USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 442 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 66 SER OG : rot 119:sc= 1.08 USER MOD Set 1.2: A 78 SER OG : rot 45:sc= 0.149 USER MOD Set 2.1: A 50 THR OG1 : rot 13:sc= -0.45 USER MOD Set 2.2: A 62 THR OG1 : rot 91:sc= 0.741 USER MOD Set 3.1: A 30 SER OG : rot -45:sc= 1.38 USER MOD Set 3.2: A 42 SER OG : rot -18:sc= -2.15! USER MOD Set 4.1: A 10 SER OG : rot -82:sc= 0.47 USER MOD Set 4.2: A 11 CYS SG : rot 43:sc= 0.00542 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.169 F(o=-2.2,f=-0.17) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.257 USER MOD Single : A 29 ASN : amide:sc= -5.55! C(o=-5.6!,f=-9.2!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.15) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 101:sc= -0.146! USER MOD Single : A 46 ASN : amide:sc= -2.77 K(o=-2.8,f=-9.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -40:sc= 0.552 USER MOD Single : A 53 ASN : amide:sc= -3 K(o=-3,f=-4.6!) USER MOD Single : A 54 SER OG : rot -179:sc= -2.41 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -3.16! USER MOD Single : A 68 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.034) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0.0646 (180deg=0.0623) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -4.953 15.166 -7.026 1.00 0.00 N ATOM 81 CA CYS A 8 -4.987 15.297 -5.573 1.00 0.00 C ATOM 82 C CYS A 8 -3.817 16.141 -5.075 1.00 0.00 C ATOM 83 O CYS A 8 -2.965 15.665 -4.325 1.00 0.00 O ATOM 84 CB CYS A 8 -4.965 13.913 -4.916 1.00 0.00 C ATOM 85 SG CYS A 8 -6.524 13.459 -4.091 1.00 0.00 S ATOM 0 HA CYS A 8 -5.912 15.803 -5.296 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.737 13.165 -5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.157 13.882 -4.185 1.00 0.00 H new ATOM 90 N THR A 9 -3.787 17.401 -5.494 1.00 0.00 N ATOM 91 CA THR A 9 -2.728 18.315 -5.087 1.00 0.00 C ATOM 92 C THR A 9 -3.031 18.910 -3.716 1.00 0.00 C ATOM 93 O THR A 9 -4.119 18.716 -3.173 1.00 0.00 O ATOM 94 CB THR A 9 -2.563 19.433 -6.118 1.00 0.00 C ATOM 95 OG1 THR A 9 -2.842 18.956 -7.424 1.00 0.00 O ATOM 96 CG2 THR A 9 -1.171 20.028 -6.134 1.00 0.00 C ATOM 0 H THR A 9 -4.484 17.812 -6.115 1.00 0.00 H new ATOM 0 HA THR A 9 -1.796 17.753 -5.025 1.00 0.00 H new ATOM 0 HB THR A 9 -3.270 20.208 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.733 19.686 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.120 20.815 -6.886 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.943 20.448 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.446 19.250 -6.373 1.00 0.00 H new ATOM 104 N SER A 10 -2.063 19.631 -3.160 1.00 0.00 N ATOM 105 CA SER A 10 -2.221 20.256 -1.848 1.00 0.00 C ATOM 106 C SER A 10 -2.131 19.215 -0.732 1.00 0.00 C ATOM 107 O SER A 10 -1.281 19.314 0.152 1.00 0.00 O ATOM 108 CB SER A 10 -3.553 21.011 -1.765 1.00 0.00 C ATOM 109 OG SER A 10 -4.574 20.203 -1.203 1.00 0.00 O ATOM 0 H SER A 10 -1.157 19.798 -3.598 1.00 0.00 H new ATOM 0 HA SER A 10 -1.408 20.970 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.426 21.910 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.851 21.335 -2.762 1.00 0.00 H new ATOM 0 HG SER A 10 -4.945 19.616 -1.895 1.00 0.00 H new ATOM 115 N CYS A 11 -3.013 18.219 -0.778 1.00 0.00 N ATOM 116 CA CYS A 11 -3.025 17.168 0.232 1.00 0.00 C ATOM 117 C CYS A 11 -1.883 16.183 0.004 1.00 0.00 C ATOM 118 O CYS A 11 -1.681 15.696 -1.109 1.00 0.00 O ATOM 119 CB CYS A 11 -4.365 16.430 0.210 1.00 0.00 C ATOM 120 SG CYS A 11 -5.786 17.456 0.708 1.00 0.00 S ATOM 0 H CYS A 11 -3.725 18.119 -1.501 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.889 17.632 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.541 16.048 -0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.303 15.567 0.873 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.685 18.632 0.163 1.00 0.00 H new ATOM 125 N THR A 12 -1.135 15.894 1.065 1.00 0.00 N ATOM 126 CA THR A 12 -0.013 14.968 0.981 1.00 0.00 C ATOM 127 C THR A 12 -0.225 13.777 1.909 1.00 0.00 C ATOM 128 O THR A 12 0.282 12.683 1.657 1.00 0.00 O ATOM 129 CB THR A 12 1.293 15.680 1.337 1.00 0.00 C ATOM 130 OG1 THR A 12 1.103 16.559 2.431 1.00 0.00 O ATOM 131 CG2 THR A 12 1.867 16.488 0.194 1.00 0.00 C ATOM 0 H THR A 12 -1.287 16.289 1.993 1.00 0.00 H new ATOM 0 HA THR A 12 0.050 14.603 -0.044 1.00 0.00 H new ATOM 0 HB THR A 12 1.995 14.885 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.950 17.003 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.792 16.966 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.073 15.829 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.150 17.251 -0.108 1.00 0.00 H new ATOM 139 N GLY A 13 -0.977 13.995 2.983 1.00 0.00 N ATOM 140 CA GLY A 13 -1.242 12.933 3.931 1.00 0.00 C ATOM 141 C GLY A 13 -1.887 11.724 3.282 1.00 0.00 C ATOM 142 O GLY A 13 -1.223 10.717 3.033 1.00 0.00 O ATOM 0 H GLY A 13 -1.408 14.891 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.308 12.632 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.893 13.309 4.720 1.00 0.00 H new ATOM 146 N ALA A 14 -3.183 11.825 3.008 1.00 0.00 N ATOM 147 CA ALA A 14 -3.919 10.733 2.384 1.00 0.00 C ATOM 148 C ALA A 14 -4.817 11.248 1.264 1.00 0.00 C ATOM 149 O ALA A 14 -5.414 12.319 1.375 1.00 0.00 O ATOM 150 CB ALA A 14 -4.743 9.990 3.425 1.00 0.00 C ATOM 0 H ALA A 14 -3.745 12.652 3.208 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.197 10.042 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.288 9.177 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.081 9.582 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.451 10.678 3.887 1.00 0.00 H new ATOM 156 N CYS A 15 -4.908 10.478 0.184 1.00 0.00 N ATOM 157 CA CYS A 15 -5.734 10.856 -0.955 1.00 0.00 C ATOM 158 C CYS A 15 -7.177 10.402 -0.749 1.00 0.00 C ATOM 159 O CYS A 15 -7.431 9.410 -0.065 1.00 0.00 O ATOM 160 CB CYS A 15 -5.169 10.251 -2.242 1.00 0.00 C ATOM 161 SG CYS A 15 -3.803 11.210 -2.976 1.00 0.00 S ATOM 0 H CYS A 15 -4.420 9.589 0.075 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.724 11.943 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.818 9.240 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.972 10.164 -2.974 1.00 0.00 H new ATOM 166 N THR A 16 -8.118 11.137 -1.334 1.00 0.00 N ATOM 167 CA THR A 16 -9.533 10.807 -1.201 1.00 0.00 C ATOM 168 C THR A 16 -10.192 10.624 -2.565 1.00 0.00 C ATOM 169 O THR A 16 -10.768 11.560 -3.119 1.00 0.00 O ATOM 170 CB THR A 16 -10.260 11.900 -0.417 1.00 0.00 C ATOM 171 OG1 THR A 16 -9.593 12.169 0.804 1.00 0.00 O ATOM 172 CG2 THR A 16 -11.694 11.544 -0.088 1.00 0.00 C ATOM 0 H THR A 16 -7.927 11.962 -1.903 1.00 0.00 H new ATOM 0 HA THR A 16 -9.605 9.864 -0.659 1.00 0.00 H new ATOM 0 HB THR A 16 -10.259 12.774 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.072 12.872 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.153 12.361 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.249 11.377 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.714 10.637 0.516 1.00 0.00 H new ATOM 180 N GLY A 17 -10.109 9.407 -3.097 1.00 0.00 N ATOM 181 CA GLY A 17 -10.708 9.112 -4.388 1.00 0.00 