USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 81 LYS NZ :NH3+ -131:sc= -1.67! (180deg=-1.08!) USER MOD Set 1.2: A 90 MET CE :methyl -144:sc= -16.8! (180deg=-20.4!) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -10! C(o=-15!,f=-14!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -151:sc= -5.43! (180deg=-0.0661) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -147:sc= -0.114 (180deg=-0.845) USER MOD Set 3.2: A 25 ASN : amide:sc= 0 X(o=-0.11,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -0.285 (180deg=-1.48!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.354 USER MOD Single : A 18 ASN : amide:sc= -0.375 K(o=-0.38,f=0.32) USER MOD Single : A 19 GLN : amide:sc= -10.7! C(o=-11!,f=-6.2!) USER MOD Single : A 21 GLN : amide:sc= -3.48! K(o=-3.5!,f=-0.19) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 140:sc= -0.74 USER MOD Single : A 27 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.9) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -11:sc= 0.293 USER MOD Single : A 46 ASN : amide:sc= -6.29! C(o=-6.3!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.4!) USER MOD Single : A 51 THR OG1 : rot 80:sc= -3.8! USER MOD Single : A 54 THR OG1 : rot 115:sc= -2.69! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 129:sc= 0.193 USER MOD Single : A 66 HIS : no HD1:sc= -17.5! C(o=-17!,f=-25!) USER MOD Single : A 67 MET CE :methyl -175:sc= -2.47! (180deg=-2.59!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 72 SER OG : rot 10:sc= 0.825! USER MOD Single : A 73 SER OG : rot 175:sc= 0.444 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 174:sc= -9.05! (180deg=-9.17!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -152:sc= -1.09 (180deg=-1.76) USER MOD Single : A 92 SER OG : rot 90:sc= -4.71! USER MOD Single : A 94 THR OG1 : rot 12:sc= 0.771! USER MOD Single : A 99 ASN : amide:sc= -6.95! C(o=-6.9!,f=-14!) USER MOD Single : A 105 SER OG : rot -9:sc= 0.584! USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.472 -2.455 -3.242 1.00 0.00 N ATOM 78 CA LEU A 5 11.856 -2.990 -4.531 1.00 0.00 C ATOM 79 C LEU A 5 13.038 -2.207 -5.086 1.00 0.00 C ATOM 80 O LEU A 5 12.964 -0.990 -5.233 1.00 0.00 O ATOM 81 CB LEU A 5 10.668 -2.922 -5.486 1.00 0.00 C ATOM 82 CG LEU A 5 9.851 -4.205 -5.374 1.00 0.00 C ATOM 83 CD1 LEU A 5 8.470 -3.985 -5.987 1.00 0.00 C ATOM 84 CD2 LEU A 5 10.566 -5.329 -6.121 1.00 0.00 C ATOM 0 HA LEU A 5 12.156 -4.032 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.045 -2.060 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.018 -2.789 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 5 9.743 -4.477 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.886 -4.902 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.960 -3.182 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.577 -3.714 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.983 -6.247 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.674 -5.057 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.552 -5.487 -5.684 1.00 0.00 H new ATOM 96 N CYS A 6 14.130 -2.911 -5.393 1.00 0.00 N ATOM 97 CA CYS A 6 15.321 -2.282 -5.927 1.00 0.00 C ATOM 98 C CYS A 6 16.037 -3.246 -6.864 1.00 0.00 C ATOM 99 O CYS A 6 15.814 -4.453 -6.803 1.00 0.00 O ATOM 100 CB CYS A 6 16.235 -1.863 -4.779 1.00 0.00 C ATOM 101 SG CYS A 6 15.452 -1.950 -3.149 1.00 0.00 S ATOM 0 H CYS A 6 14.205 -3.922 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 6 15.044 -1.393 -6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.120 -2.500 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.577 -0.843 -4.953 1.00 0.00 H new ATOM 106 N LYS A 7 16.900 -2.710 -7.730 1.00 0.00 N ATOM 107 CA LYS A 7 17.641 -3.524 -8.671 1.00 0.00 C ATOM 108 C LYS A 7 18.653 -4.383 -7.927 1.00 0.00 C ATOM 109 O LYS A 7 19.160 -3.987 -6.880 1.00 0.00 O ATOM 110 CB LYS A 7 18.339 -2.621 -9.683 1.00 0.00 C ATOM 111 CG LYS A 7 17.779 -2.891 -11.077 1.00 0.00 C ATOM 112 CD LYS A 7 16.268 -2.673 -11.070 1.00 0.00 C ATOM 113 CE LYS A 7 15.966 -1.196 -11.302 1.00 0.00 C ATOM 114 NZ LYS A 7 16.533 -0.735 -12.579 1.00 0.00 N ATOM 0 H LYS A 7 17.097 -1.711 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 7 16.957 -4.184 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.190 -1.575 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.413 -2.804 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.249 -2.229 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.008 -3.912 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.799 -3.277 -11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.848 -2.996 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.888 -1.037 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.376 -0.605 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.917 -0.004 -12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.480 -0.338 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.604 -1.537 -13.237 1.00 0.00 H new ATOM 128 N PHE A 8 18.947 -5.566 -8.472 1.00 0.00 N ATOM 129 CA PHE A 8 19.897 -6.474 -7.859 1.00 0.00 C ATOM 130 C PHE A 8 20.821 -7.051 -8.922 1.00 0.00 C ATOM 131 O PHE A 8 20.536 -8.102 -9.490 1.00 0.00 O ATOM 132 CB PHE A 8 19.141 -7.585 -7.136 1.00 0.00 C ATOM 133 CG PHE A 8 19.953 -8.264 -6.058 1.00 0.00 C ATOM 134 CD1 PHE A 8 20.890 -9.245 -6.400 1.00 0.00 C ATOM 135 CD2 PHE A 8 19.769 -7.909 -4.717 1.00 0.00 C ATOM 136 CE1 PHE A 8 21.643 -9.872 -5.400 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.521 -8.535 -3.718 1.00 0.00 C ATOM 138 CZ PHE A 8 21.459 -9.517 -4.059 1.00 0.00 C ATOM 0 H PHE A 8 18.535 -5.911 -9.339 1.00 0.00 H new ATOM 0 HA PHE A 8 20.506 -5.935 -7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.237 -7.169 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 8 18.823 -8.331 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.032 -9.519 -7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.046 -7.151 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.366 -10.630 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.378 -8.261 -2.683 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.040 -10.000 -3.288 1.00 0.00 H new ATOM 148 N CYS A 9 21.930 -6.357 -9.190 1.00 0.00 N ATOM 149 CA CYS A 9 22.889 -6.803 -10.181 1.00 0.00 C ATOM 150 C CYS A 9 24.287 -6.805 -9.579 1.00 0.00 C ATOM 151 O CYS A 9 24.608 -5.962 -8.745 1.00 0.00 O ATOM 152 CB CYS A 9 22.826 -5.883 -11.397 1.00 0.00 C ATOM 153 SG CYS A 9 23.603 -4.268 -11.140 1.00 0.00 S ATOM 0 H CYS A 9 22.179 -5.482 -8.728 1.00 0.00 H new ATOM 0 HA CYS A 9 22.648 -7.818 -10.496 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.310 -6.378 -12.239 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.782 -5.733 -11.672 1.00 0.00 H new ATOM 158 N ASP A 10 25.120 -7.758 -10.003 1.00 0.00 N ATOM 159 CA ASP A 10 26.476 -7.867 -9.504 1.00 0.00 C ATOM 160 C ASP A 10 27.313 -6.710 -10.034 1.00 0.00 C ATOM 161 O ASP A 10 26.893 -6.007 -10.950 1.00 0.00 O ATOM 162 CB ASP A 10 27.070 -9.205 -9.933 1.00 0.00 C ATOM 163 CG ASP A 10 26.003 -10.291 -9.959 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.644 -10.759 -8.856 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.565 -10.631 -11.079 1.00 0.00 O ATOM 0 H ASP A 10 24.869 -8.465 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 10 26.473 -7.820 -8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.519 -9.108 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.868 -9.490 -9.247 1.00 0.00 H new ATOM 170 N VAL A 11 28.500 -6.516 -9.453 1.00 0.00 N ATOM 171 CA VAL A 11 29.387 -5.448 -9.868 1.00 0.00 C ATOM 172 C VAL A 11 30.104 -5.844 -11.151 1.00 0.00 C ATOM 173 O VAL A 11 30.916 -6.766 -11.153 1.00 0.00 O ATOM 174 CB VAL A 11 30.391 -5.161 -8.755 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.506 -6.382 -7.846 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.754 -4.851 -9.366 1.00 0.00 C ATOM 0 H VAL A 11 28.862 -7.091 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 11 28.810 -4.544 -10.061 1.00 0.00 H new ATOM 0 HB VAL A 11 30.052 -4.305 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.223 -6.177 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.532 -6.603 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.845 -7.239 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.471 -4.646 -8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.094 -5.706 -9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.672 -3.979 -10.014 1.00 0.00 H new ATOM 186 N LYS A 12 29.801 -5.143 -12.246 1.00 0.00 N ATOM 187 CA LYS A 12 30.417 -5.424 -13.528 1.00 0.00 C ATOM 188 C LYS A 12 30.808 -4.122 -14.212 1.00 0.00 C ATOM 189 O LYS A 12 30.304 -3.057 -13.862 1.00 0.00 O ATOM 190 CB LYS A 12 29.446 -6.221 -14.394 1.00 0.00 C ATOM 191 CG LYS A 12 28.024 -6.024 -13.875 1.00 0.00 C ATOM 192 CD LYS A 12 27.685 -4.537 -13.871 1.00 0.00 C ATOM 193 CE LYS A 12 26.266 -4.336 -14.396 1.00 0.00 C ATOM 194 NZ LYS A 12 26.149 -4.794 -15.790 1.00 0.00 N ATOM 0 H LYS A 12 29.129 -4.376 -12.262 1.00 0.00 H new ATOM 0 HA LYS A 12 31.320 -6.016 -13.379 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.515 -5.894 -15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.709 -7.279 -14.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.318 -6.567 -14.503 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.933 -6.431 -12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.770 -4.137 -12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 12 28.395 -3.990 -14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.562 -4.883 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.997 -3.282 -14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.460 -4.200 -16.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 27.075 -4.723 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.829 -5.783 -15.805 1.00 0.00 H new ATOM 208 N ALA A 13 31.709 -4.211 -15.192 1.00 0.00 N ATOM 209 CA ALA A 13 32.163 -3.043 -15.921 1.00 0.00 C ATOM 210 C ALA A 13 30.965 -2.255 -16.430 1.00 0.00 C ATOM 211 O ALA A 13 30.261 -2.702 -17.331 1.00 0.00 O ATOM 212 CB ALA A 13 33.053 -3.481 -17.080 1.00 0.00 C ATOM 0 H ALA A 13 32.135 -5.087 -15.494 1.00 0.00 H new ATOM 0 HA ALA A 13 32.742 -2.399 -15.259 1.00 0.00 H new ATOM 0 HB1 ALA A 13 33.395 -2.603 -17.628 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.915 -4.024 -16.692 1.00 0.00 H new ATOM 0 HB3 ALA A 13 32.487 -4.129 -17.749 1.00 0.00 H new ATOM 218 N THR A 14 30.734 -1.075 -15.848 1.00 0.00 N ATOM 219 CA THR A 14 29.623 -0.234 -16.247 1.00 0.00 C ATOM 220 C THR A 14 30.141 0.995 -16.982 1.00 0.00 C ATOM 221 O THR A 14 31.330 1.303 -16.925 1.00 0.00 O ATOM 222 CB THR A 14 28.825 0.172 -15.012 1.00 0.00 C ATOM 223 OG1 THR A 14 27.737 0.981 -15.401 1.00 0.00 O ATOM 224 CG2 THR A 14 29.724 0.953 -14.058 1.00 0.00 C ATOM 0 H THR A 14 31.308 -0.688 -15.099 1.00 0.00 H new ATOM 0 HA THR A 14 28.969 -0.786 -16.922 1.00 0.00 H new ATOM 0 HB THR A 14 28.453 -0.721 -14.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.223 1.241 -14.