYR A 48 8.796 10.899 -0.686 1.00 1.00 O ATOM 0 H TYR A 48 1.892 11.607 0.294 1.00 1.00 H new ATOM 0 HA TYR A 48 2.777 8.818 -0.227 1.00 1.00 H new ATOM 0 HB2 TYR A 48 3.378 10.620 2.145 1.00 1.00 H new ATOM 0 HB3 TYR A 48 3.708 8.900 2.085 1.00 1.00 H new ATOM 0 HD1 TYR A 48 4.750 12.226 0.890 1.00 1.00 H new ATOM 0 HD2 TYR A 48 5.585 8.007 0.760 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.968 12.700 -0.115 1.00 1.00 H new ATOM 0 HE2 TYR A 48 7.864 8.491 -0.104 1.00 1.00 H new ATOM 0 HH TYR A 48 9.350 11.329 -0.001 1.00 1.00 H new ATOM 715 N PHE A 49 0.513 8.225 0.591 1.00 1.00 N ATOM 716 CA PHE A 49 -0.756 7.719 1.097 1.00 1.00 C ATOM 717 C PHE A 49 -0.782 6.194 1.009 1.00 1.00 C ATOM 718 O PHE A 49 -0.176 5.653 0.087 1.00 1.00 O ATOM 719 CB PHE A 49 -1.924 8.309 0.304 1.00 1.00 C ATOM 720 CG PHE A 49 -1.687 8.510 -1.179 1.00 1.00 C ATOM 721 CD1 PHE A 49 -1.083 9.703 -1.606 1.00 1.00 C ATOM 722 CD2 PHE A 49 -2.238 7.629 -2.129 1.00 1.00 C ATOM 723 CE1 PHE A 49 -1.217 10.117 -2.934 1.00 1.00 C ATOM 724 CE2 PHE A 49 -2.248 7.991 -3.491 1.00 1.00 C ATOM 725 CZ PHE A 49 -1.768 9.254 -3.886 1.00 1.00 C ATOM 0 H PHE A 49 0.835 7.737 -0.245 1.00 1.00 H new ATOM 0 HA PHE A 49 -0.858 8.019 2.140 1.00 1.00 H new ATOM 0 HB2 PHE A 49 -2.788 7.656 0.428 1.00 1.00 H new ATOM 0 HB3 PHE A 49 -2.186 9.271 0.743 1.00 1.00 H new ATOM 0 HD1 PHE A 49 -0.515 10.301 -0.909 1.00 1.00 H new ATOM 0 HD2 PHE A 49 -2.651 6.681 -1.816 1.00 1.00 H new ATOM 0 HE1 PHE A 49 -0.894 11.106 -3.225 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -2.624 7.300 -4.231 1.00 1.00 H new ATOM 0 HZ PHE A 49 -1.825 9.555 -4.921 1.00 1.00 H new ATOM 735 N PRO A 50 -1.468 5.501 1.937 1.00 1.00 N ATOM 736 CA PRO A 50 -1.647 4.056 1.891 1.00 1.00 C ATOM 737 C PRO A 50 -2.209 3.616 0.540 1.00 1.00 C ATOM 738 O PRO A 50 -3.095 4.281 0.004 1.00 1.00 O ATOM 739 CB PRO A 50 -2.619 3.718 3.026 1.00 1.00 C ATOM 740 CG PRO A 50 -2.420 4.867 4.012 1.00 1.00 C ATOM 741 CD PRO A 50 -2.172 6.054 3.084 1.00 1.00 C ATOM 0 HA PRO A 50 -0.698 3.534 2.012 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -3.649 3.666 2.672 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -2.388 2.754 3.480 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -3.297 5.019 4.641 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -1.576 4.689 4.679 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -3.110 6.521 2.783 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -1.577 6.823 3.578 1.00 1.00 H new ATOM 749 N CYS A 51 -1.694 2.512 -0.009 1.00 1.00 N ATOM 750 CA CYS A 51 -2.148 2.001 -1.301 1.00 1.00 C ATOM 751 C CYS A 51 -1.990 0.484 -1.416 1.00 1.00 C ATOM 752 O CYS A 51 -2.874 -0.167 -1.963 1.00 1.00 O ATOM 753 CB CYS A 51 -1.422 2.728 -2.433 1.00 1.00 C ATOM 754 SG CYS A 51 0.219 2.099 -2.840 1.00 1.00 S ATOM 755 OXT CYS A 51 -0.871 -0.075 -0.879 1.00 0.00 O ATOM 0 H CYS A 51 -0.959 1.954 0.426 1.00 1.00 H new ATOM 0 HA CYS A 51 -3.216 2.201 -1.383 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -2.042 2.679 -3.328 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -1.331 3.781 -2.165 1.00 1.00 H new TER 760 CYS A 51