C ATOM 182 C GLY A 17 -10.383 10.151 -5.445 1.00 0.00 C ATOM 183 O GLY A 17 -11.205 11.018 -5.743 1.00 0.00 O ATOM 0 H GLY A 17 -9.636 8.618 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.362 8.136 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.790 9.045 -4.273 1.00 0.00 H new ATOM 187 N CYS A 18 -9.187 10.060 -6.013 1.00 0.00 N ATOM 188 CA CYS A 18 -8.757 10.997 -7.047 1.00 0.00 C ATOM 189 C CYS A 18 -7.960 10.277 -8.131 1.00 0.00 C ATOM 190 O CYS A 18 -8.435 10.105 -9.254 1.00 0.00 O ATOM 191 CB CYS A 18 -7.917 12.129 -6.440 1.00 0.00 C ATOM 192 SG CYS A 18 -7.010 11.674 -4.924 1.00 0.00 S ATOM 0 H CYS A 18 -8.497 9.348 -5.776 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.649 11.430 -7.500 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.201 12.473 -7.187 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.573 12.970 -6.216 1.00 0.00 H new ATOM 197 N GLY A 19 -6.750 9.853 -7.785 1.00 0.00 N ATOM 198 CA GLY A 19 -5.905 9.150 -8.732 1.00 0.00 C ATOM 199 C GLY A 19 -4.437 9.449 -8.515 1.00 0.00 C ATOM 200 O GLY A 19 -3.715 8.643 -7.928 1.00 0.00 O ATOM 0 H GLY A 19 -6.338 9.984 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.073 8.077 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.186 9.432 -9.747 1.00 0.00 H new ATOM 204 N ASN A 20 -3.993 10.613 -8.976 1.00 0.00 N ATOM 205 CA ASN A 20 -2.601 11.010 -8.817 1.00 0.00 C ATOM 206 C ASN A 20 -2.371 11.613 -7.436 1.00 0.00 C ATOM 207 O ASN A 20 -3.109 12.495 -6.998 1.00 0.00 O ATOM 208 CB ASN A 20 -2.200 12.007 -9.908 1.00 0.00 C ATOM 209 CG ASN A 20 -0.887 12.713 -9.613 1.00 0.00 C ATOM 210 OD1 ASN A 20 -0.797 13.938 -9.689 1.00 0.00 O ATOM 211 ND2 ASN A 20 0.138 11.939 -9.276 1.00 0.00 N ATOM 0 H ASN A 20 -4.575 11.295 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.977 10.121 -8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.118 11.482 -10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.989 12.751 -10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.045 12.356 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.018 10.927 -9.225 1.00 0.00 H new ATOM 218 N CYS A 21 -1.339 11.127 -6.758 1.00 0.00 N ATOM 219 CA CYS A 21 -1.002 11.610 -5.426 1.00 0.00 C ATOM 220 C CYS A 21 0.441 12.109 -5.382 1.00 0.00 C ATOM 221 O CYS A 21 1.258 11.737 -6.224 1.00 0.00 O ATOM 222 CB CYS A 21 -1.208 10.502 -4.391 1.00 0.00 C ATOM 223 SG CYS A 21 -2.930 9.910 -4.269 1.00 0.00 S ATOM 0 H CYS A 21 -0.720 10.397 -7.110 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.663 12.443 -5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.562 9.660 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.890 10.868 -3.415 1.00 0.00 H new ATOM 228 N PRO A 22 0.773 12.965 -4.401 1.00 0.00 N ATOM 229 CA PRO A 22 2.119 13.517 -4.258 1.00 0.00 C ATOM 230 C PRO A 22 3.068 12.563 -3.538 1.00 0.00 C ATOM 231 O PRO A 22 4.195 12.343 -3.981 1.00 0.00 O ATOM 232 CB PRO A 22 1.882 14.774 -3.427 1.00 0.00 C ATOM 233 CG PRO A 22 0.701 14.451 -2.576 1.00 0.00 C ATOM 234 CD PRO A 22 -0.141 13.468 -3.355 1.00 0.00 C ATOM 0 HA PRO A 22 2.595 13.704 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.753 15.016 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.687 15.638 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.016 14.022 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.131 15.352 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.503 12.660 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.018 13.949 -3.789 1.00 0.00 H new ATOM 242 N ASN A 23 2.604 12.002 -2.426 1.00 0.00 N ATOM 243 CA ASN A 23 3.411 11.072 -1.643 1.00 0.00 C ATOM 244 C ASN A 23 2.611 10.515 -0.470 1.00 0.00 C ATOM 245 O ASN A 23 3.150 10.289 0.613 1.00 0.00 O ATOM 246 CB ASN A 23 4.682 11.761 -1.136 1.00 0.00 C ATOM 247 CG ASN A 23 4.403 12.772 -0.038 1.00 0.00 C ATOM 248 OD1 ASN A 23 3.636 13.806 -0.361 1.00 0.00 O flip ATOM 249 ND2 ASN A 23 4.871 12.621 1.091 1.00 0.00 N flip ATOM 0 H ASN A 23 1.673 12.175 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 23 3.696 10.243 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.375 11.007 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.175 12.262 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.456 11.811 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.674 13.306 1.821 1.00 0.00 H new ATOM 256 N ALA A 24 1.320 10.298 -0.695 1.00 0.00 N ATOM 257 CA ALA A 24 0.440 9.771 0.340 1.00 0.00 C ATOM 258 C ALA A 24 0.668 8.279 0.552 1.00 0.00 C ATOM 259 O ALA A 24 0.754 7.511 -0.406 1.00 0.00 O ATOM 260 CB ALA A 24 -1.014 10.038 -0.021 1.00 0.00 C ATOM 0 H ALA A 24 0.859 10.479 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 24 0.673 10.282 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.662 9.640 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.175 11.112 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.248 9.554 -0.969 1.00 0.00 H new ATOM 266 N VAL A 25 0.762 7.874 1.815 1.00 0.00 N ATOM 267 CA VAL A 25 0.976 6.471 2.155 1.00 0.00 C ATOM 268 C VAL A 25 -0.340 5.699 2.194 1.00 0.00 C ATOM 269 O VAL A 25 -0.347 4.468 2.217 1.00 0.00 O ATOM 270 CB VAL A 25 1.687 6.320 3.513 1.00 0.00 C ATOM 271 CG1 VAL A 25 3.161 6.671 3.387 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.014 7.180 4.569 1.00 0.00 C ATOM 0 H VAL A 25 0.693 8.497 2.620 1.00 0.00 H new ATOM 0 HA VAL A 25 1.611 6.056 1.372 1.00 0.00 H new ATOM 0 HB VAL A 25 1.612 5.279 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.646 6.558 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.633 6.005 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.262 7.702 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.531 7.059 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.053 8.226 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.026 6.873 4.680 1.00 0.00 H new ATOM 282 N THR A 26 -1.455 6.425 2.199 1.00 0.00 N ATOM 283 CA THR A 26 -2.773 5.801 2.232 1.00 0.00 C ATOM 284 C THR A 26 -3.748 6.563 1.343 1.00 0.00 C ATOM 285 O THR A 26 -3.841 7.789 1.415 1.00 0.00 O ATOM 286 CB THR A 26 -3.305 5.743 3.666 1.00 0.00 C ATOM 287 OG1 THR A 26 -2.313 6.157 4.588 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.764 4.361 4.078 1.00 0.00 C ATOM 0 H THR A 26 -1.471 7.445 2.181 1.00 0.00 H new ATOM 0 HA THR A 26 -2.677 4.783 1.854 1.00 0.00 H new ATOM 0 HB THR A 26 -4.163 6.415 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.674 6.114 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.129 4.390 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.566 4.032 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.928 3.665 4.010 1.00 0.00 H new ATOM 296 N CYS A 27 -4.472 5.832 0.501 1.00 0.00 N ATOM 297 CA CYS A 27 -5.436 6.445 -0.405 1.00 0.00 C ATOM 298 C CYS A 27 -6.826 5.849 -0.223 1.00 0.00 C ATOM 299 O CYS A 27 -6.974 4.686 0.155 1.00 0.00 O ATOM 300 CB CYS A 27 -5.003 6.262 -1.862 1.00 0.00 C ATOM 301 SG CYS A 27 -3.209 6.409 -2.143 1.00 0.00 S ATOM 0 H CYS A 27 -4.409 4.817 0.428 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.472 7.508 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.332 5.281 -2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.516 