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.153 1.243 -13.176 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.565 0.328 -13.757 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.097 1.847 -14.559 1.00 0.00 H new ATOM 232 N THR A 15 29.242 1.699 -17.673 1.00 0.00 N ATOM 233 CA THR A 15 29.613 2.888 -18.413 1.00 0.00 C ATOM 234 C THR A 15 28.891 4.100 -17.841 1.00 0.00 C ATOM 235 O THR A 15 28.830 5.149 -18.478 1.00 0.00 O ATOM 236 CB THR A 15 29.264 2.698 -19.887 1.00 0.00 C ATOM 237 OG1 THR A 15 27.875 2.510 -20.021 1.00 0.00 O ATOM 238 CG2 THR A 15 30.000 1.476 -20.429 1.00 0.00 C ATOM 0 H THR A 15 28.252 1.459 -17.730 1.00 0.00 H new ATOM 0 HA THR A 15 30.687 3.055 -18.325 1.00 0.00 H new ATOM 0 HB THR A 15 29.565 3.582 -20.449 1.00 0.00 H new ATOM 0 HG1 THR A 15 27.651 2.390 -20.967 1.00 0.00 H new ATOM 0 HG21 THR A 15 29.752 1.339 -21.481 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.075 1.623 -20.326 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.700 0.592 -19.867 1.00 0.00 H new ATOM 246 N CYS A 16 28.342 3.952 -16.632 1.00 0.00 N ATOM 247 CA CYS A 16 27.628 5.030 -15.978 1.00 0.00 C ATOM 248 C CYS A 16 28.552 6.227 -15.804 1.00 0.00 C ATOM 249 O CYS A 16 29.758 6.064 -15.632 1.00 0.00 O ATOM 250 CB CYS A 16 27.108 4.549 -14.627 1.00 0.00 C ATOM 251 SG CYS A 16 25.610 5.399 -14.071 1.00 0.00 S ATOM 0 H CYS A 16 28.384 3.088 -16.092 1.00 0.00 H new ATOM 0 HA CYS A 16 26.780 5.335 -16.591 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.906 3.480 -14.687 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.889 4.684 -13.879 1.00 0.00 H new ATOM 256 N SER A 17 27.982 7.434 -15.852 1.00 0.00 N ATOM 257 CA SER A 17 28.756 8.650 -15.699 1.00 0.00 C ATOM 258 C SER A 17 28.473 9.274 -14.340 1.00 0.00 C ATOM 259 O SER A 17 27.320 9.377 -13.928 1.00 0.00 O ATOM 260 CB SER A 17 28.405 9.619 -16.824 1.00 0.00 C ATOM 261 OG SER A 17 27.536 10.615 -16.331 1.00 0.00 O ATOM 0 H SER A 17 26.984 7.586 -15.996 1.00 0.00 H new ATOM 0 HA SER A 17 29.820 8.419 -15.755 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.311 10.076 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.932 9.083 -17.646 1.00 0.00 H new ATOM 0 HG SER A 17 27.311 11.239 -17.052 1.00 0.00 H new ATOM 267 N ASN A 18 29.533 9.693 -13.643 1.00 0.00 N ATOM 268 CA ASN A 18 29.394 10.305 -12.337 1.00 0.00 C ATOM 269 C ASN A 18 28.677 11.641 -12.465 1.00 0.00 C ATOM 270 O ASN A 18 29.147 12.655 -11.953 1.00 0.00 O ATOM 271 CB ASN A 18 30.775 10.490 -11.714 1.00 0.00 C ATOM 272 CG ASN A 18 31.740 11.117 -12.710 1.00 0.00 C ATOM 273 OD1 ASN A 18 31.676 12.318 -12.966 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.636 10.302 -13.270 1.00 0.00 N ATOM 0 H ASN A 18 30.496 9.615 -13.971 1.00 0.00 H new ATOM 0 HA ASN A 18 28.801 9.659 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.698 11.122 -10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.162 9.526 -11.384 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.308 10.669 -13.944 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.649 9.312 -13.024 1.00 0.00 H new ATOM 281 N GLN A 19 27.531 11.640 -13.151 1.00 0.00 N ATOM 282 CA GLN A 19 26.754 12.848 -13.343 1.00 0.00 C ATOM 283 C GLN A 19 25.772 13.020 -12.193 1.00 0.00 C ATOM 284 O GLN A 19 25.549 12.091 -11.419 1.00 0.00 O ATOM 285 CB GLN A 19 26.017 12.770 -14.677 1.00 0.00 C ATOM 286 CG GLN A 19 25.161 14.020 -14.860 1.00 0.00 C ATOM 287 CD GLN A 19 25.909 15.263 -14.399 1.00 0.00 C ATOM 288 OE1 GLN A 19 27.085 15.434 -14.715 1.00 0.00 O ATOM 289 NE2 GLN A 19 25.225 16.130 -13.650 1.00 0.00 N ATOM 0 H GLN A 19 27.127 10.808 -13.581 1.00 0.00 H new ATOM 0 HA GLN A 19 27.417 13.713 -13.359 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.732 12.683 -15.495 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.390 11.879 -14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 19 24.884 14.126 -15.909 1.00 0.00 H new ATOM 0 HG3 GLN A 19 24.235 13.917 -14.294 1.00 0.00 H new ATOM 0 HE21 GLN A 19 24.250 15.943 -13.415 1.00 0.00 H new ATOM 0 HE22 GLN A 19 25.677 16.980 -13.313 1.00 0.00 H new ATOM 298 N ASP A 20 25.184 14.213 -12.082 1.00 0.00 N ATOM 299 CA ASP A 20 24.231 14.502 -11.029 1.00 0.00 C ATOM 300 C ASP A 20 23.260 13.339 -10.883 1.00 0.00 C ATOM 301 O ASP A 20 22.767 13.074 -9.789 1.00 0.00 O ATOM 302 CB ASP A 20 23.487 15.791 -11.357 1.00 0.00 C ATOM 303 CG ASP A 20 22.421 15.550 -12.417 1.00 0.00 C ATOM 304 OD1 ASP A 20 21.295 15.184 -12.016 1.00 0.00 O ATOM 305 OD2 ASP A 20 22.753 15.734 -13.607 1.00 0.00 O ATOM 0 H ASP A 20 25.358 14.993 -12.716 1.00 0.00 H new ATOM 0 HA ASP A 20 24.755 14.634 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 20 23.024 16.188 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 20 24.193 16.543 -11.710 1.00 0.00 H new ATOM 310 N GLN A 21 22.985 12.645 -11.989 1.00 0.00 N ATOM 311 CA GLN A 21 22.074 11.518 -11.977 1.00 0.00 C ATOM 312 C GLN A 21 22.599 10.420 -12.892 1.00 0.00 C ATOM 313 O GLN A 21 22.958 10.682 -14.038 1.00 0.00 O ATOM 314 CB GLN A 21 20.691 11.979 -12.426 1.00 0.00 C ATOM 315 CG GLN A 21 19.622 11.184 -11.681 1.00 0.00 C ATOM 316 CD GLN A 21 18.423 12.062 -11.352 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.934 12.794 -12.208 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.951 11.987 -10.105 1.00 0.00 N ATOM 0 H GLN A 21 23.386 12.851 -12.904 1.00 0.00 H new ATOM 0 HA GLN A 21 21.999 11.117 -10.966 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.570 13.044 -12.230 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.581 11.838 -13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.302 10.338 -12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.042 10.775 -10.762 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.392 11.363 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.149 12.554 -9.828 1.00 0.00 H new ATOM 327 N CYS A 22 22.642 9.187 -12.383 1.00 0.00 N ATOM 328 CA CYS A 22 23.120 8.056 -13.152 1.00 0.00 C ATOM 329 C CYS A 22 22.226 6.850 -12.906 1.00 0.00 C ATOM 330 O CYS A 22 21.411 6.856 -11.986 1.00 0.00 O ATOM 331 CB CYS A 22 24.563 7.749 -12.762 1.00 0.00 C ATOM 332 SG CYS A 22 25.606 7.231 -14.147 1.00 0.00 S ATOM 0 H CYS A 22 22.348 8.954 -11.435 1.00 0.00 H new ATOM 0 HA CYS A 22 23.089 8.295 -14.215 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.001 8.635 -12.303 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.565 6.964 -12.006 1.00 0.00 H new ATOM 337 N THR A 23 22.382 5.811 -13.729 1.00 0.00 N ATOM 338 CA THR A 23 21.588 4.606 -13.594 1.00 0.00 C ATOM 339 C THR A 23 22.483 3.438 -13.205 1.00 0.00 C ATOM 340 O THR A 23 23.688 3.468 -13.440 1.00 0.00 O ATOM 341 CB THR A 23 20.867 4.321 -14.908 1.00 0.00 C ATOM 342 OG1 THR A 23 20.116 5.453 -15.287 1.00 0.00 O ATOM 343 CG2 THR A 23 19.934 3.128 -14.729 1.00 0.00 C ATOM 0 H THR A 23 23.055 5.788 -14.495 1.00 0.00 H new ATOM 0 HA THR A 23 20.844 4.744 -12.810 1.00 0.00 H new ATOM 0 HB THR A 23 21.600 4.095 -15.683 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.654 5.271 -16.132 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.419 2.925 -15.668 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.514 2.253 -14.437 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.201 3.353 -13.954 1.00 0.00 H new ATOM 351 N SER A 24 21.886 2.404 -12.607 1.00 0.00 N ATOM 352 CA SER A 24 22.627 1.232 -12.190 1.00 0.00 C ATOM 353 C SER A 24 22.841 0.305 -13.379 1.00 0.00 C ATOM 354 O SER A 24 23.746 -0.526 -13.368 1.00 0.00 O ATOM 355 CB SER A 24 21.865 0.517 -11.078 1.00 0.00 C ATOM 356 OG SER A 24 20.568 0.198 -11.528 1.00 0.00 O ATOM 0 H SER A 24 20.887 2.364 -12.404 1.00 0.00 H new ATOM 0 HA SER A 24 23.603 1.532 -11.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.394 -0.390 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.809 1.152 -10.194 1.00 0.00 H new ATOM 0 HG SER A 24 20.321 -0.694 -11.207 1.00 0.00 H new ATOM 362 N ASN A 25 22.003 0.451 -14.407 1.00 0.00 N ATOM 363 CA ASN A 25 22.104 -0.371 -15.597 1.00 0.00 C ATOM 364 C ASN A 25 21.611 -1.778 -15.299 1.00 0.00 C ATOM 365 O ASN A 25 21.502 -2.607 -16.201 1.00 0.00 O ATOM 366 CB ASN A 25 23.554 -0.395 -16.073 1.00 0.00 C ATOM 367 CG ASN A 25 23.638 -0.818 -17.533 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.179 -0.098 -18.417 1.00 0.00 O ATOM 369 ND2 ASN A 25 24.230 -1.988 -17.784 1.00 0.00 N ATOM 0 H ASN A 25 21.247 1.135 -14.432 1.00 0.00 H new ATOM 0 HA ASN A 25 21.481 0.048 -16.387 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.998 0.593 -15.950 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.132 -1.083 -15.457 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.317 -2.320 -18.745 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.595 -2.550 -17.015 1.00 0.00 H new ATOM 376 N CYS A 26 21.312 -2.049 -14.026 1.00 0.00 N ATOM 377 CA CYS A 26 20.832 -3.353 -13.613 1.00 0.00 C ATOM 378 C CYS A 26 19.453 -3.604 -14.205 1.00 0.00 C ATOM 379 O CYS A 26 18.612 -2.708 -14.229 1.00 0.00 O ATOM 380 CB CYS A 26 20.788 -3.418 -12.089 1.00 0.00 C ATOM 381 SG CYS A 26 22.318 -2.882 -11.285 1.00 0.00 S ATOM 0 H CYS A 26 21.397 -1.373 -13.267 1.00 0.00 H new ATOM 0 HA CYS A 26 21.508 -4.127 -13.976 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.966 -2.797 -11.733 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.569 -4.442 -11.785 1.00 0.00 H new ATOM 386 N ASN A 27 19.220 -4.829 -14.681 1.00 0.00 N ATOM 387 CA ASN A 27 17.946 -5.191 -15.268 1.00 0.00 C ATOM 388 C ASN A 27 17.296 -6.303 -14.456 1.00 0.00 C ATOM 389 O ASN A 27 16.771 -7.260 -15.018 1.00 0.00 O ATOM 390 CB ASN A 27 18.159 -5.632 -16.713 1.00 0.00 C ATOM 391 CG ASN A 27 19.220 -6.719 -16.798 1.00 0.00 C ATOM 392 OD1 ASN A 27 20.400 -6.457 -16.574 1.00 0.00 O ATOM 393 ND2 ASN A 27 18.798 -7.943 -17.120 1.00 0.00 N ATOM 0 H ASN A 27 19.906 -5.584 -14.667 1.00 0.00 H new ATOM 0 HA ASN A 27 17.281 -4.327 -15.258 1.00 0.00 H new ATOM 0 HB2 ASN A 27 17.221 -6.001 -17.127 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.460 -4.777 -17.318 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.466 -8.711 -17.189 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.808 -8.111 -17.297 1.00 0.00 H new ATOM 400 N ILE A 28 17.335 -6.171 -13.128 1.00 0.00 N ATOM 401 CA ILE A 28 16.752 -7.160 -12.242 1.00 0.00 C ATOM 402 C ILE A 28 15.891 -6.468 -11.194 1.00 0.00 C ATOM 403 O ILE A 28 16.159 -5.327 -10.823 1.00 0.00 O ATOM 404 CB ILE A 28 17.863 -7.970 -11.583 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.633 -8.743 -12.651 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.254 -8.951 -10.586 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.538 -9.772 -11.980 1.00 0.00 C ATOM 0 H ILE A 28 17.768 -5.382 -12.649 1.00 0.00 H new ATOM 0 HA ILE A 28 16.118 -7.838 -12.813 1.00 0.00 H new ATOM 0 HB ILE A 28 18.543 -7.296 -11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 28 17.938 -9.240 -13.327 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.228 -8.057 -13.254 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.048 -9.530 -10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.705 -8.400 -9.823 