7.003 -2.476 1.00 0.00 H new ATOM 306 N THR A 28 -7.841 6.652 -0.517 1.00 0.00 N ATOM 307 CA THR A 28 -9.223 6.209 -0.413 1.00 0.00 C ATOM 308 C THR A 28 -9.812 6.027 -1.807 1.00 0.00 C ATOM 309 O THR A 28 -10.444 6.935 -2.346 1.00 0.00 O ATOM 310 CB THR A 28 -10.053 7.217 0.384 1.00 0.00 C ATOM 311 OG1 THR A 28 -9.345 7.655 1.530 1.00 0.00 O ATOM 312 CG2 THR A 28 -11.381 6.662 0.849 1.00 0.00 C ATOM 0 H THR A 28 -7.731 7.616 -0.830 1.00 0.00 H new ATOM 0 HA THR A 28 -9.247 5.255 0.113 1.00 0.00 H new ATOM 0 HB THR A 28 -10.242 8.043 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.651 8.293 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.920 7.427 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.972 6.360 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.210 5.798 1.491 1.00 0.00 H new ATOM 320 N ASN A 29 -9.571 4.854 -2.392 1.00 0.00 N ATOM 321 CA ASN A 29 -10.034 4.530 -3.724 1.00 0.00 C ATOM 322 C ASN A 29 -9.079 5.128 -4.752 1.00 0.00 C ATOM 323 O ASN A 29 -7.862 5.103 -4.569 1.00 0.00 O ATOM 324 CB ASN A 29 -11.474 5.030 -3.939 1.00 0.00 C ATOM 325 CG ASN A 29 -12.391 4.683 -2.782 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.865 3.552 -2.669 1.00 0.00 O ATOM 327 ND2 ASN A 29 -12.648 5.656 -1.917 1.00 0.00 N ATOM 0 H ASN A 29 -9.045 4.103 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.046 3.447 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.462 6.111 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.872 4.596 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.260 5.481 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.234 6.579 -2.049 1.00 0.00 H new ATOM 334 N SER A 30 -9.641 5.657 -5.819 1.00 0.00 N ATOM 335 CA SER A 30 -8.872 6.275 -6.903 1.00 0.00 C ATOM 336 C SER A 30 -8.351 5.230 -7.886 1.00 0.00 C ATOM 337 O SER A 30 -8.693 4.053 -7.796 1.00 0.00 O ATOM 338 CB SER A 30 -7.704 7.091 -6.337 1.00 0.00 C ATOM 339 OG SER A 30 -6.519 6.316 -6.262 1.00 0.00 O ATOM 0 H SER A 30 -10.650 5.675 -5.969 1.00 0.00 H new ATOM 0 HA SER A 30 -9.544 6.942 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.530 7.964 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.963 7.459 -5.344 1.00 0.00 H new ATOM 0 HG SER A 30 -6.728 5.433 -5.892 1.00 0.00 H new ATOM 345 N GLN A 31 -7.542 5.674 -8.844 1.00 0.00 N ATOM 346 CA GLN A 31 -6.998 4.772 -9.855 1.00 0.00 C ATOM 347 C GLN A 31 -5.543 5.098 -10.194 1.00 0.00 C ATOM 348 O GLN A 31 -5.205 5.288 -11.363 1.00 0.00 O ATOM 349 CB GLN A 31 -7.847 4.832 -11.128 1.00 0.00 C ATOM 350 CG GLN A 31 -8.351 6.227 -11.472 1.00 0.00 C ATOM 351 CD GLN A 31 -7.848 6.713 -12.819 1.00 0.00 C ATOM 352 OE1 GLN A 31 -8.395 6.359 -13.863 1.00 0.00 O ATOM 353 NE2 GLN A 31 -6.801 7.529 -12.801 1.00 0.00 N ATOM 0 H GLN A 31 -7.250 6.646 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.026 3.765 -9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.258 4.454 -11.963 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.702 4.166 -11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.441 6.225 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.035 6.925 -10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.378 7.797 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.419 7.888 -13.676 1.00 0.00 H new ATOM 362 N HIS A 32 -4.675 5.153 -9.185 1.00 0.00 N ATOM 363 CA HIS A 32 -3.263 5.447 -9.430 1.00 0.00 C ATOM 364 C HIS A 32 -2.453 5.515 -8.137 1.00 0.00 C ATOM 365 O HIS A 32 -1.541 6.334 -8.018 1.00 0.00 O ATOM 366 CB HIS A 32 -3.111 6.761 -10.203 1.00 0.00 C ATOM 367 CG HIS A 32 -2.141 6.674 -11.341 1.00 0.00 C ATOM 368 ND1 HIS A 32 -1.455 7.766 -11.829 1.00 0.00 N ATOM 369 CD2 HIS A 32 -1.743 5.616 -12.088 1.00 0.00 C ATOM 370 CE1 HIS A 32 -0.676 7.384 -12.825 1.00 0.00 C ATOM 371 NE2 HIS A 32 -0.831 6.085 -13.002 1.00 0.00 N ATOM 0 H HIS A 32 -4.918 5.001 -8.206 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.869 4.625 -10.028 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.085 7.062 -10.588 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.785 7.542 -9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.080 4.595 -11.984 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.023 8.026 -13.398 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.351 5.521 -13.704 1.00 0.00 H new ATOM 380 N CYS A 33 -2.767 4.652 -7.176 1.00 0.00 N ATOM 381 CA CYS A 33 -2.030 4.635 -5.916 1.00 0.00 C ATOM 382 C CYS A 33 -1.249 3.333 -5.771 1.00 0.00 C ATOM 383 O CYS A 33 -1.478 2.550 -4.849 1.00 0.00 O ATOM 384 CB CYS A 33 -2.978 4.834 -4.733 1.00 0.00 C ATOM 385 SG CYS A 33 -3.067 6.562 -4.160 1.00 0.00 S ATOM 0 H CYS A 33 -3.517 3.963 -7.243 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.319 5.461 -5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.976 4.501 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.654 4.201 -3.907 1.00 0.00 H new ATOM 390 N VAL A 34 -0.328 3.114 -6.705 1.00 0.00 N ATOM 391 CA VAL A 34 0.500 1.914 -6.718 1.00 0.00 C ATOM 392 C VAL A 34 1.505 1.911 -5.573 1.00 0.00 C ATOM 393 O VAL A 34 1.815 0.864 -5.006 1.00 0.00 O ATOM 394 CB VAL A 34 1.273 1.794 -8.046 1.00 0.00 C ATOM 395 CG1 VAL A 34 0.314 1.822 -9.226 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.312 2.904 -8.164 1.00 0.00 C ATOM 0 H VAL A 34 -0.136 3.760 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.176 1.067 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 34 1.796 0.838 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.878 1.736 -10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.384 0.989 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.239 2.761 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.847 2.802 -9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.814 3.873 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.018 2.831 -7.337 1.00 0.00 H new ATOM 406 N LYS A 35 2.028 3.087 -5.255 1.00 0.00 N ATOM 407 CA LYS A 35 3.017 3.221 -4.199 1.00 0.00 C ATOM 408 C LYS A 35 2.367 3.599 -2.866 1.00 0.00 C ATOM 409 O LYS A 35 2.975 4.282 -2.041 1.00 0.00 O ATOM 410 CB LYS A 35 4.069 4.257 -4.610 1.00 0.00 C ATOM 411 CG LYS A 35 3.708 5.693 -4.254 1.00 0.00 C ATOM 412 CD LYS A 35 4.165 6.666 -5.330 1.00 0.00 C ATOM 413 CE LYS A 35 5.673 6.620 -5.521 1.00 0.00 C ATOM 414 NZ LYS A 35 6.350 7.778 -4.874 1.00 0.00 N ATOM 0 H LYS A 35 1.782 3.963 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 35 3.504 2.256 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.016 4.004 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.226 4.191 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.629 5.776 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.167 5.959 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.671 6.427 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.862 7.678 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.064 5.692 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.904 6.613 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.376 7.710 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.996 8.663 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.151 7.771 -3.853 1.00 0.00 H new ATOM 428 N ALA A 36 1.136 3.143 -2.660 1.00 0.00 N ATOM 429 CA ALA A 36 0.411 3.428 -1.426 1.00 0.00 C ATOM 430 C ALA A 36 0.466 2.239 -0.472 1.00 0.00 C ATOM 431 O ALA A 36 0.398 1.085 -0.896 1.00 0.00 O ATOM 432 CB ALA A 36 -1.034 3.795 -1.732 1.00 0.00 C ATOM 0 H ALA A 36 0.619 2.575 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 36 0.893 4.276 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.561 4.005 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.058 4.679 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.520 2.965 -2.245 1.00 0.00 H new ATOM 438 N ASN A 37 0.590 2.529 0.820 1.00 0.00 N ATOM 439 CA ASN A 37 0.655 1.485 1.838 1.00 0.00 C ATOM 440 C ASN A 37 -0.622 0.652 1.849 1.00 0.00 C ATOM 441 O ASN A 37 -0.587 -0.552 2.104 1.00 0.00 O ATOM 442 CB ASN A 37 0.879 2.108 3.216 1.00 0.00 C ATOM 443 CG ASN A 37 1.689 1.212 4.132 1.00 0.00 C ATOM 444 OD1 ASN A 37 1.668 -0.012 4.000 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.405 1.819 5.072 1.00 0.00 N ATOM 0 H ASN A 37 0.648 3.479 1.187 1.00 0.00 H new ATOM 0 HA ASN A 37 1.492 0.829 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.391 3.063 3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.086 2.318 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.967 1.268 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.393 2.836 5.145 1.00 0.00 H new ATOM 452 N THR A 38 -1.749 1.300 1.573 1.00 0.00 N ATOM 453 CA THR A 38 -3.039 0.618 1.552 1.00 0.00 C ATOM 454 C THR A 38 -4.044 1.386 0.699 1.00 0.00 C ATOM 455 O THR A 38 -3.990 2.613 0.617 1.00 0.00 O ATOM 456 CB THR A 38 -3.579 0.453 2.976 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.709 1.055 3.919 1.00 0.00 O ATOM 458 CG2 THR A 38 -3.763 -0.994 3.381 1.00 0.00 C ATOM 0 H THR A 38 -1.796 2.297 1.361 1.00 0.00 H new ATOM 0 HA THR A 38 -2.893 -0.369 1.112 1.00 0.00 H new ATOM 0 HB THR A 38 -4.553 0.941 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.074 0.939 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.148 -1.041 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.469 -1.474 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.804 -1.510 3.331 1.00 0.00 H new ATOM 466 N CYS A 39 -4.959 0.658 0.068 1.00 0.00 N ATOM 467 CA CYS A 39 -5.974 1.279 -0.775 1.00 0.00 C ATOM 468 C CYS A 39 -7.289 0.510 -0.705 1.00 0.00 C ATOM 469 O CYS A 39 -7.308 -0.719 -0.777 1.00 0.00 O ATOM 470 CB CYS A 39 -5.493 1.354 -2.225 1.00 0.00 C ATOM 471 SG CYS A 39 -4.622 -0.137 -2.800 1.00 0.00 S ATOM 0 H CYS A 39 -5.019 -0.359 0.124 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.144 2.290 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.352 1.532 -2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.830 2.213 -2.332 1.00 0.00 H new ATOM 476 N THR A 40 -8.385 1.246 -0.570 1.00 0.00 N ATOM 477 CA THR A 40 -9.711 0.645 -0.495 1.00 0.00 C ATOM 478 C THR A 40 -10.603 1.188 -1.607 1.00 0.00 C ATOM 479 O THR A 40 -11.047 2.333 -1.554 1.00 0.00 O ATOM 480 CB THR A 40 -10.346 0.926 0.869 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.393 0.770 1.906 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.518 0.022 1.182 1.00 0.00 C ATOM 0 H THR A 40 -8.382 2.264 -0.510 1.00 0.00 H new ATOM 0 HA THR A 40 -9.609 -0.433 -0.620 1.00 0.00 H new ATOM 0 HB THR A 40 -10.706 1.953 0.814 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.817 0.955 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.921 0.275 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.292 0.155 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.187 -1.016 1.183 1.00 0.00 H new ATOM 490 N GLY A 41 -10.852 0.361 -2.617 1.00 0.00 N ATOM 491 CA GLY A 41 -11.680 0.783 -3.730 1.00 0.00 C ATOM 492 C GLY A 41 -10.898 1.548 -4.770 1.00 0.00 C ATOM 493 O GLY A 41 -11.376 2.549 -5.300 1.00 0.00 O ATOM 0 H GLY A 41 -10.496 -0.592 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.136 -0.092 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.493 1.407 -3.359 1.00 0.00 H new ATOM 497 N SER A 42 -9.703 1.071 -5.076 1.00 0.00 N ATOM 498 CA SER A 42 -8.864 1.710 -6.068 1.00 0.00 C ATOM 499 C SER A 42 -8.455 0.655 -7.071 1.00 0.00 C ATOM 500 O SER A 42 -9.160 -0.334 -7.220 1.00 0.00 O ATOM 501 CB SER A 42 -7.626 2.341 -5.413 1.00 0.00 C ATOM 502 OG SER A 42 -7.156 3.448 -6.159 1.00 0.00 O ATOM 0 H SER A 42 -9.294 0.240 -4.648 1.00 0.00 H new ATOM 0 HA SER A 42 -9.412 2.513 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.871 2.660 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.836 1.595 -5.330 1.00 0.00 H new ATOM 0 HG SER A 42 -7.521 3.409 -7.068 1.00 0.00 H new ATOM 508 N THR A 43 -7.335 0.843 -7.752 1.00 0.00 N ATOM 509 CA THR A 43 -6.886 -0.155 -8.710 1.00 0.00 C ATOM 510 C THR A 43 -5.365 -0.306 -8.697 1.00 0.00 C ATOM 511 O THR A 43 -4.833 -1.190 -8.030 1.00 0.00 O ATOM 512 CB THR A 43 -7.433 0.150 -10.098 1.00 0.00 C ATOM 513 OG1 THR A 43 -6.632 1.097 -10.780 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.852 0.679 -10.060 1.00 0.00 C ATOM 0 H THR A 43 -6.731 1.660 -7.663 1.00 0.00 H new ATOM 0 HA THR A 43 -7.288 -1.123 -8.410 1.00 0.00 H new ATOM 0 HB THR A 43 -7.419 -0.803 -10.628 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.052 0.634 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.193 0.880 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.504 -0.062 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.881 1.601 -9.479 1.00 0.00 H new ATOM 522 N ASP A 44 -4.679 0.566 -9.431 1.00 0.00 N ATOM 523 CA ASP A 44 -3.223 0.552 -9.509 1.00 0.00 C ATOM 524 C ASP A 44 -2.615 0.517 -8.114 1.00 0.00 C ATOM 525 O ASP A 44 -2.232 1.543 -7.553 1.00 0.00 O ATOM 526 CB ASP A 44 -2.720 1.776 -10.277 1.00 0.00 C ATOM 527 CG ASP A 44 -1.735 1.403 -11.368 1.00 0.00 C ATOM 528 OD1 ASP A 44 -1.837 0.278 -11.900 1.00 0.00 O ATOM 529 OD2 ASP A 44 -0.862 2.236 -11.690 1.00 0.00 O ATOM 0 H ASP A 44 -5.117 1.301 -9.987 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.914 -0.346 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.568 2.299 -10.719 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.245 2.469 -9.582 1.00 0.00 H new ATOM 534 N CYS A 45 -2.560 -0.680 -7.565 1.00 0.00 N ATOM 535 CA CYS A 45 -2.032 -0.906 -6.223 1.00 0.00 C ATOM 536 C CYS A 45 -1.088 -2.105 -6.200 1.00 0.00 C ATOM 537 O CYS A 45 -1.488 -3.209 -5.835 1.00 0.00 O ATOM 538 CB CYS A 45 -3.186 -1.165 -5.259 1.00 0.00 C ATOM 539 SG CYS A 45 -4.038 0.339 -4.684 1.00 0.00 S ATOM 0 H CYS A 45 -2.879 -1.528 -8.033 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.478 -0.018 -5.921 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.912 -1.815 -5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.805 -1.706 -4.393 1.00 0.00 H new ATOM 544 N ASN A 46 0.165 -1.884 -6.587 1.00 0.00 N ATOM 545 CA ASN A 46 1.153 -2.958 -6.605 1.00 0.00 C ATOM 546 C ASN A 46 1.809 -3.137 -5.236 1.00 0.00 C ATOM 547 O ASN A 46 2.035 -4.263 -4.791 1.00 0.00 O ATOM 548 CB ASN A 46 2.216 -2.687 -7.676 1.00 0.00 C ATOM 549 CG ASN A 46 3.203 -1.607 -7.270 1.00 0.00 C ATOM 550 OD1 ASN A 46 2.822 -0.579 -6.712 1.00 0.00 O ATOM 551 ND2 ASN A 46 4.480 -1.840 -7.548 1.00 0.00 N ATOM 0 H ASN A 46 0.519 -0.977 -6.891 1.00 0.00 H new ATOM 0 HA ASN A 46 0.634 -3.885 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.759 -3.609 -7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.724 -2.392 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.190 -1.152 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.751 -2.707 -8.012 1.00 0.00 H new ATOM 558 N THR A 47 2.117 -2.027 -4.573 1.00 0.00 N ATOM 559 CA THR A 47 2.751 -2.078 -3.258 1.00 0.00 C ATOM 560 C THR A 47 1.724 -2.360 -2.162 1.00 0.00 C ATOM 561 O THR A 47 2.049 -2.945 -1.129 1.00 0.00 O ATOM 562 CB THR A 47 3.495 -0.767 -2.969 1.00 0.00 C ATOM 563 OG1 THR A 47 4.581 -0.994 -2.088 1.00 0.00 O ATOM 564 CG2 THR A 47 2.624 0.309 -2.353 1.00 0.00 C ATOM 0 H THR A 47 1.939 -1.085 -4.922 1.00 0.00 H new ATOM 0 HA THR A 47 3.472 -2.896 -3.264 1.00 0.00 H new ATOM 0 HB THR A 47 3.835 -0.414 -3.943 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.045 -0.148 -1.