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.574 -9.625 -11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.088 -10.324 -12.742 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.242 -9.263 -11.321 1.00 0.00 H new ATOM 0 HD13 ILE A 28 18.931 -10.465 -11.397 1.00 0.00 H new ATOM 419 N THR A 29 14.856 -7.161 -10.716 1.00 0.00 N ATOM 420 CA THR A 29 13.967 -6.609 -9.714 1.00 0.00 C ATOM 421 C THR A 29 13.947 -7.507 -8.486 1.00 0.00 C ATOM 422 O THR A 29 13.304 -8.554 -8.489 1.00 0.00 O ATOM 423 CB THR A 29 12.566 -6.465 -10.302 1.00 0.00 C ATOM 424 OG1 THR A 29 12.655 -5.925 -11.602 1.00 0.00 O ATOM 425 CG2 THR A 29 11.737 -5.536 -9.420 1.00 0.00 C ATOM 0 H THR A 29 14.619 -8.108 -11.013 1.00 0.00 H new ATOM 0 HA THR A 29 14.323 -5.624 -9.411 1.00 0.00 H new ATOM 0 HB THR A 29 12.089 -7.444 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.756 -5.834 -11.981 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.736 -5.433 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.668 -5.954 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.214 -4.557 -9.374 1.00 0.00 H new ATOM 433 N SER A 30 14.654 -7.092 -7.432 1.00 0.00 N ATOM 434 CA SER A 30 14.714 -7.858 -6.204 1.00 0.00 C ATOM 435 C SER A 30 13.738 -7.281 -5.188 1.00 0.00 C ATOM 436 O SER A 30 13.702 -6.072 -4.973 1.00 0.00 O ATOM 437 CB SER A 30 16.138 -7.832 -5.658 1.00 0.00 C ATOM 438 OG SER A 30 16.515 -6.500 -5.390 1.00 0.00 O ATOM 0 H SER A 30 15.192 -6.225 -7.414 1.00 0.00 H new ATOM 0 HA SER A 30 14.433 -8.892 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.201 -8.429 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.823 -8.277 -6.379 1.00 0.00 H new ATOM 0 HG SER A 30 15.853 -5.889 -5.775 1.00 0.00 H new ATOM 444 N ILE A 31 12.943 -8.153 -4.562 1.00 0.00 N ATOM 445 CA ILE A 31 11.972 -7.733 -3.572 1.00 0.00 C ATOM 446 C ILE A 31 12.553 -7.905 -2.176 1.00 0.00 C ATOM 447 O ILE A 31 12.832 -9.025 -1.752 1.00 0.00 O ATOM 448 CB ILE A 31 10.695 -8.551 -3.732 1.00 0.00 C ATOM 449 CG1 ILE A 31 10.582 -9.041 -5.173 1.00 0.00 C ATOM 450 CG2 ILE A 31 9.488 -7.681 -3.395 1.00 0.00 C ATOM 451 CD1 ILE A 31 11.285 -10.388 -5.309 1.00 0.00 C ATOM 0 H ILE A 31 12.960 -9.159 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 31 11.731 -6.680 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 31 10.725 -9.407 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.533 -9.136 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.030 -8.315 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.575 -8.265 -3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.568 -7.330 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.457 -6.825 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.204 -10.738 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 31 12.337 -10.278 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.817 -11.112 -4.642 1.00 0.00 H new ATOM 463 N CYS A 32 12.735 -6.794 -1.460 1.00 0.00 N ATOM 464 CA CYS A 32 13.281 -6.827 -0.118 1.00 0.00 C ATOM 465 C CYS A 32 12.148 -6.900 0.896 1.00 0.00 C ATOM 466 O CYS A 32 12.143 -6.161 1.879 1.00 0.00 O ATOM 467 CB CYS A 32 14.137 -5.585 0.114 1.00 0.00 C ATOM 468 SG CYS A 32 15.324 -5.253 -1.211 1.00 0.00 S ATOM 0 H CYS A 32 12.508 -5.858 -1.797 1.00 0.00 H new ATOM 0 HA CYS A 32 13.908 -7.710 0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.482 -4.721 0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.678 -5.699 1.053 1.00 0.00 H new ATOM 538 N GLU A 37 15.099 -4.438 4.815 1.00 0.00 N ATOM 539 CA GLU A 37 16.304 -4.123 4.073 1.00 0.00 C ATOM 540 C GLU A 37 16.074 -2.894 3.206 1.00 0.00 C ATOM 541 O GLU A 37 14.942 -2.444 3.048 1.00 0.00 O ATOM 542 CB GLU A 37 16.700 -5.323 3.217 1.00 0.00 C ATOM 543 CG GLU A 37 18.187 -5.611 3.401 1.00 0.00 C ATOM 544 CD GLU A 37 18.523 -7.032 2.970 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.331 -7.320 1.769 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.966 -7.802 3.849 1.00 0.00 O ATOM 0 HA GLU A 37 17.115 -3.903 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.112 -6.196 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.485 -5.121 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.774 -4.901 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.462 -5.469 4.446 1.00 0.00 H new ATOM 553 N VAL A 38 17.157 -2.352 2.641 1.00 0.00 N ATOM 554 CA VAL A 38 17.071 -1.180 1.793 1.00 0.00 C ATOM 555 C VAL A 38 17.880 -1.404 0.523 1.00 0.00 C ATOM 556 O VAL A 38 18.629 -2.373 0.425 1.00 0.00 O ATOM 557 CB VAL A 38 17.584 0.038 2.555 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.564 0.442 3.615 1.00 0.00 C ATOM 559 CG2 VAL A 38 18.909 -0.308 3.230 1.00 0.00 C ATOM 0 H VAL A 38 18.103 -2.715 2.762 1.00 0.00 H new ATOM 0 HA VAL A 38 16.033 -1.004 1.512 1.00 0.00 H new ATOM 0 HB VAL A 38 17.733 0.865 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.930 1.312 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.617 0.687 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.415 -0.384 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.277 0.561 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.759 -1.135 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.638 -0.598 2.473 1.00 0.00 H new ATOM 569 N CYS A 39 17.728 -0.502 -0.450 1.00 0.00 N ATOM 570 CA CYS A 39 18.443 -0.604 -1.706 1.00 0.00 C ATOM 571 C CYS A 39 19.759 0.153 -1.611 1.00 0.00 C ATOM 572 O CYS A 39 19.774 1.339 -1.285 1.00 0.00 O ATOM 573 CB CYS A 39 17.577 -0.044 -2.830 1.00 0.00 C ATOM 574 SG CYS A 39 15.798 -0.166 -2.519 1.00 0.00 S ATOM 0 H CYS A 39 17.111 0.308 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 39 18.662 -1.650 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.837 1.003 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.811 -0.573 -3.754 1.00 0.00 H new ATOM 579 N ALA A 40 20.867 -0.535 -1.896 1.00 0.00 N ATOM 580 CA ALA A 40 22.182 0.074 -1.839 1.00 0.00 C ATOM 581 C ALA A 40 22.925 -0.185 -3.141 1.00 0.00 C ATOM 582 O ALA A 40 23.093 -1.335 -3.545 1.00 0.00 O ATOM 583 CB ALA A 40 22.954 -0.494 -0.652 1.00 0.00 C ATOM 0 H ALA A 40 20.871 -1.518 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 40 22.084 1.152 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.943 -0.037 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.414 -0.279 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.058 -1.573 -0.768 1.00 0.00 H new ATOM 589 N ALA A 41 23.373 0.887 -3.798 1.00 0.00 N ATOM 590 CA ALA A 41 24.095 0.771 -5.050 1.00 0.00 C ATOM 591 C ALA A 41 25.364 1.608 -4.993 1.00 0.00 C ATOM 592 O ALA A 41 25.314 2.793 -4.668 1.00 0.00 O ATOM 593 CB ALA A 41 23.198 1.226 -6.197 1.00 0.00 C ATOM 0 H ALA A 41 23.244 1.846 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 41 24.377 -0.269 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.740 1.139 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.306 0.600 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.906 2.264 -6.041 1.00 0.00 H new ATOM 599 N VAL A 42 26.504 0.991 -5.310 1.00 0.00 N ATOM 600 CA VAL A 42 27.778 1.680 -5.293 1.00 0.00 C ATOM 601 C VAL A 42 28.396 1.654 -6.684 1.00 0.00 C ATOM 602 O VAL A 42 28.461 0.604 -7.317 1.00 0.00 O ATOM 603 CB VAL A 42 28.703 1.014 -4.278 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.802 -0.477 -4.582 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.091 1.645 -4.364 1.00 0.00 C ATOM 0 H VAL A 42 26.562 0.010 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 42 27.630 2.720 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 42 28.302 1.154 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.463 -0.953 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.811 -0.927 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.203 -0.618 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.752 1.170 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.493 1.505 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.020 2.711 -4.146 1.00 0.00 H new ATOM 615 N TRP A 43 28.851 2.817 -7.158 1.00 0.00 N ATOM 616 CA TRP A 43 29.461 2.917 -8.469 1.00 0.00 C ATOM 617 C TRP A 43 30.900 3.395 -8.335 1.00 0.00 C ATOM 618 O TRP A 43 31.151 4.491 -7.838 1.00 0.00 O ATOM 619 CB TRP A 43 28.650 3.878 -9.334 1.00 0.00 C ATOM 620 CG TRP A 43 29.219 4.135 -10.693 1.00 0.00 C ATOM 621 CD1 TRP A 43 28.822 3.527 -11.832 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.284 5.055 -11.083 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.562 4.005 -12.892 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.480 4.951 -12.485 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.103 5.967 -10.393 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.436 5.709 -13.169 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.065 6.731 -11.069 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.234 6.605 -12.453 1.00 0.00 C ATOM 0 H TRP A 43 28.804 3.698 -6.646 1.00 0.00 H new ATOM 0 HA TRP A 43 29.469 1.937 -8.946 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.642 3.479 -9.448 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.559 4.829 -8.808 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.044 2.781 -11.901 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.445 3.697 -13.858 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.989 6.081 -9.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 31.556 5.603 -14.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.682 7.424 -10.516 1.00 0.00 H new ATOM 0 HH2 TRP A 43 32.978 7.198 -12.965 1.00 0.00 H new ATOM 639 N ARG A 44 31.847 2.567 -8.782 1.00 0.00 N ATOM 640 CA ARG A 44 33.255 2.905 -8.711 1.00 0.00 C ATOM 641 C ARG A 44 33.827 3.026 -10.116 1.00 0.00 C ATOM 642 O ARG A 44 33.301 2.435 -11.057 1.00 0.00 O ATOM 643 CB ARG A 44 33.994 1.833 -7.917 1.00 0.00 C ATOM 644 CG ARG A 44 33.027 1.162 -6.945 1.00 0.00 C ATOM 645 CD ARG A 44 32.585 -0.183 -7.515 1.00 0.00 C ATOM 646 NE ARG A 44 33.706 -1.120 -7.580 1.00 0.00 N ATOM 647 CZ ARG A 44 33.697 -2.306 -6.956 1.00 0.00 C ATOM 648 NH1 ARG A 44 32.630 -2.677 -6.236 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.756 -3.122 -7.052 1.00 0.00 N ATOM 0 H ARG A 44 31.655 1.656 -9.197 1.00 0.00 H new ATOM 0 HA ARG A 44 33.379 3.863 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.419 1.092 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.825 2.278 -7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.508 1.019 -5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.160 1.801 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.792 -0.602 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.168 -0.040 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 44 34.529 -0.860 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.824 -2.057 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.624 -3.580 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 44 35.569 -2.840 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 44 34.749 -4.025 -6.577 1.00 0.00 H new ATOM 663 N ARG A 45 34.910 3.794 -10.256 1.00 0.00 N ATOM 664 CA ARG A 45 35.548 3.989 -11.542 1.00 0.00 C ATOM 665 C ARG A 45 