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.221 1.204 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.804 0.546 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.220 -0.048 -1.406 1.00 0.00 H new ATOM 572 N ALA A 48 0.485 -1.934 -2.394 1.00 0.00 N ATOM 573 CA ALA A 48 -0.591 -2.135 -1.427 1.00 0.00 C ATOM 574 C ALA A 48 -0.621 -3.571 -0.912 1.00 0.00 C ATOM 575 O ALA A 48 -0.558 -4.523 -1.690 1.00 0.00 O ATOM 576 CB ALA A 48 -1.930 -1.773 -2.052 1.00 0.00 C ATOM 0 H ALA A 48 0.201 -1.447 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.402 -1.481 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.725 -1.926 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.917 -0.728 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.108 -2.405 -2.922 1.00 0.00 H new ATOM 582 N GLN A 49 -0.720 -3.719 0.406 1.00 0.00 N ATOM 583 CA GLN A 49 -0.762 -5.041 1.025 1.00 0.00 C ATOM 584 C GLN A 49 -2.184 -5.597 1.052 1.00 0.00 C ATOM 585 O GLN A 49 -2.419 -6.684 1.579 1.00 0.00 O ATOM 586 CB GLN A 49 -0.202 -4.977 2.448 1.00 0.00 C ATOM 587 CG GLN A 49 0.252 -6.325 2.985 1.00 0.00 C ATOM 588 CD GLN A 49 0.780 -6.241 4.405 1.00 0.00 C ATOM 589 OE1 GLN A 49 1.935 -5.879 4.628 1.00 0.00 O ATOM 590 NE2 GLN A 49 -0.065 -6.577 5.373 1.00 0.00 N ATOM 0 H GLN A 49 -0.773 -2.942 1.065 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.146 -5.710 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.640 -4.285 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.965 -4.569 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.583 -7.024 2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.030 -6.727 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.014 -6.871 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.235 -6.541 6.347 1.00 0.00 H new ATOM 599 N THR A 50 -3.131 -4.852 0.486 1.00 0.00 N ATOM 600 CA THR A 50 -4.522 -5.286 0.454 1.00 0.00 C ATOM 601 C THR A 50 -5.391 -4.311 -0.341 1.00 0.00 C ATOM 602 O THR A 50 -4.974 -3.193 -0.642 1.00 0.00 O ATOM 603 CB THR A 50 -5.055 -5.436 1.880 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.204 -6.265 1.906 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.426 -4.122 2.532 1.00 0.00 C ATOM 0 H THR A 50 -2.960 -3.948 0.045 1.00 0.00 H new ATOM 0 HA THR A 50 -4.565 -6.253 -0.047 1.00 0.00 H new ATOM 0 HB THR A 50 -4.233 -5.879 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.295 -6.725 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.796 -4.308 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.547 -3.479 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.203 -3.631 1.946 1.00 0.00 H new ATOM 613 N CYS A 51 -6.603 -4.747 -0.670 1.00 0.00 N ATOM 614 CA CYS A 51 -7.539 -3.920 -1.425 1.00 0.00 C ATOM 615 C CYS A 51 -8.948 -4.501 -1.354 1.00 0.00 C ATOM 616 O CYS A 51 -9.141 -5.623 -0.886 1.00 0.00 O ATOM 617 CB CYS A 51 -7.095 -3.810 -2.885 1.00 0.00 C ATOM 618 SG CYS A 51 -6.700 -5.409 -3.663 1.00 0.00 S ATOM 0 H CYS A 51 -6.961 -5.670 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.548 -2.925 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.884 -3.324 -3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.218 -3.165 -2.940 1.00 0.00 H new ATOM 623 N THR A 52 -9.931 -3.732 -1.816 1.00 0.00 N ATOM 624 CA THR A 52 -11.321 -4.181 -1.798 1.00 0.00 C ATOM 625 C THR A 52 -11.993 -3.997 -3.161 1.00 0.00 C ATOM 626 O THR A 52 -13.196 -4.215 -3.299 1.00 0.00 O ATOM 627 CB THR A 52 -12.108 -3.425 -0.724 1.00 0.00 C ATOM 628 OG1 THR A 52 -13.380 -4.016 -0.524 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.328 -1.964 -1.056 1.00 0.00 C ATOM 0 H THR A 52 -9.792 -2.800 -2.206 1.00 0.00 H new ATOM 0 HA THR A 52 -11.319 -5.246 -1.565 1.00 0.00 H new ATOM 0 HB THR A 52 -11.497 -3.487 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.756 -4.284 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.892 -1.489 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.364 -1.467 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.887 -1.883 -1.988 1.00 0.00 H new ATOM 637 N ASN A 53 -11.215 -3.598 -4.165 1.00 0.00 N ATOM 638 CA ASN A 53 -11.746 -3.391 -5.509 1.00 0.00 C ATOM 639 C ASN A 53 -10.684 -2.804 -6.437 1.00 0.00 C ATOM 640 O ASN A 53 -10.982 -1.951 -7.273 1.00 0.00 O ATOM 641 CB ASN A 53 -12.969 -2.467 -5.464 1.00 0.00 C ATOM 642 CG ASN A 53 -14.172 -3.067 -6.165 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.219 -3.279 -5.554 1.00 0.00 O ATOM 644 ND2 ASN A 53 -14.026 -3.345 -7.454 1.00 0.00 N ATOM 0 H ASN A 53 -10.216 -3.412 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.046 -4.362 -5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.224 -2.257 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.718 -1.514 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.800 -3.751 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.139 -3.152 -7.920 1.00 0.00 H new ATOM 651 N SER A 54 -9.445 -3.265 -6.287 1.00 0.00 N ATOM 652 CA SER A 54 -8.347 -2.780 -7.116 1.00 0.00 C ATOM 653 C SER A 54 -8.089 -3.714 -8.292 1.00 0.00 C ATOM 654 O SER A 54 -8.858 -4.641 -8.540 1.00 0.00 O ATOM 655 CB SER A 54 -7.077 -2.617 -6.279 1.00 0.00 C ATOM 656 OG SER A 54 -6.767 -1.248 -6.084 1.00 0.00 O ATOM 0 H SER A 54 -9.177 -3.971 -5.601 1.00 0.00 H new ATOM 0 HA SER A 54 -8.633 -1.807 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.209 -3.104 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.244 -3.115 -6.776 1.00 0.00 H new ATOM 0 HG SER A 54 -5.941 -1.171 -5.563 1.00 0.00 H new ATOM 662 N LYS A 55 -7.011 -3.455 -9.027 1.00 0.00 N ATOM 663 CA LYS A 55 -6.670 -4.272 -10.186 1.00 0.00 C ATOM 664 C LYS A 55 -5.162 -4.475 -10.322 1.00 0.00 C ATOM 665 O LYS A 55 -4.675 -4.814 -11.400 1.00 0.00 O ATOM 666 CB LYS A 55 -7.211 -3.614 -11.455 1.00 0.00 C ATOM 667 CG LYS A 55 -8.701 -3.828 -11.666 1.00 0.00 C ATOM 668 CD LYS A 55 -9.363 -2.597 -12.266 1.00 0.00 C ATOM 669 CE LYS A 55 -8.957 -2.397 -13.717 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.914 -3.044 -14.657 1.00 0.00 N ATOM 0 H LYS A 55 -6.362 -2.690 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.126 -5.252 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.009 -2.544 -11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.671 -4.007 -12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.857 -4.683 -12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.173 -4.068 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.446 -2.697 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.089 -1.716 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.900 -1.330 -13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.960 -2.808 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.601 -2.884 -15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.950 -4.066 -14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.861 -2.634 -14.525 1.00 0.00 H new ATOM 684 N ASP A 56 -4.420 -4.270 -9.237 1.00 0.00 N ATOM 685 CA ASP A 56 -2.971 -4.440 -9.277 1.00 0.00 C ATOM 686 C ASP A 56 -2.409 -4.909 -7.935 1.00 0.00 C ATOM 687 O ASP A 56 -1.220 -4.740 -7.668 1.00 0.00 O ATOM 688 CB ASP A 56 -2.293 -3.136 -9.703 1.00 0.00 C ATOM 689 CG ASP A 56 -1.645 -3.241 -11.070 1.00 0.00 C ATOM 690 OD1 ASP A 56 -2.239 -3.882 -11.962 1.00 0.00 O ATOM 691 OD2 ASP A 56 -0.543 -2.681 -11.249 1.00 0.00 O ATOM 0 H ASP A 56 -4.792 -3.989 -8.330 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.757 -5.216 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.030 -2.333 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.537 -2.865 -8.966 1.00 0.00 H new ATOM 696 N CYS A 57 -3.255 -5.498 -7.095 1.00 0.00 N ATOM 697 CA CYS A 57 -2.809 -5.982 -5.787 1.00 0.00 C ATOM 698 C CYS A 57 -2.078 -7.316 -5.915 1.00 0.00 C ATOM 699 O CYS A 57 -2.497 -8.324 -5.346 1.00 0.00 O ATOM 700 CB CYS A 57 -3.991 -6.126 -4.823 1.00 0.00 C ATOM 701 SG CYS A 57 -5.336 -4.929 -5.086 1.00 0.00 S ATOM 0 H CYS A 57 -4.244 -5.652 -7.291 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.117 -5.243 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.396 -7.134 -4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.624 -6.022 -3.802 1.00 0.00 H new ATOM 706 N PHE A 58 -0.980 -7.308 -6.664 1.00 0.00 N ATOM 707 CA PHE A 58 -0.183 -8.512 -6.872 1.00 0.00 C ATOM 708 C PHE A 58 0.430 -8.998 -5.561 1.00 0.00 C ATOM 709 O PHE A 58 0.637 -10.196 -5.368 1.00 0.00 O ATOM 710 CB PHE A 58 0.929 -8.247 -7.892 1.00 0.00 C ATOM 711 CG PHE A 58 0.519 -7.405 -9.035 1.00 0.00 C ATOM 712 CD1 PHE A 58 -0.087 -7.974 -10.135 1.00 0.00 C ATOM 713 CD2 PHE A 58 0.763 -6.046 -9.020 1.00 0.00 C ATOM 714 CE1 PHE A 58 -0.449 -7.199 -11.205 1.00 0.00 C ATOM 715 CE2 PHE A 58 0.410 -5.268 -10.088 1.00 0.00 C ATOM 716 CZ PHE A 58 -0.196 -5.847 -11.177 1.00 0.00 C ATOM 0 H PHE A 58 -0.621 -6.479 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.846 -9.288 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.765 -7.767 -7.384 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.293 -9.202 -8.271 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.277 -9.037 -10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.235 -5.595 -8.160 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.929 -7.646 -12.063 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.606 -4.206 -10.076 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.477 -5.234 -12.020 1.00 0.00 H new ATOM 726 N GLU A 59 0.726 -8.061 -4.665 1.00 0.00 N ATOM 727 CA GLU A 59 1.322 -8.398 -3.376 1.00 0.00 C ATOM 728 C GLU A 59 0.413 -7.980 -2.225 1.00 0.00 C ATOM 729 O GLU A 59 0.846 -7.301 -1.293 1.00 0.00 O ATOM 730 CB GLU A 59 2.690 -7.726 -3.235 1.00 0.00 C ATOM 731 CG GLU A 59 3.831 -8.540 -3.823 1.00 0.00 C ATOM 732 CD GLU A 59 4.099 -8.203 -5.276 1.00 0.00 C ATOM 733 OE1 GLU A 59 3.930 -7.024 -5.652 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.477 -9.118 -6.038 1.00 0.00 O ATOM 0 H GLU A 59 0.563 -7.064 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 59 1.449 -9.480 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.659 -6.752 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.890 -7.546 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.735 -8.365 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.597 -9.601 -3.737 1.00 0.00 H new ATOM 741 N ALA A 60 -0.850 -8.388 -2.294 1.00 0.00 N ATOM 742 CA ALA A 60 -1.817 -8.054 -1.257 1.00 0.00 C ATOM 743 C ALA A 60 -2.273 -9.298 -0.507 1.00 0.00 C ATOM 744 O ALA A 60 -2.322 -10.393 -1.070 1.00 0.00 O ATOM 745 CB ALA A 60 -3.018 -7.342 -1.859 1.00 0.00 C ATOM 0 H ALA A 60 -1.227 -8.950 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.326 -7.387 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.730 -7.100 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.690 -6.424 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.496 -7.991 -2.593 1.00 0.00 H new ATOM 751 N ASN A 61 -2.612 -9.120 0.763 1.00 0.00 N ATOM 752 CA ASN A 61 -3.074 -10.225 1.591 1.00 0.00 C ATOM 753 C ASN A 61 -4.559 -10.483 1.357 1.00 0.00 C ATOM 754 O ASN A 61 -4.992 -11.630 1.261 1.00 0.00 O ATOM 755 CB ASN A 61 -2.819 -9.923 3.070 1.00 0.00 C ATOM 756 CG ASN A 61 -1.645 -10.705 3.624 1.00 0.00 C ATOM 757 OD1 ASN A 61 -0.539 -10.652 3.087 1.00 0.00 O ATOM 758 ND2 ASN A 61 -1.881 -11.437 4.707 1.00 0.00 N ATOM 0 H ASN A 61 -2.576 -8.220 1.242 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.517 -11.120 1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.632 -8.856 3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.714 -10.159 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.129 -11.985 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.814 -11.452 5.119 1.00 0.00 H new ATOM 765 N THR A 62 -5.334 -9.406 1.259 1.00 0.00 N ATOM 766 CA THR A 62 -6.770 -9.517 1.031 1.00 0.00 C ATOM 767 C THR A 62 -7.139 -8.969 -0.342 1.00 0.00 C ATOM 768 O THR A 62 -6.680 -7.897 -0.737 1.00 0.00 O ATOM 769 CB THR A 62 -7.543 -8.769 2.119 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.728 -8.558 3.259 1.00 0.00 O ATOM 771 CG2 THR A 62 -8.788 -9.497 2.575 1.00 0.00 C ATOM 0 H THR A 62 -4.991 -8.448 1.334 1.00 0.00 H new ATOM 0 HA THR A 62 -7.041 -10.572 1.069 1.00 0.00 H new ATOM 0 HB THR A 62 -7.839 -7.824 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.269 -7.696 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.289 -8.913 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.461 -9.632 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.512 -10.471 2.979 1.00 0.00 H new ATOM 779 N CYS A 63 -7.968 -9.709 -1.070 1.00 0.00 N ATOM 780 CA CYS A 63 -8.391 -9.292 -2.401 1.00 0.00 C ATOM 781 C CYS A 63 -9.853 -9.643 -2.651 1.00 0.00 C ATOM 782 O CYS A 63 -10.178 -10.769 -3.027 1.00 0.00 O ATOM 783 CB CYS A 63 -7.508 -9.945 -3.465 1.00 0.00 C ATOM 784 SG CYS A 63 -6.004 -8.995 -3.861 1.00 0.00 S ATOM 0 H CYS A 63 -8.360 -10.599 -0.761 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.286 -8.209 -2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.219 -10.939 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.092 -10.079 -4.376 1.00 0.00 H new ATOM 789 N THR A 64 -10.730 -8.666 -2.446 1.00 0.00 N ATOM 790 CA THR A 64 -12.159 -8.861 -2.653 1.00 0.00 C ATOM 791 C THR A 64 -12.695 -7.846 -3.657 1.00 0.00 C ATOM 792 O THR A 64 -12.505 -6.641 -3.496 1.00 0.00 O ATOM 793 CB THR A 64 -12.912 -8.735 -1.326 1.00 0.00 C ATOM 