37.060 4.011 -11.370 1.00 0.00 C ATOM 666 O ARG A 45 37.612 4.967 -10.828 1.00 0.00 O ATOM 667 CB ARG A 45 35.056 5.296 -12.161 1.00 0.00 C ATOM 668 CG ARG A 45 35.046 6.389 -11.096 1.00 0.00 C ATOM 669 CD ARG A 45 34.911 7.752 -11.769 1.00 0.00 C ATOM 670 NE ARG A 45 35.800 8.735 -11.148 1.00 0.00 N ATOM 671 CZ ARG A 45 36.863 9.253 -11.777 1.00 0.00 C ATOM 672 NH1 ARG A 45 37.150 8.876 -13.030 1.00 0.00 N ATOM 673 NH2 ARG A 45 37.640 10.150 -11.153 1.00 0.00 N ATOM 0 H ARG A 45 35.359 4.289 -9.485 1.00 0.00 H new ATOM 0 HA ARG A 45 35.289 3.166 -12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.703 5.585 -12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.055 5.163 -12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.219 6.230 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.964 6.350 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 45 35.146 7.663 -12.830 1.00 0.00 H new ATOM 0 HD3 ARG A 45 33.879 8.095 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 45 35.601 9.039 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 45 36.559 8.194 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 45 37.960 9.271 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 45 37.422 10.438 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 45 38.450 10.544 -11.632 1.00 0.00 H new ATOM 687 N ASN A 46 37.730 2.953 -11.834 1.00 0.00 N ATOM 688 CA ASN A 46 39.172 2.859 -11.729 1.00 0.00 C ATOM 689 C ASN A 46 39.804 3.014 -13.105 1.00 0.00 C ATOM 690 O ASN A 46 39.405 2.342 -14.055 1.00 0.00 O ATOM 691 CB ASN A 46 39.548 1.515 -11.111 1.00 0.00 C ATOM 692 CG ASN A 46 38.878 0.368 -11.854 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.319 -0.014 -12.935 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.811 -0.182 -11.269 1.00 0.00 N ATOM 0 H ASN A 46 37.288 2.152 -12.285 1.00 0.00 H new ATOM 0 HA ASN A 46 39.546 3.658 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.630 1.388 -11.138 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.251 1.497 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.324 -0.956 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.483 0.171 -10.370 1.00 0.00 H new ATOM 701 N ASP A 47 40.794 3.903 -13.210 1.00 0.00 N ATOM 702 CA ASP A 47 41.475 4.143 -14.466 1.00 0.00 C ATOM 703 C ASP A 47 40.462 4.197 -15.600 1.00 0.00 C ATOM 704 O ASP A 47 39.847 5.235 -15.836 1.00 0.00 O ATOM 705 CB ASP A 47 42.499 3.038 -14.708 1.00 0.00 C ATOM 706 CG ASP A 47 43.753 3.593 -15.367 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.489 4.320 -14.666 1.00 0.00 O ATOM 708 OD2 ASP A 47 43.953 3.280 -16.561 1.00 0.00 O ATOM 0 H ASP A 47 41.137 4.466 -12.432 1.00 0.00 H new ATOM 0 HA ASP A 47 41.995 5.100 -14.425 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.760 2.565 -13.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.063 2.265 -15.341 1.00 0.00 H new ATOM 713 N GLU A 48 40.288 3.075 -16.302 1.00 0.00 N ATOM 714 CA GLU A 48 39.349 3.004 -17.404 1.00 0.00 C ATOM 715 C GLU A 48 38.415 1.817 -17.214 1.00 0.00 C ATOM 716 O GLU A 48 37.864 1.296 -18.181 1.00 0.00 O ATOM 717 CB GLU A 48 40.118 2.882 -18.717 1.00 0.00 C ATOM 718 CG GLU A 48 39.269 3.438 -19.856 1.00 0.00 C ATOM 719 CD GLU A 48 39.992 3.301 -21.188 1.00 0.00 C ATOM 720 OE1 GLU A 48 39.986 2.172 -21.724 1.00 0.00 O ATOM 721 OE2 GLU A 48 40.536 4.329 -21.646 1.00 0.00 O ATOM 0 H GLU A 48 40.790 2.206 -16.120 1.00 0.00 H new ATOM 0 HA GLU A 48 38.746 3.912 -17.432 1.00 0.00 H new ATOM 0 HB2 GLU A 48 41.060 3.427 -18.651 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.366 1.838 -18.910 1.00 0.00 H new ATOM 0 HG2 GLU A 48 38.317 2.908 -19.898 1.00 0.00 H new ATOM 0 HG3 GLU A 48 39.042 4.487 -19.667 1.00 0.00 H new ATOM 728 N ASN A 49 38.237 1.392 -15.961 1.00 0.00 N ATOM 729 CA ASN A 49 37.371 0.272 -15.651 1.00 0.00 C ATOM 730 C ASN A 49 36.401 0.658 -14.543 1.00 0.00 C ATOM 731 O ASN A 49 36.751 0.615 -13.365 1.00 0.00 O ATOM 732 CB ASN A 49 38.220 -0.925 -15.235 1.00 0.00 C ATOM 733 CG ASN A 49 38.129 -2.040 -16.268 1.00 0.00 C ATOM 734 OD1 ASN A 49 37.104 -2.196 -16.928 1.00 0.00 O ATOM 735 ND2 ASN A 49 39.207 -2.817 -16.406 1.00 0.00 N ATOM 0 H ASN A 49 38.686 1.814 -15.148 1.00 0.00 H new ATOM 0 HA ASN A 49 36.791 0.001 -16.533 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.259 -0.616 -15.118 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.886 -1.294 -14.265 1.00 0.00 H new ATOM 0 HD21 ASN A 49 39.202 -3.580 -17.083 1.00 0.00 H new ATOM 0 HD22 ASN A 49 40.035 -2.647 -15.834 1.00 0.00 H new ATOM 742 N VAL A 50 35.179 1.035 -14.924 1.00 0.00 N ATOM 743 CA VAL A 50 34.165 1.426 -13.965 1.00 0.00 C ATOM 744 C VAL A 50 33.231 0.255 -13.698 1.00 0.00 C ATOM 745 O VAL A 50 32.738 -0.374 -14.632 1.00 0.00 O ATOM 746 CB VAL A 50 33.391 2.624 -14.505 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.331 3.045 -13.489 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.353 3.784 -14.746 1.00 0.00 C ATOM 0 H VAL A 50 34.875 1.075 -15.897 1.00 0.00 H new ATOM 0 HA VAL A 50 34.637 1.710 -13.025 1.00 0.00 H new ATOM 0 HB VAL A 50 32.908 2.352 -15.443 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.777 3.901 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.644 2.217 -13.316 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.814 3.318 -12.551 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.801 4.641 -15.132 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.836 4.057 -13.808 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.110 3.484 -15.471 1.00 0.00 H new ATOM 758 N THR A 51 32.987 -0.038 -12.419 1.00 0.00 N ATOM 759 CA THR A 51 32.113 -1.130 -12.041 1.00 0.00 C ATOM 760 C THR A 51 30.884 -0.587 -11.325 1.00 0.00 C ATOM 761 O THR A 51 30.980 0.366 -10.553 1.00 0.00 O ATOM 762 CB THR A 51 32.874 -2.103 -11.145 1.00 0.00 C ATOM 763 OG1 THR A 51 32.688 -1.742 -9.795 1.00 0.00 O ATOM 764 CG2 THR A 51 34.361 -2.050 -11.485 1.00 0.00 C ATOM 0 H THR A 51 33.388 0.472 -11.632 1.00 0.00 H new ATOM 0 HA THR A 51 31.783 -1.660 -12.934 1.00 0.00 H new ATOM 0 HB THR A 51 32.500 -3.114 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 51 31.818 -2.069 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.905 -2.745 -10.845 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.506 -2.328 -12.529 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.735 -1.039 -11.324 1.00 0.00 H new ATOM 772 N LEU A 52 29.725 -1.197 -11.583 1.00 0.00 N ATOM 773 CA LEU A 52 28.484 -0.776 -10.965 1.00 0.00 C ATOM 774 C LEU A 52 27.852 -1.946 -10.225 1.00 0.00 C ATOM 775 O LEU A 52 27.568 -2.982 -10.823 1.00 0.00 O ATOM 776 CB LEU A 52 27.540 -0.240 -12.036 1.00 0.00 C ATOM 777 CG LEU A 52 26.211 0.149 -11.394 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.385 -1.107 -11.133 1.00 0.00 C ATOM 779 CD2 LEU A 52 26.476 0.868 -10.074 1.00 0.00 C ATOM 0 H LEU A 52 29.629 -1.987 -12.220 1.00 0.00 H new ATOM 0 HA LEU A 52 28.683 0.017 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.985 0.625 -12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.378 -0.996 -12.804 1.00 0.00 H new ATOM 0 HG LEU A 52 25.663 0.811 -12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.436 -0.830 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 52 25.196 -1.621 -12.076 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.932 -1.769 -10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.528 1.146 -9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 52 27.024 0.207 -9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 52 27.066 1.765 -10.261 1.00 0.00 H new ATOM 791 N GLU A 53 27.631 -1.779 -8.919 1.00 0.00 N ATOM 792 CA GLU A 53 27.034 -2.820 -8.108 1.00 0.00 C ATOM 793 C GLU A 53 25.718 -2.330 -7.519 1.00 0.00 C ATOM 794 O GLU A 53 25.642 -1.219 -6.999 1.00 0.00 O ATOM 795 CB GLU A 53 28.005 -3.221 -7.001 1.00 0.00 C ATOM 796 CG GLU A 53 27.903 -4.723 -6.753 1.00 0.00 C ATOM 797 CD GLU A 53 28.651 -5.118 -5.488 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.740 -4.254 -4.589 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.120 -6.275 -5.443 1.00 0.00 O ATOM 0 H GLU A 53 27.860 -0.927 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 53 26.827 -3.693 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.024 -2.957 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.776 -2.674 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.855 -5.011 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.312 -5.265 -7.606 1.00 0.00 H new ATOM 806 N THR A 54 24.679 -3.164 -7.603 1.00 0.00 N ATOM 807 CA THR A 54 23.375 -2.812 -7.078 1.00 0.00 C ATOM 808 C THR A 54 22.775 -4.000 -6.340 1.00 0.00 C ATOM 809 O THR A 54 22.701 -5.099 -6.883 1.00 0.00 O ATOM 810 CB THR A 54 22.469 -2.373 -8.225 1.00 0.00 C ATOM 811 OG1 THR A 54 23.088 -1.328 -8.940 1.00 0.00 O ATOM 812 CG2 THR A 54 21.138 -1.884 -7.661 1.00 0.00 C ATOM 0 H THR A 54 24.724 -4.088 -8.032 1.00 0.00 H new ATOM 0 HA THR A 54 23.474 -1.987 -6.373 1.00 0.00 H new ATOM 0 HB THR A 54 22.294 -3.216 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.289 -1.629 -9.851 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.490 -1.570 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.659 -2.691 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 54 21.314 -1.041 -6.993 1.00 0.00 H new ATOM 820 N ILE A 55 22.346 -3.773 -5.096 1.00 0.00 N ATOM 821 CA ILE A 55 21.753 -4.820 -4.288 1.00 0.00 C ATOM 822 C ILE A 55 21.095 -4.210 -3.059 1.00 0.00 C ATOM 823 O ILE A 55 21.231 -3.015 -2.808 1.00 0.00 O ATOM 824 CB ILE A 55 22.830 -5.823 -3.883 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.170 -5.105 -3.749 1.00 0.00 C ATOM 826 CG2 ILE A 55 22.940 -6.908 -4.951 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.810 -5.468 -2.413 1.00 0.00 C ATOM 0 H ILE A 55 22.403 -2.866 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 55 20.989 -5.342 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 55 22.564 -6.277 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.830 -5.388 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.025 -4.027 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.709 -7.625 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.983 -7.421 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.207 -6.454 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.767 -4.955 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.152 -5.163 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.969 -6.545 -2.367 1.00 0.00 H new ATOM 839 N CYS A 56 20.378 -5.035 -2.290 1.00 0.00 N ATOM 840 CA CYS A 56 19.703 -4.574 -1.094 1.00 0.00 C ATOM 841 C CYS A 56 20.620 -4.741 0.110 1.00 0.00 C ATOM 842 O CYS A 56 20.621 -5.788 0.752 1.00 0.00 O ATOM 843 CB CYS A 56 18.411 -5.363 -0.903 1.00 0.00 C ATOM 844 SG CYS A 56 16.941 -4.328 -0.692 1.00 0.00 S ATOM 0 H CYS A 56 20.256 -6.029 -2.484 1.00 0.00 H new ATOM 0 HA CYS A 56 19.455 -3.517 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.264 -6.014 -1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.517 -6.008 -0.031 1.00 0.00 H new ATOM 849 N HIS A 57 21.402 -3.702 0.415 1.00 0.00 N ATOM 850 CA HIS A 57 22.317 -3.743 1.538 1.00 0.00 C ATOM 851 C HIS A 57 21.940 -2.676 2.555 1.00 0.00 C ATOM 852 O HIS A 57 21.458 -1.606 2.188 1.00 0.00 O ATOM 853 CB HIS A 57 23.743 -3.531 1.036 1.00 0.00 C ATOM 854 CG HIS A 57 24.704 -3.198 2.144 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.387 -4.101 2.926 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.057 -1.940 2.556 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.136 -3.394 3.792 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.969 -2.075 3.606 1.00 0.00 N ATOM 0 H HIS A 57 21.413 -2.825 -0.106 1.00 0.00 H new ATOM 0 HA HIS A 57 22.255 -4.716 2.026 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.082 -4.432 0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.749 -2.726 0.301 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.695 -1.010 2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.785 -3.830 4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.418 -1.322 4.127 1.00 0.00 H new ATOM 866 N ASP A 58 22.161 -2.969 3.838 1.00 0.00 N ATOM 867 CA ASP A 58 21.843 -2.037 4.902 1.00 0.00 C ATOM 868 C ASP A 58 22.942 -0.990 5.014 1.00 0.00 C ATOM 869 O ASP A 58 24.124 -1.328 5.033 1.00 0.00 O ATOM 870 CB ASP A 58 21.685 -2.799 6.214 1.00 0.00 C ATOM 871 CG ASP A 58 20.229 -2.825 6.655 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.469 -3.617 6.055 1.00 0.00 O ATOM 873 OD2 ASP A 58 19.902 -2.055 7.582 1.00 0.00 O ATOM 0 H ASP A 58 22.561 -3.851 4.158 1.00 0.00 H new ATOM 0 HA ASP A 58 20.905 -1.528 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.051 -3.819 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.295 -2.331 6.987 1.00 0.00 H new ATOM 878 N PRO A 59 22.551 0.284 5.088 1.00 0.00 N ATOM 879 CA PRO A 59 23.454 1.409 5.200 1.00 0.00 C ATOM 880 C PRO A 59 24.059 1.441 6.596 1.00 0.00 C ATOM 881 O PRO A 59 24.310 2.513 7.142 1.00 0.00 O ATOM 882 CB PRO A 59 22.580 2.638 4.955 1.00 0.00 C ATOM 883 CG PRO A 59 21.213 2.189 5.470 1.00 0.00 C ATOM 884 CD PRO A 59 21.171 0.716 5.068 1.00 0.00 C ATOM 0 HA PRO A 59 24.283 1.359 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.949 3.511 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.546 2.906 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.125 2.317 6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.402 2.757 5.014 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.565 0.134 5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.732 0.589 4.078 1.00 0.00 H new ATOM 892 N GLN A 60 24.294 0.260 7.172 1.00 0.00 N ATOM 893 CA GLN A 60 24.866 0.159 8.501 1.00 0.00 C ATOM 894 C GLN A 60 26.353 -0.148 8.401 1.00 0.00 C ATOM 895 O GLN A 60 27.179 0.588 8.935 1.00 0.00 O ATOM 896 CB GLN A 60 24.140 -0.933 9.283 1.00 0.00 C ATOM 897 CG GLN A 60 24.177 -0.602 10.772 1.00 0.00 C ATOM 898 CD GLN A 60 22.790 -0.714 11.388 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.267 -1.815 11.549 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.193 0.429 11.732 1.00 0.00 N ATOM 0 H GLN A 60 24.094 -0.638 6.731 1.00 0.00 H new ATOM 0 HA GLN A 60 24.746 1.106 9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.108 -1.013 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.611 -1.899 9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.862 -1.279 11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.562 0.408 10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.668 1.319 11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.262 0.413 12.148 1.00 0.00 H new ATOM 909 N LYS A 61 26.693 -1.240 7.712 1.00 0.00 N ATOM 910 CA LYS A 61 28.078 -1.637 7.545 1.00 0.00 C ATOM 911 C LYS A 61 28.688 -0.900 6.362 1.00 0.00 C ATOM 912 O LYS A 61 28.052 -0.756 5.321 1.00 0.00 O ATOM 913 CB LYS A 61 28.151 -3.147 7.338 1.00 0.00 C ATOM 914 CG LYS A 61 26.965 -3.813 8.030 1.00 0.00 C ATOM 915 CD LYS A 61 25.739 -3.735 7.126 1.00 0.00 C ATOM 916 CE LYS A 61 25.365 -5.137 6.652 1.00 0.00 C ATOM 917 NZ LYS A 61 24.814 -5.105 5.289 1.00 0.00 N ATOM 0 H LYS A 61 26.020 -1.861 7.263 1.00 0.00 H new ATOM 0 HA LYS A 61 28.645 -1.378 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.142 -3.380 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.086 -3.535 7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.199 -4.854 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.761 -3.320 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 61 24.904 -3.287 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.946 -3.093 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.245 -5.780 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.634 -5.572 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.145 -5.892 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.319 -4.203 5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.587 -5.197 4.600 1.00 0.00 H new ATOM 931 N ARG A 62 29.929 -0.434 6.525 1.00 0.00 N ATOM 932 CA ARG A 62 30.620 0.284 5.473 1.00 0.00 C ATOM 933 C ARG A 62 31.041 -0.683 4.376 1.00 0.00 C ATOM 934 O ARG A 62 31.770 -1.639 4.634 1.00 0.00 O ATOM 935 CB ARG A 62 31.836 0.998 6.060 1.00 0.00 C ATOM 936 CG ARG A 62 32.272 0.289 7.339 1.00 0.00 C ATOM 937 CD ARG A 62 31.288 0.611 8.461 1.00 0.00 C ATOM 938 NE ARG A 62 31.930 1.403 9.511 1.00 0.00 N ATOM 939 CZ ARG A 62 32.636 0.852 10.507 1.00 0.00 C ATOM 940 NH1 ARG A 62 32.779 -0.479 10.569 1.00 0.00 N ATOM 941 NH2 ARG A 62 33.200 1.631 11.440 1.00 0.00 N ATOM 0 H ARG A 62 30.470 -0.546 7.382 1.00 0.00 H new ATOM 0 HA ARG A 62 29.953 1.027 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.652 1.003 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 62 31.592 2.039 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.313 -0.788 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 62 33.276 0.607 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.437 1.159 8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.899 -0.315 8.885 1.00 0.00 H new ATOM 0 HE ARG A 62 31.836 2.418 9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 62 32.350 -1.072 9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 62 33.316 -0.899 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 62 33.092 2.644 11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 62 33.738 1.211 12.198 1.00 0.00 H new ATOM 955 N LEU A 63 30.578 -0.434 3.149 1.00 0.00 N ATOM 956 CA LEU A 63 30.908 -1.282 2.021 1.00 0.00 C ATOM 957 C LEU A 63 32.170 -0.771 1.341 1.00 0.00 C ATOM 958 O LEU A 63 32.335 0.433 1.156 1.00 0.00 O ATOM 959 CB LEU A 63 29.737 -1.302 1.042 1.00 0.00 C ATOM 960 CG LEU A 63 30.135 -2.081 -0.210 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.821 -3.560 -0.009 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.352 -1.551 -1.407 1.00 0.00 C ATOM 0 H LEU A 63 29.972 0.353 2.919 1.00 0.00 H new ATOM 0 HA LEU A 63 31.093 -2.299 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.866 -1.763 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.454 -0.284 0.775 1.00 0.00 H new ATOM 0 HG LEU A 63 31.203 -1.959 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.105 -4.117 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.380 -3.938 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.753 -3.684 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.635 -2.106 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.284 -1.674 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.577 -0.494 -1.550 1.00 0.00 H new ATOM 974 N TYR A 64 33.063 -1.691 0.969 1.00 0.00 N ATOM 975 CA TYR A 64 34.304 -1.329 0.315 1.00 0.00 C ATOM 976 C TYR A 64 35.018 -0.252 1.120 1.00 0.00 C ATOM 977 O TYR A 64 35.781 0.537 0.569 1.00 0.00 O ATOM 978 CB TYR A 64 34.008 -0.838 -1.099 1.00 0.00 C ATOM 979 CG TYR A 64 33.282 -1.853 -1.949 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.845 -3.117 -2.165 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.046 -1.531 -2.522 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.172 -4.058 -2.953 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.373 -2.472 -3.311 1.00 0.00 C ATOM 984 CZ TYR A 64 31.936 -3.735 -3.527 1.00 0.00 C ATOM 985 OH TYR A 64 31.281 -4.652 -4.295 1.00 0.00 O ATOM 0 H TYR A 64 32.941 -2.693 1.114 1.00 0.00 H new ATOM 0 HA TYR A 64 34.955 -2.201 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.409 0.071 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.946 -0.572 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.799 -3.366 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.611 -0.556 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.606 -5.033 -3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.419 -2.223 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 64 30.357 -4.741 -3.981 1.00 0.00 H new ATOM 995 N GLY A 65 34.766 -0.222 2.432 1.00 0.00 N ATOM 996 CA GLY A 65 35.386 0.758 3.302 1.00 0.00 C ATOM 997 C GLY A 65 34.642 2.083 3.220 1.00 0.00 C ATOM 998 O GLY A 65 35.136 3.108 3.684 1.00 0.00 O ATOM 0 H GLY A 65 34.136 -0.869 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.384 0.395 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.428 0.900 3.016 1.00 0.00 H new ATOM 1002 N HIS A 66 33.446 2.060 2.626 1.00 0.00 N ATOM 1003 CA HIS A 66 32.642 3.257 2.484 1.00 0.00 C ATOM 1004 C HIS A 66 31.345 3.107 3.264 1.00 0.00 C ATOM 1005 O HIS A 66 30.779 2.017 3.333 1.00 0.00 O ATOM 1006 CB HIS A 66 32.358 3.505 1.005 1.00 0.00 C ATOM 1007 CG HIS A 66 33.611 3.555 0.174 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.902 3.542 0.651 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.672 3.623 -1.191 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.723 3.601 -0.413 1.00 0.00 C ATOM 1011 NE2 HIS A 66 35.021 3.651 -1.558 1.00 0.00 N ATOM 0 H HIS A 66 33.020 1.219 2.238 1.00 0.00 H new ATOM 0 HA HIS A 66 33.185 4.112 2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.707 2.716 0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.817 4.445 0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.829 3.650 -1.865 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.801 3.607 -0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 66 35.397 3.700 -2.505 1.00 0.00 H new ATOM 1019 N MET A 67 30.871 4.207 3.854 1.00 0.00 N ATOM 1020 CA MET A 67 29.645 4.192 4.625 1.00 0.00 C ATOM 1021 C MET A 67 28.649 5.181 4.037 1.00 0.00 C ATOM 1022 O MET A 67 28.979 6.345 3.821 1.00 0.00 O ATOM 1023 CB MET A 67 29.955 4.539 6.078 1.00 0.00 C ATOM 1024 CG MET A 67 29.102 3.675 7.003 1.00 0.00 C ATOM 1025 SD MET A 67 28.677 4.473 8.571 1.00 0.00 S ATOM 1026 CE MET A 67 29.676 3.460 9.690 1.00 0.00 C ATOM 0 H MET A 67 31.326 5.118 3.807 1.00 0.00 H new ATOM 0 HA MET A 67 29.202 3.197 4.587 1.00 0.00 H new ATOM 0 HB2 MET A 67 31.013 4.376 6.284 1.00 0.00 H new ATOM 0 HB3 MET A 67 29.754 5.594 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 67 28.183 3.404 6.484 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.636 2.748 7.212 1.00 0.00 H new ATOM 0 HE1 MET A 67 29.473 3.749 10.721 1.00 0.00 H new ATOM 0 HE2 MET A 67 29.424 2.409 9.552 1.00 0.00 H new ATOM 0 HE3 MET A 67 30.733 