794 OG1 THR A 64 -12.135 -8.031 -0.373 1.00 0.00 O ATOM 795 CG2 THR A 64 -13.281 -10.071 -0.718 1.00 0.00 C ATOM 0 H THR A 64 -10.474 -7.729 -2.136 1.00 0.00 H new ATOM 0 HA THR A 64 -12.315 -9.863 -3.051 1.00 0.00 H new ATOM 0 HB THR A 64 -13.829 -8.196 -1.565 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.634 -7.959 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.812 -9.910 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.922 -10.620 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.375 -10.647 -0.528 1.00 0.00 H new ATOM 803 N ASP A 65 -13.359 -8.338 -4.698 1.00 0.00 N ATOM 804 CA ASP A 65 -13.915 -7.470 -5.732 1.00 0.00 C ATOM 805 C ASP A 65 -12.806 -6.845 -6.576 1.00 0.00 C ATOM 806 O ASP A 65 -13.010 -5.815 -7.217 1.00 0.00 O ATOM 807 CB ASP A 65 -14.768 -6.365 -5.101 1.00 0.00 C ATOM 808 CG ASP A 65 -15.902 -5.922 -6.005 1.00 0.00 C ATOM 809 OD1 ASP A 65 -15.616 -5.377 -7.091 1.00 0.00 O ATOM 810 OD2 ASP A 65 -17.075 -6.121 -5.626 1.00 0.00 O ATOM 0 H ASP A 65 -13.526 -9.333 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.543 -8.082 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -15.178 -6.722 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.135 -5.508 -4.870 1.00 0.00 H new ATOM 815 N SER A 66 -11.633 -7.474 -6.573 1.00 0.00 N ATOM 816 CA SER A 66 -10.497 -6.975 -7.339 1.00 0.00 C ATOM 817 C SER A 66 -10.032 -8.009 -8.357 1.00 0.00 C ATOM 818 O SER A 66 -10.572 -9.110 -8.428 1.00 0.00 O ATOM 819 CB SER A 66 -9.344 -6.615 -6.400 1.00 0.00 C ATOM 820 OG SER A 66 -8.854 -7.765 -5.731 1.00 0.00 O ATOM 0 H SER A 66 -11.446 -8.329 -6.049 1.00 0.00 H new ATOM 0 HA SER A 66 -10.815 -6.081 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.539 -6.150 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.682 -5.881 -5.668 1.00 0.00 H new ATOM 0 HG SER A 66 -7.911 -7.901 -5.962 1.00 0.00 H new ATOM 826 N THR A 67 -9.027 -7.647 -9.145 1.00 0.00 N ATOM 827 CA THR A 67 -8.488 -8.545 -10.156 1.00 0.00 C ATOM 828 C THR A 67 -6.966 -8.429 -10.215 1.00 0.00 C ATOM 829 O THR A 67 -6.395 -7.439 -9.759 1.00 0.00 O ATOM 830 CB THR A 67 -9.117 -8.234 -11.521 1.00 0.00 C ATOM 831 OG1 THR A 67 -9.554 -9.420 -12.155 1.00 0.00 O ATOM 832 CG2 THR A 67 -8.189 -7.522 -12.480 1.00 0.00 C ATOM 0 H THR A 67 -8.569 -6.737 -9.102 1.00 0.00 H new ATOM 0 HA THR A 67 -8.736 -9.572 -9.888 1.00 0.00 H new ATOM 0 HB THR A 67 -9.950 -7.568 -11.296 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.953 -9.199 -13.022 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.709 -7.339 -13.421 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.877 -6.572 -12.047 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.312 -8.142 -12.665 1.00 0.00 H new ATOM 840 N ASN A 68 -6.315 -9.438 -10.782 1.00 0.00 N ATOM 841 CA ASN A 68 -4.859 -9.432 -10.900 1.00 0.00 C ATOM 842 C ASN A 68 -4.194 -9.259 -9.535 1.00 0.00 C ATOM 843 O ASN A 68 -3.516 -8.262 -9.286 1.00 0.00 O ATOM 844 CB ASN A 68 -4.415 -8.308 -11.837 1.00 0.00 C ATOM 845 CG ASN A 68 -4.344 -8.759 -13.283 1.00 0.00 C ATOM 846 OD1 ASN A 68 -3.568 -9.649 -13.631 1.00 0.00 O ATOM 847 ND2 ASN A 68 -5.159 -8.147 -14.134 1.00 0.00 N ATOM 0 H ASN A 68 -6.768 -10.267 -11.166 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.550 -10.393 -11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.110 -7.472 -11.753 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.437 -7.942 -11.524 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.158 -8.410 -15.120 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.786 -7.414 -13.802 1.00 0.00 H new ATOM 854 N CYS A 69 -4.394 -10.232 -8.655 1.00 0.00 N ATOM 855 CA CYS A 69 -3.813 -10.180 -7.318 1.00 0.00 C ATOM 856 C CYS A 69 -2.675 -11.189 -7.170 1.00 0.00 C ATOM 857 O CYS A 69 -2.300 -11.552 -6.055 1.00 0.00 O ATOM 858 CB CYS A 69 -4.890 -10.452 -6.270 1.00 0.00 C ATOM 859 SG CYS A 69 -5.940 -9.015 -5.889 1.00 0.00 S ATOM 0 H CYS A 69 -4.952 -11.065 -8.842 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.403 -9.182 -7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.523 -11.268 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.410 -10.791 -5.352 1.00 0.00 H new ATOM 864 N TYR A 70 -2.127 -11.628 -8.301 1.00 0.00 N ATOM 865 CA TYR A 70 -1.025 -12.589 -8.315 1.00 0.00 C ATOM 866 C TYR A 70 -1.333 -13.828 -7.471 1.00 0.00 C ATOM 867 O TYR A 70 -1.732 -14.865 -8.002 1.00 0.00 O ATOM 868 CB TYR A 70 0.266 -11.925 -7.830 1.00 0.00 C ATOM 869 CG TYR A 70 1.233 -11.588 -8.945 1.00 0.00 C ATOM 870 CD1 TYR A 70 0.777 -11.296 -10.226 1.00 0.00 C ATOM 871 CD2 TYR A 70 2.602 -11.561 -8.715 1.00 0.00 C ATOM 872 CE1 TYR A 70 1.658 -10.988 -11.244 1.00 0.00 C ATOM 873 CE2 TYR A 70 3.490 -11.253 -9.728 1.00 0.00 C ATOM 874 CZ TYR A 70 3.014 -10.967 -10.990 1.00 0.00 C ATOM 875 OH TYR A 70 3.896 -10.661 -12.001 1.00 0.00 O ATOM 0 H TYR A 70 -2.431 -11.330 -9.228 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.894 -12.919 -9.345 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.014 -11.012 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.761 -12.588 -7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.284 -11.310 -10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.979 -11.784 -7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.288 -10.765 -12.234 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.552 -11.236 -9.532 1.00 0.00 H new ATOM 0 HH TYR A 70 4.813 -10.689 -11.655 1.00 0.00 H new ATOM 885 N LYS A 71 -1.138 -13.722 -6.159 1.00 0.00 N ATOM 886 CA LYS A 71 -1.390 -14.841 -5.259 1.00 0.00 C ATOM 887 C LYS A 71 -1.692 -14.350 -3.845 1.00 0.00 C ATOM 888 O LYS A 71 -0.869 -14.485 -2.940 1.00 0.00 O ATOM 889 CB LYS A 71 -0.187 -15.788 -5.239 1.00 0.00 C ATOM 890 CG LYS A 71 1.121 -15.101 -4.878 1.00 0.00 C ATOM 891 CD LYS A 71 1.621 -15.531 -3.507 1.00 0.00 C ATOM 892 CE LYS A 71 2.163 -14.351 -2.715 1.00 0.00 C ATOM 893 NZ LYS A 71 1.699 -14.372 -1.300 1.00 0.00 N ATOM 0 H LYS A 71 -0.807 -12.875 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.262 -15.381 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.377 -16.589 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.085 -16.254 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.875 -15.334 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.981 -14.020 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.808 -16.000 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.402 -16.282 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.253 -14.367 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.847 -13.421 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.048 -13.525 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.659 -14.383 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.065 -15.223 -0.827 1.00 0.00 H new ATOM 907 N ALA A 72 -2.879 -13.785 -3.665 1.00 0.00 N ATOM 908 CA ALA A 72 -3.297 -13.278 -2.363 1.00 0.00 C ATOM 909 C ALA A 72 -3.640 -14.424 -1.414 1.00 0.00 C ATOM 910 O ALA A 72 -3.759 -15.574 -1.837 1.00 0.00 O ATOM 911 CB ALA A 72 -4.488 -12.343 -2.518 1.00 0.00 C ATOM 0 H ALA A 72 -3.571 -13.666 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.466 -12.720 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.789 -11.972 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.211 -11.503 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.318 -12.884 -2.972 1.00 0.00 H new ATOM 917 N THR A 73 -3.797 -14.107 -0.132 1.00 0.00 N ATOM 918 CA THR A 73 -4.126 -15.119 0.868 1.00 0.00 C ATOM 919 C THR A 73 -5.640 -15.289 0.992 1.00 0.00 C ATOM 920 O THR A 73 -6.128 -16.375 1.304 1.00 0.00 O ATOM 921 CB THR A 73 -3.501 -14.754 2.224 1.00 0.00 C ATOM 922 OG1 THR A 73 -3.164 -15.923 2.947 1.00 0.00 O ATOM 923 CG2 THR A 73 -4.396 -13.912 3.115 1.00 0.00 C ATOM 0 H THR A 73 -3.702 -13.161 0.238 1.00 0.00 H new ATOM 0 HA THR A 73 -3.709 -16.072 0.544 1.00 0.00 H new ATOM 0 HB THR A 73 -2.620 -14.163 1.973 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.766 -15.673 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.880 -13.699 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.634 -12.976 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.317 -14.456 3.324 1.00 0.00 H new ATOM 931 N ALA A 74 -6.374 -14.210 0.742 1.00 0.00 N ATOM 932 CA ALA A 74 -7.830 -14.236 0.821 1.00 0.00 C ATOM 933 C ALA A 74 -8.451 -13.910 -0.532 1.00 0.00 C ATOM 934 O ALA A 74 -8.129 -12.890 -1.141 1.00 0.00 O ATOM 935 CB ALA A 74 -8.320 -13.259 1.879 1.00 0.00 C ATOM 0 H ALA A 74 -5.983 -13.304 0.482 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.139 -15.242 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.409 -13.290 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.907 -13.536 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.996 -12.251 1.621 1.00 0.00 H new ATOM 941 N CYS A 75 -9.335 -14.783 -1.002 1.00 0.00 N ATOM 942 CA CYS A 75 -9.988 -14.580 -2.289 1.00 0.00 C ATOM 943 C CYS A 75 -11.393 -15.175 -2.298 1.00 0.00 C ATOM 944 O CYS A 75 -11.699 -16.090 -1.534 1.00 0.00 O ATOM 945 CB CYS A 75 -9.148 -15.202 -3.407 1.00 0.00 C ATOM 946 SG CYS A 75 -8.427 -13.981 -4.551 1.00 0.00 S ATOM 0 H CYS A 75 -9.615 -15.634 -0.514 1.00 0.00 H new ATOM 0 HA CYS A 75 -10.075 -13.507 -2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -8.344 -15.788 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -9.770 -15.894 -3.974 1.00 0.00 H new ATOM 951 N THR A 76 -12.243 -14.644 -3.173 1.00 0.00 N ATOM 952 CA THR A 76 -13.617 -15.117 -3.292 1.00 0.00 C ATOM 953 C THR A 76 -14.138 -14.899 -4.708 1.00 0.00 C ATOM 954 O THR A 76 -14.719 -15.801 -5.313 1.00 0.00 O ATOM 955 CB THR A 76 -14.516 -14.396 -2.287 1.00 0.00 C ATOM 956 OG1 THR A 76 -14.026 -14.560 -0.968 1.00 0.00 O ATOM 957 CG2 THR A 76 -15.948 -14.885 -2.309 1.00 0.00 C ATOM 0 H THR A 76 -12.003 -13.885 -3.810 1.00 0.00 H new ATOM 0 HA THR A 76 -13.631 -16.185 -3.076 1.00 0.00 H new ATOM 0 HB THR A 76 -14.502 -13.348 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.614 -14.090 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 76 -16.532 -14.333 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 76 -16.371 -14.727 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.973 -15.948 -2.069 1.00 0.00 H new ATOM 965 N ASN A 77 -13.924 -13.697 -5.233 1.00 0.00 N ATOM 966 CA ASN A 77 -14.369 -13.357 -6.580 1.00 0.00 C ATOM 967 C ASN A 77 -13.426 -12.339 -7.219 1.00 0.00 C ATOM 968 O ASN A 77 -13.849 -11.263 -7.643 1.00 0.00 O ATOM 969 CB ASN A 77 -15.796 -12.806 -6.545 1.00 0.00 C ATOM 970 CG ASN A 77 -16.838 -13.901 -6.664 1.00 0.00 C ATOM 971 OD1 ASN A 77 -16.827 -14.684 -7.614 1.00 0.00 O ATOM 972 ND2 ASN A 77 -17.747 -13.962 -5.698 1.00 0.00 N ATOM 0 H ASN A 77 -13.444 -12.941 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.357 -14.264 -7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.950 -12.261 -5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.928 -12.092 -7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -18.473 -14.678 -5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.719 -13.293 -4.929 1.00 0.00 H new ATOM 979 N SER A 78 -12.145 -12.689 -7.280 1.00 0.00 N ATOM 980 CA SER A 78 -11.135 -11.812 -7.861 1.00 0.00 C ATOM 981 C SER A 78 -10.214 -12.593 -8.796 1.00 0.00 C ATOM 982 O SER A 78 -9.897 -13.754 -8.539 1.00 0.00 O ATOM 983 CB SER A 78 -10.310 -11.153 -6.752 1.00 0.00 C ATOM 984 OG SER A 78 -9.068 -10.684 -7.248 1.00 0.00 O ATOM 0 H SER A 78 -11.781 -13.577 -6.933 1.00 0.00 H new ATOM 0 HA SER A 78 -11.643 -11.040 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.870 -10.322 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.137 -11.870 -5.949 1.00 0.00 H new ATOM 0 HG SER A 78 -9.211 -10.216 -8.097 1.00 0.00 H new ATOM 990 N SER A 79 -9.779 -11.950 -9.878 1.00 0.00 N ATOM 991 CA SER A 79 -8.889 -12.598 -10.833 1.00 0.00 C ATOM 992 C SER A 79 -7.438 -12.421 -10.416 1.00 0.00 C ATOM 993 O SER A 79 -7.123 -11.567 -9.585 1.00 0.00 O ATOM 994 CB SER A 79 -9.099 -12.036 -12.236 1.00 0.00 C ATOM 995 OG SER A 79 -9.010 -13.058 -13.215 1.00 0.00 O ATOM 0 H SER A 79 -10.027 -10.989 -10.112 1.00 0.00 H new ATOM 0 HA SER A 79 -9.125 -13.662 -10.845 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.075 -11.555 -12.296 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.352 -11.268 -12.439 1.00 0.00 H new ATOM 0 HG SER A 79 -9.150 -12.672 -14.105 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.558 -13.234 -10.985 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.152 -13.147 -10.645 1.00 0.00 C ATOM 1003 C GLY A 80 -4.818 -13.927 -9.387 1.00 0.00 C ATOM 1004 O GLY A 80 -3.798 -14.610 -9.323 1.00 0.00 O ATOM 0 H GLY A 80 -6.792 -13.950 -11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.555 -13.526 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.877 -12.101 -10.506 1.00 0.00 H new ATOM 1008 N CYS A 81 -5.687 -13.818 -8.386 1.00 0.00 N ATOM 1009 CA CYS A 81 -5.492 -14.511 -7.116 1.00 0.00 C ATOM 1010 C CYS A 81 -6.391 -15.746 -7.032 1.00 0.00 C ATOM 1011 O CYS A 81 -7.482 -15.769 -7.602 1.00 0.00 O ATOM 1012 CB CYS A 81 -5.780 -13.548 -5.954 1.00 0.00 C ATOM 1013 SG CYS A 81 -6.431 -14.327 -4.437 1.00 0.00 S ATOM 0 H CYS A 81 -6.536 -13.254 -8.430 1.00 0.00 H new ATOM 0 HA CYS A 81 -4.457 -14.846 -7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.860 -13.020 -5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.495 -12.799 -6.294 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.941 -16.792 -6.313 1.00 0.00 N ATOM 1019 CA PRO A 82 -6.710 -18.031 -6.153 1.00 0.00 C ATOM 1020 C PRO A 82 -8.082 -17.780 -5.534 1.00 0.00 C ATOM 1021 O PRO A 82 -8.628 -16.684 -5.643 1.00 0.00 O ATOM 1022 CB PRO A 82 -5.842 -18.879 -5.213 1.00 0.00 C ATOM 1023 CG PRO A 82 -4.470 -18.313 -5.340 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.651 -16.847 -5.604 1.00 0.00 C ATOM 0 HA PRO A 82 -6.911 -18.512 -7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.200 -18.820 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.863 -19.931 -5.498 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.894 -18.477 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.924 -18.792 -6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.674 -16.271 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.840 -16.443 -6.210 1.00 0.00 H new