3.611 9.472 1.00 0.00 H new ATOM 1036 N LEU A 68 27.426 4.713 3.778 1.00 0.00 N ATOM 1037 CA LEU A 68 26.387 5.555 3.218 1.00 0.00 C ATOM 1038 C LEU A 68 25.908 6.550 4.265 1.00 0.00 C ATOM 1039 O LEU A 68 26.005 6.291 5.462 1.00 0.00 O ATOM 1040 CB LEU A 68 25.234 4.683 2.731 1.00 0.00 C ATOM 1041 CG LEU A 68 25.789 3.481 1.975 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.030 2.223 2.390 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.624 3.702 0.474 1.00 0.00 C ATOM 0 H LEU A 68 27.138 3.750 3.951 1.00 0.00 H new ATOM 0 HA LEU A 68 26.784 6.114 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.635 4.348 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.575 5.261 2.083 1.00 0.00 H new ATOM 0 HG LEU A 68 26.847 3.362 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.427 1.364 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.148 2.064 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.972 2.342 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.021 2.842 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.567 3.822 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.166 4.599 0.177 1.00 0.00 H new ATOM 1055 N ASP A 69 25.387 7.692 3.809 1.00 0.00 N ATOM 1056 CA ASP A 69 24.895 8.719 4.707 1.00 0.00 C ATOM 1057 C ASP A 69 23.605 9.309 4.156 1.00 0.00 C ATOM 1058 O ASP A 69 23.455 10.527 4.093 1.00 0.00 O ATOM 1059 CB ASP A 69 25.959 9.801 4.871 1.00 0.00 C ATOM 1060 CG ASP A 69 26.873 9.491 6.047 1.00 0.00 C ATOM 1061 OD1 ASP A 69 26.372 9.567 7.190 1.00 0.00 O ATOM 1062 OD2 ASP A 69 28.055 9.185 5.782 1.00 0.00 O ATOM 0 H ASP A 69 25.298 7.921 2.819 1.00 0.00 H new ATOM 0 HA ASP A 69 24.684 8.285 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 69 26.549 9.878 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 69 25.479 10.768 5.023 1.00 0.00 H new ATOM 1067 N ASP A 70 22.672 8.441 3.756 1.00 0.00 N ATOM 1068 CA ASP A 70 21.402 8.880 3.214 1.00 0.00 C ATOM 1069 C ASP A 70 20.563 7.672 2.825 1.00 0.00 C ATOM 1070 O ASP A 70 20.501 7.308 1.653 1.00 0.00 O ATOM 1071 CB ASP A 70 21.650 9.778 2.004 1.00 0.00 C ATOM 1072 CG ASP A 70 20.672 10.943 1.982 1.00 0.00 C ATOM 1073 OD1 ASP A 70 20.247 11.348 3.085 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.367 11.406 0.862 1.00 0.00 O ATOM 0 H ASP A 70 22.782 7.428 3.801 1.00 0.00 H new ATOM 0 HA ASP A 70 20.857 9.449 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.672 10.156 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.549 9.196 1.088 1.00 0.00 H new ATOM 1079 N SER A 71 19.917 7.049 3.813 1.00 0.00 N ATOM 1080 CA SER A 71 19.086 5.887 3.568 1.00 0.00 C ATOM 1081 C SER A 71 17.619 6.291 3.574 1.00 0.00 C ATOM 1082 O SER A 71 16.824 5.767 2.796 1.00 0.00 O ATOM 1083 CB SER A 71 19.360 4.832 4.636 1.00 0.00 C ATOM 1084 OG SER A 71 18.911 5.303 5.887 1.00 0.00 O ATOM 0 H SER A 71 19.959 7.337 4.790 1.00 0.00 H new ATOM 0 HA SER A 71 19.322 5.466 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.852 3.901 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.427 4.612 4.680 1.00 0.00 H new ATOM 0 HG SER A 71 19.085 4.625 6.573 1.00 0.00 H new ATOM 1090 N SER A 72 17.261 7.228 4.455 1.00 0.00 N ATOM 1091 CA SER A 72 15.893 7.698 4.556 1.00 0.00 C ATOM 1092 C SER A 72 15.609 8.702 3.448 1.00 0.00 C ATOM 1093 O SER A 72 14.481 9.166 3.300 1.00 0.00 O ATOM 1094 CB SER A 72 15.673 8.329 5.928 1.00 0.00 C ATOM 1095 OG SER A 72 14.529 9.152 5.888 1.00 0.00 O ATOM 0 H SER A 72 17.908 7.672 5.107 1.00 0.00 H new ATOM 0 HA SER A 72 15.207 6.859 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.549 7.552 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.546 8.915 6.215 1.00 0.00 H new ATOM 0 HG SER A 72 14.052 9.009 5.044 1.00 0.00 H new ATOM 1101 N SER A 73 16.640 9.037 2.667 1.00 0.00 N ATOM 1102 CA SER A 73 16.497 9.982 1.578 1.00 0.00 C ATOM 1103 C SER A 73 15.817 9.307 0.395 1.00 0.00 C ATOM 1104 O SER A 73 16.197 8.206 0.003 1.00 0.00 O ATOM 1105 CB SER A 73 17.871 10.513 1.182 1.00 0.00 C ATOM 1106 OG SER A 73 17.718 11.581 0.274 1.00 0.00 O ATOM 0 H SER A 73 17.582 8.661 2.777 1.00 0.00 H new ATOM 0 HA SER A 73 15.877 10.820 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.412 10.848 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.463 9.718 0.729 1.00 0.00 H new ATOM 0 HG SER A 73 18.595 11.972 0.078 1.00 0.00 H new ATOM 1112 N GLU A 74 14.809 9.971 -0.175 1.00 0.00 N ATOM 1113 CA GLU A 74 14.086 9.433 -1.309 1.00 0.00 C ATOM 1114 C GLU A 74 14.961 9.480 -2.553 1.00 0.00 C ATOM 1115 O GLU A 74 14.594 8.942 -3.595 1.00 0.00 O ATOM 1116 CB GLU A 74 12.803 10.234 -1.519 1.00 0.00 C ATOM 1117 CG GLU A 74 11.600 9.301 -1.431 1.00 0.00 C ATOM 1118 CD GLU A 74 10.595 9.806 -0.406 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.886 9.651 0.800 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.555 10.340 -0.848 1.00 0.00 O ATOM 0 H GLU A 74 14.481 10.885 0.138 1.00 0.00 H new ATOM 0 HA GLU A 74 13.823 8.393 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.724 11.018 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.824 10.726 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.122 9.224 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.931 8.299 -1.159 1.00 0.00 H new ATOM 1127 N GLN A 75 16.124 10.127 -2.440 1.00 0.00 N ATOM 1128 CA GLN A 75 17.046 10.241 -3.553 1.00 0.00 C ATOM 1129 C GLN A 75 18.427 9.760 -3.131 1.00 0.00 C ATOM 1130 O GLN A 75 19.041 10.336 -2.237 1.00 0.00 O ATOM 1131 CB GLN A 75 17.098 11.692 -4.021 1.00 0.00 C ATOM 1132 CG GLN A 75 16.190 11.870 -5.235 1.00 0.00 C ATOM 1133 CD GLN A 75 16.424 13.221 -5.894 1.00 0.00 C ATOM 1134 OE1 GLN A 75 16.955 13.291 -7.000 1.00 0.00 O ATOM 1135 NE2 GLN A 75 16.026 14.297 -5.211 1.00 0.00 N ATOM 0 H GLN A 75 16.442 10.578 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 75 16.704 9.618 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.781 12.356 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.122 11.966 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.377 11.073 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.147 11.785 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.590 14.187 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.158 15.229 -5.605 1.00 0.00 H new ATOM 1144 N CYS A 76 18.914 8.700 -3.781 1.00 0.00 N ATOM 1145 CA CYS A 76 20.218 8.147 -3.473 1.00 0.00 C ATOM 1146 C CYS A 76 21.305 9.030 -4.068 1.00 0.00 C ATOM 1147 O CYS A 76 21.271 9.345 -5.256 1.00 0.00 O ATOM 1148 CB CYS A 76 20.312 6.727 -4.025 1.00 0.00 C ATOM 1149 SG CYS A 76 21.143 5.561 -2.919 1.00 0.00 S ATOM 0 H CYS A 76 18.416 8.212 -4.525 1.00 0.00 H new ATOM 0 HA CYS A 76 20.356 8.112 -2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.306 6.361 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.844 6.752 -4.976 1.00 0.00 H new ATOM 1154 N VAL A 77 22.272 9.431 -3.239 1.00 0.00 N ATOM 1155 CA VAL A 77 23.362 10.274 -3.685 1.00 0.00 C ATOM 1156 C VAL A 77 24.671 9.500 -3.622 1.00 0.00 C ATOM 1157 O VAL A 77 24.896 8.731 -2.691 1.00 0.00 O ATOM 1158 CB VAL A 77 23.430 11.523 -2.811 1.00 0.00 C ATOM 1159 CG1 VAL A 77 24.274 11.233 -1.573 1.00 0.00 C ATOM 1160 CG2 VAL A 77 24.063 12.664 -3.602 1.00 0.00 C ATOM 0 H VAL A 77 22.314 9.179 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 77 23.192 10.579 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 77 22.423 11.807 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 77 24.323 12.125 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.822 10.418 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.281 10.948 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 77 24.112 13.556 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 77 25.070 12.380 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.460 12.872 -4.486 1.00 0.00 H new ATOM 1170 N MET A 78 25.536 9.705 -4.619 1.00 0.00 N ATOM 1171 CA MET A 78 26.814 9.025 -4.670 1.00 0.00 C ATOM 1172 C MET A 78 27.845 9.795 -3.857 1.00 0.00 C ATOM 1173 O MET A 78 28.133 10.954 -4.149 1.00 0.00 O ATOM 1174 CB MET A 78 27.262 8.895 -6.124 1.00 0.00 C ATOM 1175 CG MET A 78 26.564 7.701 -6.767 1.00 0.00 C ATOM 1176 SD MET A 78 27.414 6.124 -6.505 1.00 0.00 S ATOM 1177 CE MET A 78 26.376 5.450 -5.185 1.00 0.00 C ATOM 0 H MET A 78 25.365 10.340 -5.399 1.00 0.00 H new ATOM 0 HA MET A 78 26.715 8.028 -4.241 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.024 9.807 -6.672 1.00 0.00 H new ATOM 0 HB3 MET A 78 28.343 8.767 -6.172 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.552 7.627 -6.369 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.473 7.880 -7.838 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.685 4.428 -4.965 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.482 6.063 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 78 25.334 5.452 -5.504 1.00 0.00 H new ATOM 1187 N LYS A 79 28.401 9.146 -2.831 1.00 0.00 N ATOM 1188 CA LYS A 79 29.395 9.772 -1.981 1.00 0.00 C ATOM 1189 C LYS A 79 30.786 9.294 -2.374 1.00 0.00 C ATOM 1190 O LYS A 79 31.024 8.094 -2.487 1.00 0.00 O ATOM 1191 CB LYS A 79 29.098 9.436 -0.523 1.00 0.00 C ATOM 1192 CG LYS A 79 28.881 10.727 0.262 1.00 0.00 C ATOM 1193 CD LYS A 79 29.035 10.448 1.754 1.00 0.00 C ATOM 1194 CE LYS A 79 28.443 11.606 2.553 1.00 0.00 C ATOM 1195 NZ LYS A 79 29.446 12.659 2.777 1.00 0.00 N ATOM 0 H LYS A 79 28.173 8.185 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 79 29.358 10.854 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.212 8.804 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.925 8.871 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.601 11.482 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.888 11.127 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.531 9.517 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 79 30.088 10.321 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.588 12.021 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 79 28.074 11.240 3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.019 13.435 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 30.250 12.266 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.779 13.022 1.861 1.00 0.00 H new ATOM 1209 N GLU A 80 31.705 10.239 -2.581 1.00 0.00 N ATOM 1210 CA GLU A 80 33.065 9.910 -2.958 1.00 0.00 C ATOM 1211 C GLU A 80 33.867 9.523 -1.723 1.00 0.00 C ATOM 1212 O GLU A 80 34.097 10.349 -0.843 1.00 0.00 O ATOM 1213 CB GLU A 80 33.700 11.105 -3.662 1.00 0.00 C ATOM 1214 CG GLU A 80 33.849 12.258 -2.673 1.00 0.00 C ATOM 1215 CD GLU A 80 33.986 13.586 -3.405 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.131 13.907 -3.789 1.00 0.00 O ATOM 1217 OE2 GLU A 80 32.943 14.256 -3.565 1.00 0.00 O ATOM 0 H GLU A 80 31.523 11.239 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 80 33.060 9.061 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.675 10.828 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 80 33.083 11.413 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.983 12.290 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.724 12.093 -2.044 1.00 0.00 H new ATOM 1224 N LYS A 81 34.294 8.260 -1.661 1.00 0.00 N ATOM 1225 CA LYS A 81 35.067 7.771 -0.537 1.00 0.00 C ATOM 1226 C LYS A 81 36.529 7.629 -0.938 1.00 0.00 C ATOM 1227 O LYS A 81 36.842 7.480 -2.117 1.00 0.00 O ATOM 1228 CB LYS A 81 34.501 6.431 -0.076 1.00 0.00 C ATOM 1229 CG LYS A 81 32.988 6.548 0.086 1.00 0.00 C ATOM 1230 CD LYS A 81 32.637 6.593 1.571 1.00 0.00 C ATOM 1231 CE LYS A 81 31.122 6.531 1.738 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.634 7.660 2.546 1.00 0.00 N ATOM 0 H LYS A 81 34.113 7.562 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 81 35.004 8.481 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.741 5.654 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.957 6.137 0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.627 7.448 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.494 5.701 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 81 33.105 5.758 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 81 33.026 7.507 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.644 6.546 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.843 5.591 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 30.001 7.306 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.441 8.150 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 30.114 8.324 1.937 1.00 0.00 H new ATOM 1246 N LYS A 82 37.426 7.674 0.051 1.00 0.00 N ATOM 1247 CA LYS A 82 38.847 7.550 -0.202 1.00 0.00 C ATOM 1248 C LYS A 82 39.123 6.286 -1.003 1.00 0.00 C ATOM 1249 O LYS A 82 39.130 5.188 -0.453 1.00 0.00 O ATOM 1250 CB LYS A 82 39.598 7.523 1.126 1.00 0.00 C ATOM 1251 CG LYS A 82 39.122 6.334 1.955 1.00 0.00 C ATOM 1252 CD LYS A 82 38.724 6.811 3.349 1.00 0.00 C ATOM 1253 CE LYS A 82 38.008 5.684 4.088 1.00 0.00 C ATOM 1254 NZ LYS A 82 37.959 5.949 5.534 1.00 0.00 N ATOM 0 H LYS A 82 37.183 7.796 1.034 1.00 0.00 H new ATOM 0 HA LYS A 82 39.192 8.405 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.671 7.450 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.428 8.451 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.274 5.854 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.913 5.587 2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.609 7.120 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 82 38.073 7.682 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 82 36.995 5.576 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.522 4.740 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 37.467 5.168 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 38.927 6.029 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 37.448 6.838 5.707 1.00 0.00 H new ATOM 1268 N ASP A 83 39.350 6.444 -2.310 1.00 0.00 N ATOM 1269 CA ASP A 83 39.623 5.319 -3.180 1.00 0.00 C ATOM 1270 C ASP A 83 40.940 5.541 -3.909 1.00 0.00 C ATOM 1271 O ASP A 83 41.066 6.478 -4.695 1.00 0.00 O ATOM 1272 CB ASP A 83 38.476 5.154 -4.173 1.00 0.00 C ATOM 1273 CG ASP A 83 37.177 4.819 -3.452 1.00 0.00 C ATOM 1274 OD1 ASP A 83 37.183 3.812 -2.711 1.00 0.00 O ATOM 1275 OD2 ASP A 83 36.203 5.576 -3.656 1.00 0.00 O ATOM 0 H ASP A 83 39.348 7.348 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 83 39.706 4.408 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.352 6.072 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.716 4.364 -4.884 1.00 0.00 H new ATOM 1280 N ASP A 84 41.923 4.675 -3.649 1.00 0.00 N ATOM 1281 CA ASP A 84 43.222 4.781 -4.281 1.00 0.00 C ATOM 1282 C ASP A 84 43.252 3.933 -5.543 1.00 0.00 C ATOM 1283 O ASP A 84 42.932 2.747 -5.505 1.00 0.00 O ATOM 1284 CB ASP A 84 44.301 4.331 -3.300 1.00 0.00 C ATOM 1285 CG ASP A 84 44.265 5.168 -2.029 1.00 0.00 C ATOM 1286 OD1 ASP A 84 44.484 6.393 -2.150 1.00 0.00 O ATOM 1287 OD2 ASP A 84 44.019 4.568 -0.961 1.00 0.00 O ATOM 0 H ASP A 84 41.834 3.892 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 84 43.412 5.817 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 84 44.156 3.280 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 84 45.282 4.416 -3.768 1.00 0.00 H new ATOM 1292 N GLY A 85 43.640 4.543 -6.667 1.00 0.00 N ATOM 1293 CA GLY A 85 43.708 3.839 -7.931 1.00 0.00 C ATOM 1294 C GLY A 85 42.412 4.025 -8.708 1.00 0.00 C ATOM 1295 O GLY A 85 42.336 3.684 -9.887 1.00 0.00 O ATOM 0 H GLY A 85 43.910 5.525 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.548 4.210 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.886 2.778 -7.755 1.00 0.00 H new ATOM 1299 N GLY A 86 41.390 4.568 -8.043 1.00 0.00 N ATOM 1300 CA GLY A 86 40.106 4.795 -8.675 1.00 0.00 C ATOM 1301 C GLY A 86 39.138 5.435 -7.689 1.00 0.00 C ATOM 1302 O GLY A 86 39.507 5.732 -6.555 1.00 0.00 O ATOM 0 H GLY A 86 41.435 4.856 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.230 5.441 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.698 3.850 -9.035 1.00 0.00 H new ATOM 1306 N LEU A 87 37.895 5.645 -8.126 1.00 0.00 N ATOM 1307 CA LEU A 87 36.879 6.247 -7.284 1.00 0.00 C ATOM 1308 C LEU A 87 35.735 5.266 -7.073 1.00 0.00 C ATOM 1309 O LEU A 87 35.370 4.527 -7.986 1.00 0.00 O ATOM 1310 CB LEU A 87 36.377 7.533 -7.934 1.00 0.00 C ATOM 1311 CG LEU A 87 36.736 8.723 -7.051 1.00 0.00 C ATOM 1312 CD1 LEU A 87 36.371 8.412 -5.602 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.235 8.996 -7.150 1.00 0.00 C ATOM 0 H LEU A 87 37.574 5.403 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 87 37.305 6.490 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.823 7.652 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.297 7.484 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 87 36.183 9.601 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 36.628 9.263 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.301 8.217 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 87 36.923 7.533 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 87 38.492 9.847 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 87 38.788 8.117 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.497 9.219 -8.184 1.00 0.00 H new ATOM 1325 N MET A 88 35.167 5.261 -5.866 1.00 0.00 N ATOM 1326 CA MET A 88 34.070 4.371 -5.543 1.00 0.00 C ATOM 1327 C MET A 88 32.999 5.128 -4.771 1.00 0.00 C ATOM 1328 O MET A 88 33.252 5.625 -3.676 1.00 0.00 O ATOM 1329 CB MET A 88 34.595 3.194 -4.725 1.00 0.00 C ATOM 1330 CG MET A 88 35.902 2.694 -5.332 1.00 0.00 C ATOM 1331 SD MET A 88 35.976 0.898 -5.542 1.00 0.00 S ATOM 1332 CE MET A 88 35.523 0.392 -3.864 1.00 0.00 C ATOM 0 H MET A 88 35.456 5.869 -5.099 1.00 0.00 H new ATOM 0 HA MET A 88 33.625 3.989 -6.462 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.755 3.499 -3.691 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.858 2.391 -4.710 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.045 3.169 -6.302 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.730 3.010 -4.697 1.00 0.00 H new ATOM 0 HE1 MET A 88 35.972 -0.576 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 88 35.886 1.132 -3.150 1.00 0.00 H new ATOM 0 HE3 MET A 88 34.438 0.315 -3.787 1.00 0.00 H new ATOM 1342 N PHE A 89 31.798 5.214 -5.346 1.00 0.00 N ATOM 1343 CA PHE A 89 30.696 5.908 -4.711 1.00 0.00 C ATOM 1344 C PHE A 89 29.625 4.908 -4.297 1.00 0.00 C ATOM 1345 O PHE A 89 29.225 4.058 -5.089 1.00 0.00 O ATOM 1346 CB PHE A 89 30.125 6.943 -5.676 1.00 0.00 C ATOM 1347 CG PHE A 89 31.067 8.089 -5.959 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.331 7.837 -6.504 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.677 9.403 -5.673 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.206 8.898 -6.764 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.552 10.464 -5.933 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.817 10.212 -6.479 1.00 0.00 C ATOM 0 H PHE A 89 31.572 4.807 -6.254 1.00 0.00 H new ATOM 0 HA PHE A 89 31.051 6.420 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.872 6.451 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.197 7.339 -5.263 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.632 6.823 -6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.702 9.598 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.181 8.703 -7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.252 11.478 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.492 11.031 -6.680 1.00 0.00 H new ATOM 1362 N MET A 90 29.162 5.012 -3.049 1.00 0.00 N ATOM 1363 CA MET A 90 28.144 4.116 -2.537 1.00 0.00 C ATOM 1364 C MET A 90 26.942 4.918 -2.056 1.00 0.00 C ATOM 1365 O MET A 90 27.101 5.972 -1.443 1.00 0.00 O ATOM 1366 CB MET A 90 28.726 3.282 -1.401 1.00 0.00 C ATOM 1367 CG MET A 90 29.551 4.179 -0.482 1.00 0.00 C ATOM 1368 SD MET A 90 28.748 4.552 1.097 1.00 0.00 S ATOM 1369 CE MET A 90 28.475 6.326 0.870 1.00 0.00 C ATOM 0 H MET A 90 29.482 5.712 -2.380 1.00 0.00 H new ATOM 0 HA MET A 90 27.814 3.446 -3.331 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.924 2.806 -0.837 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.350 2.484 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.509 3.698 -0.286 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.764 5.114 -1.000 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.606 6.839 1.823 1.00 0.00 H new ATOM 0 HE2 MET A 90 29.192 6.715 0.147 1.00 0.00 H new ATOM 0 HE3 MET A 90 27.462 6.494 0.504 1.00 0.00 H new ATOM 1379 N CYS A 91 25.739 4.415 -2.334 1.00 0.00 N ATOM 1380 CA CYS A 91 24.517 5.082 -1.930 1.00 0.00 C ATOM 1381 C CYS A 91 23.483 4.051 -1.503 1.00 0.00 C ATOM 1382 O CYS A 91 23.494 2.922 -1.989 1.00 0.00 O ATOM 1383 CB CYS A 91 23.993 5.928 -3.087 1.00 0.00 C ATOM 1384 SG CYS A 91 22.805 5.067 -4.147 1.00 0.00 S ATOM 0 H CYS A 91 25.592 3.542 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 91 24.719 5.736 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.522 6.825 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.836 6.256 -3.695 1.00 0.00 H new ATOM 1389 N SER A 92 22.589 4.441 -0.593 1.00 0.00 N ATOM 1390 CA SER A 92 21.554 3.549 -0.108 1.00 0.00 C ATOM 1391 C SER A 92 20.227 4.291 -0.030 1.00 0.00 C ATOM 1392 O SER A 92 20.191 5.516 -0.130 1.00 0.00 O ATOM 1393 CB SER A 92 21.952 3.007 1.262 1.00 0.00 C ATOM 1394 OG SER A 92 22.739 3.964 1.935 1.00 0.00 O ATOM 0 H SER A 92 22.568 5.374 -0.180 1.00 0.00 H new ATOM 0 HA SER A 92 21.439 2.712 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.061 2.777 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.509 2.077 1.149 1.00 0.00 H new ATOM 0 HG SER A 92 22.158 4.556 2.457 1.00 0.00 H new ATOM 1400 N CYS A 93 19.135 3.544 0.148 1.00 0.00 N ATOM 1401 CA CYS A 93 17.813 4.131 0.240 1.00 0.00 C ATOM 1402 C CYS A 93 16.758 3.035 0.181 1.00 0.00 C ATOM 1403 O CYS A 93 16.829 2.147 -0.666 1.00 0.00 O ATOM 1404 CB CYS A 93 17.621 5.129 -0.899 1.00 0.00 C ATOM 1405 SG CYS A 93 18.173 4.520 -2.511 1.00 0.00 S ATOM 0 H CYS A 93 19.150 2.527 0.231 1.00 0.00 H new ATOM 0 HA CYS A 93 17.709 4.658 1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.565 5.392 -0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.164 6.044 -0.662 1.00 0.00 H new ATOM 1410 N THR A 94 15.778 3.100 1.085 1.00 0.00 N ATOM 1411 CA THR A 94 14.717 2.114 1.127 1.00 0.00 C ATOM 1412 C THR A 94 13.729 2.366 -0.002 1.00 0.00 C ATOM 1413 O THR A 94 12.809 1.578 -0.217 1.00 0.00 O ATOM 1414 CB THR A 94 14.017 2.180 2.482 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.710 1.665 2.362 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.952 3.631 2.951 1.00 0.00 C ATOM 0 H THR A 94 15.705 3.829 1.795 1.00 0.00 H new ATOM 0 HA THR A 94 15.138 1.117 0.996 1.00 0.00 H new ATOM 0 HB THR A 94 14.575 1.588 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.614 1.215 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.452 3.679 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.963 4.029 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.395 4.223 2.225 1.00 0.00 H new ATOM 1424 N GLY A 95 13.922 3.469 -0.728 1.00 0.00 N ATOM 1425 CA GLY A 95 13.048 3.818 -1.830 1.00 0.00 C ATOM 1426 C GLY A 95 13.002 2.684 -2.845 1.00 0.00 C ATOM 1427 O GLY A 95 13.663 1.663 -2.672 1.00 0.00 O ATOM 0 H GLY A 95 14.680 4.132 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.044 4.023 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.402 4.731 -2.309 1.00 0.00 H new ATOM 1431 N GLU A 96 12.215 2.867 -3.908 1.00 0.00 N ATOM 1432 CA GLU A 96 12.087 1.862 -4.943 1.00 0.00 C ATOM 1433 C GLU A 96 13.176 2.051 -5.990 1.00 0.00 C ATOM 1434 O GLU A 96 13.251 3.097 -6.632 1.00 0.00 O ATOM 1435 CB GLU A 96 10.703 1.962 -5.579 1.00 0.00 C ATOM 1436 CG GLU A 96 10.332 0.620 -6.206 1.00 0.00 C ATOM 1437 CD GLU A 96 8.868 0.600 -6.620 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.546 1.303 -7.601 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.099 -0.119 -5.947 1.00 0.00 O ATOM 0 H GLU A 96 11.659 3.707 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 96 12.203 0.870 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.965 2.240 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.696 2.744 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.962 0.434 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.524 -0.184 -5.495 1.00 0.00 H new ATOM 1446 N GLU A 97 14.024 1.034 -6.159 1.00 0.00 N ATOM 1447 CA GLU A 97 15.102 1.094 -7.127 1.00 0.00 C ATOM 1448 C GLU A 97 15.842 2.418 -6.999 1.00 0.00 C ATOM 1449 O GLU A 97 16.625 2.783 -7.872 1.00 0.00 O ATOM 1450 CB GLU A 97 14.532 0.927 -8.532 1.00 0.00 C ATOM 1451 CG GLU A 97 13.744 -0.378 -8.611 1.00 0.00 C ATOM 1452 CD GLU A 97 12.677 -0.303 -9.692 1.00 0.00 C ATOM 1453 OE1 GLU A 97 11.635 0.332 -9.418 1.00 0.00 O ATOM 1454 OE2 GLU A 97 12.921 -0.883 -10.772 1.00 0.00 O ATOM 0 H GLU A 97 13.978 0.161 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 97 15.810 0.287 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.885 1.770 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.339 0.922 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.422 -1.205 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.278 -0.585 -7.648 1.00 0.00 H new ATOM 1461 N CYS A 98 15.592 3.138 -5.902 1.00 0.00 N ATOM 1462 CA CYS A 98 16.232 4.415 -5.662 1.00 0.00 C ATOM 1463 C CYS A 98 17.745 4.248 -5.703 1.00 0.00 C ATOM 1464 O CYS A 98 18.463 5.164 -6.096 1.00 0.00 O ATOM 1465 CB CYS A 98 15.785 4.961 -4.310 1.00 0.00 C ATOM 1466 SG CYS A 98 17.005 6.033 -3.510 1.00 0.00 S ATOM 0 H CYS A 98 14.946 2.848 -5.168 1.00 0.00 H new ATOM 0 HA CYS A 98 15.943 5.123 -6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.858 5.519 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 98 15.561 4.125 -3.648 1.00 0.00 H new ATOM 1471 N ASN A 99 18.228 3.072 -5.295 1.00 0.00 N ATOM 1472 CA ASN A 99 19.650 2.793 -5.287 1.00 0.00 C ATOM 1473 C ASN A 99 20.151 2.613 -6.714 1.00 0.00 C ATOM 1474 O ASN A 99 21.306 2.908 -7.012 1.00 0.00 O ATOM 1475 CB ASN A 99 19.916 1.538 -4.459 1.00 0.00 C ATOM 1476 CG ASN A 99 19.338 0.305 -5.140 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.375 0.406 -5.896 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.931 -0.861 -4.871 1.00 0.00 N ATOM 0 H ASN A 99 17.646 2.301 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 99 20.185 3.630 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.989 1.411 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.476 1.651 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.586 -1.719 -5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.728 -0.893 -4.236 1.00 0.00 H new ATOM 1485 N ASP A 100 19.275 2.127 -7.596 1.00 0.00 N ATOM 1486 CA ASP A 100 19.629 1.910 -8.985 1.00 0.00 C ATOM 1487 C ASP A 100 20.172 3.198 -9.585 1.00 0.00 C ATOM 1488 O ASP A 100 21.045 3.163 -10.449 1.00 0.00 O ATOM 1489 CB ASP A 100 18.402 1.429 -9.753 1.00 0.00 C ATOM 1490 CG ASP A 100 17.880 2.518 -10.680 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.588 2.812 -11.667 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.782 3.037 -10.384 1.00 0.00 O ATOM 0 H ASP A 100 18.314 1.878 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 100 20.404 1.147 -9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.656 0.542 -10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.620 1.137 -9.052 1.00 0.00 H new ATOM 1497 N VAL A 101 19.652 4.339 -9.125 1.00 0.00 N ATOM 1498 CA VAL A 101 20.085 5.631 -9.618 1.00 0.00 C ATOM 1499 C VAL A 101 21.140 6.210 -8.685 1.00 0.00 C ATOM 1500 O VAL A 101 20.868 6.450 -7.511 1.00 0.00 O ATOM 1501 CB VAL A 101 18.883 6.564 -9.722 1.00 0.00 C ATOM 1502 CG1 VAL A 101 19.116 7.570 -10.845 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.629 5.747 -10.023 1.00 0.00 C ATOM 0 H VAL A 101 18.928 4.385 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 101 20.526 5.519 -10.608 1.00 0.00 H new ATOM 0 HB VAL A 101 18.753 7.095 -8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 101 18.257 8.237 -10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 101 20.011 8.154 -10.631 1.00 0.00 H new ATOM 0 HG13 VAL A 101 19.246 7.039 -11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.770 6.413 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.759 5.215 -10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.462 5.028 -9.221 1.00 0.00 H new ATOM 1513 N LEU A 102 22.345 6.436 -9.212 1.00 0.00 N ATOM 1514 CA LEU A 102 23.432 6.986 -8.426 1.00 0.00 C ATOM 1515 C LEU A 102 23.661 8.440 -8.809 1.00 0.00 C ATOM 1516 O LEU A 102 24.196 8.728 -9.878 1.00 0.00 O ATOM 1517 CB LEU A 102 24.695 6.160 -8.658 1.00 0.00 C ATOM 1518 CG LEU A 102 24.312 4.783 -9.190 1.00 0.00 C ATOM 1519 CD1 LEU A 102 23.195 4.198 -8.331 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.830 4.911 -10.633 1.00 0.00 C ATOM 0 H LEU A 102 22.585 6.243 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 102 23.177 6.946 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.348 6.667 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.253 6.060 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 102 25.180 4.125 -9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 102 22.921 3.214 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 102 23.538 4.106 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 102 22.326 4.855 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.556 3.927 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 102 22.962 5.569 -10.670 1.00 0.00 H new ATOM 0 HD23 LEU A 102 24.628 5.329 -11.247 1.00 0.00 H new ATOM 1532 N ILE A 103 23.255 9.360 -7.931 1.00 0.00 N ATOM 1533 CA ILE A 103 23.418 10.779 -8.177 1.00 0.00 C ATOM 1534 C ILE A 103 24.818 11.216 -7.768 1.00 0.00 C ATOM 1535 O ILE A 103 25.199 11.081 -6.607 1.00 0.00 O ATOM 1536 CB ILE A 103 22.361 11.556 -7.397 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.096 11.682 -8.243 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.892 12.947 -7.065 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.954 10.930 -7.566 1.00 0.00 C ATOM 0 H ILE A 103 22.809 9.137 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 103 23.290 10.984 -9.240 1.00 0.00 H new ATOM 0 HB ILE A 103 22.130 11.027 -6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.831 12.732 -8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.271 11.278 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.137 13.501 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.795 12.857 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.124 13.478 -7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.051 11.020 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.220 9.878 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.774 11.354 -6.578 1.00 0.00 H new ATOM 1551 N PHE A 104 25.587 11.740 -8.726 1.00 0.00 N ATOM 1552 CA PHE A 104 26.937 12.191 -8.459 1.00 0.00 C ATOM 1553 C PHE A 104 26.965 13.711 -8.366 1.00 0.00 C ATOM 1554 O PHE A 104 26.729 14.400 -9.356 1.00 0.00 O ATOM 1555 CB PHE A 104 27.865 11.699 -9.567 1.00 0.00 C ATOM 1556 CG PHE A 104 27.853 10.199 -9.741 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.728 9.566 -10.281 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.969 9.442 -9.365 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.718 8.175 -10.444 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.960 8.052 -9.528 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.834 7.419 -10.068 1.00 0.00 C ATOM 0 H PHE A 104 25.288 11.859 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 104 27.280 11.783 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.576 12.168 -10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.882 12.023 -9.349 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.867 10.150 -10.572 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.837 9.931 -8.949 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.849 7.686 -10.860 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.821 7.468 -9.237 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.827 6.346 -10.194 1.00 0.00 H new ATOM 1571 N SER A 105 27.256 14.231 -7.172 1.00 0.00 N ATOM 1572 CA SER A 105 27.315 15.663 -6.958 1.00 0.00 C ATOM 1573 C SER A 105 28.547 16.012 -6.135 1.00 0.00 C ATOM 1574 O SER A 105 28.769 15.439 -5.070 1.00 0.00 O ATOM 1575 CB SER A 105 26.043 16.123 -6.250 1.00 0.00 C ATOM 1576 OG SER A 105 26.184 15.932 -4.860 1.00 0.00 O ATOM 0 H SER A 105 27.454 13.673 -6.341 1.00 0.00 H new ATOM 0 HA SER A 105 27.387 16.175 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.854 17.174 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.185 15.562 -6.620 1.00 0.00 H new ATOM 0 HG SER A 105 27.001 15.422 -4.681 1.00 0.00 H new ATOM 1582 N ALA A 106 29.347 16.958 -6.630 1.00 0.00 N ATOM 1583 CA ALA A 106 30.551 17.379 -5.941 1.00 0.00 C ATOM 1584 C ALA A 106 30.548 18.892 -5.776 1.00 0.00 C ATOM 1585 O ALA A 106 31.193 19.603 -6.544 1.00 0.00 O ATOM 1586 CB ALA A 106 31.774 16.923 -6.731 1.00 0.00 C ATOM 0 H ALA A 106 29.175 17.444 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 106 30.586 16.926 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.680 17.239 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.766 15.837 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.751 17.367 -7.726 1.00 0.00 H new