USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=28 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 67 THR OG1 : rot -75:sc= -0.0809 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.242 K(o=0.16,f=-6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : 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= 0.942 K(o=0.94,f=-0.079) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.572 F(o=-1.9,f=-0.57) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.2!) USER MOD Single : A 30 SER OG : rot 82:sc= -0.532 USER MOD Single : A 31 GLN : amide:sc= -3.22! C(o=-3.2!,f=-7.9!) USER MOD Single : A 32 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.8) 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) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 42 SER OG : rot 180:sc= -3.31 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.745! USER MOD Single : A 46 ASN : amide:sc= -6.04! C(o=-6!,f=-7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 50 THR OG1 : rot 7:sc= -0.0551 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 54 SER OG : rot -150:sc= -3.55 USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 61 ASN : amide:sc= -0.441 K(o=-0.44,f=-3.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -174:sc= -2.5! USER MOD Single : A 66 SER OG : rot 168:sc= 0.216 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.217) USER MOD Single : A 73 THR OG1 : rot -92:sc= 1.12 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.51) USER MOD Single : A 78 SER OG : rot 99:sc= 0.7 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -5.686 14.026 -7.014 1.00 0.00 N ATOM 81 CA CYS A 8 -5.497 14.635 -5.704 1.00 0.00 C ATOM 82 C CYS A 8 -4.595 15.865 -5.807 1.00 0.00 C ATOM 83 O CYS A 8 -5.081 16.990 -5.916 1.00 0.00 O ATOM 84 CB CYS A 8 -4.905 13.617 -4.725 1.00 0.00 C ATOM 85 SG CYS A 8 -6.136 12.826 -3.639 1.00 0.00 S ATOM 0 HA CYS A 8 -6.469 14.954 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.386 12.844 -5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.158 14.115 -4.107 1.00 0.00 H new ATOM 90 N THR A 9 -3.281 15.643 -5.782 1.00 0.00 N ATOM 91 CA THR A 9 -2.312 16.732 -5.882 1.00 0.00 C ATOM 92 C THR A 9 -2.358 17.638 -4.654 1.00 0.00 C ATOM 93 O THR A 9 -1.393 17.715 -3.892 1.00 0.00 O ATOM 94 CB THR A 9 -2.569 17.559 -7.145 1.00 0.00 C ATOM 95 OG1 THR A 9 -2.733 16.715 -8.272 1.00 0.00 O ATOM 96 CG2 THR A 9 -1.454 18.533 -7.459 1.00 0.00 C ATOM 0 H THR A 9 -2.863 14.717 -5.693 1.00 0.00 H new ATOM 0 HA THR A 9 -1.320 16.285 -5.937 1.00 0.00 H new ATOM 0 HB THR A 9 -3.477 18.125 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.898 17.261 -9.069 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.699 19.087 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.335 19.230 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.524 17.985 -7.609 1.00 0.00 H new ATOM 104 N SER A 10 -3.481 18.328 -4.470 1.00 0.00 N ATOM 105 CA SER A 10 -3.656 19.239 -3.340 1.00 0.00 C ATOM 106 C SER A 10 -3.177 18.612 -2.033 1.00 0.00 C ATOM 107 O SER A 10 -2.384 19.208 -1.302 1.00 0.00 O ATOM 108 CB SER A 10 -5.126 19.645 -3.213 1.00 0.00 C ATOM 109 OG SER A 10 -5.278 20.739 -2.327 1.00 0.00 O ATOM 0 H SER A 10 -4.288 18.273 -5.092 1.00 0.00 H new ATOM 0 HA SER A 10 -3.049 20.124 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.519 19.910 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.711 18.798 -2.854 1.00 0.00 H new ATOM 0 HG SER A 10 -6.226 20.980 -2.265 1.00 0.00 H new ATOM 115 N CYS A 11 -3.662 17.410 -1.742 1.00 0.00 N ATOM 116 CA CYS A 11 -3.282 16.709 -0.520 1.00 0.00 C ATOM 117 C CYS A 11 -1.878 16.122 -0.642 1.00 0.00 C ATOM 118 O CYS A 11 -1.393 15.872 -1.745 1.00 0.00 O ATOM 119 CB CYS A 11 -4.288 15.600 -0.212 1.00 0.00 C ATOM 120 SG CYS A 11 -6.009 16.181 -0.063 1.00 0.00 S ATOM 0 H CYS A 11 -4.318 16.901 -2.334 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.283 17.429 0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.236 14.848 -0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.999 15.109 0.717 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.787 15.172 0.196 1.00 0.00 H new ATOM 125 N THR A 12 -1.231 15.904 0.500 1.00 0.00 N ATOM 126 CA THR A 12 0.116 15.346 0.519 1.00 0.00 C ATOM 127 C THR A 12 0.297 14.399 1.700 1.00 0.00 C ATOM 128 O THR A 12 1.415 14.189 2.173 1.00 0.00 O ATOM 129 CB THR A 12 1.153 16.468 0.583 1.00 0.00 C ATOM 130 OG1 THR A 12 0.779 17.444 1.539 1.00 0.00 O ATOM 131 CG2 THR A 12 1.355 17.173 -0.740 1.00 0.00 C ATOM 0 H THR A 12 -1.618 16.105 1.422 1.00 0.00 H new ATOM 0 HA THR A 12 0.261 14.779 -0.401 1.00 0.00 H new ATOM 0 HB THR A 12 2.087 15.981 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.456 18.152 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.103 17.957 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.694 16.455 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.413 17.615 -1.064 1.00 0.00 H new ATOM 139 N GLY A 13 -0.807 13.830 2.172 1.00 0.00 N ATOM 140 CA GLY A 13 -0.746 12.911 3.293 1.00 0.00 C ATOM 141 C GLY A 13 -1.553 11.652 3.049 1.00 0.00 C ATOM 142 O GLY A 13 -0.992 10.575 2.850 1.00 0.00 O ATOM 0 H GLY A 13 -1.743 13.989 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.293 12.643 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.116 13.409 4.189 1.00 0.00 H new ATOM 146 N ALA A 14 -2.874 11.791 3.059 1.00 0.00 N ATOM 147 CA ALA A 14 -3.766 10.660 2.831 1.00 0.00 C ATOM 148 C ALA A 14 -4.593 10.871 1.569 1.00 0.00 C ATOM 149 O ALA A 14 -5.210 11.921 1.389 1.00 0.00 O ATOM 150 CB ALA A 14 -4.674 10.453 4.035 1.00 0.00 C ATOM 0 H ALA A 14 -3.352 12.677 3.223 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.159 9.765 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.335 9.606 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.067 10.255 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.271 11.350 4.199 1.00 0.00 H new ATOM 156 N CYS A 15 -4.600 9.871 0.696 1.00 0.00 N ATOM 157 CA CYS A 15 -5.350 9.954 -0.551 1.00 0.00 C ATOM 158 C CYS A 15 -6.800 9.522 -0.349 1.00 0.00 C ATOM 159 O CYS A 15 -7.079 8.564 0.373 1.00 0.00 O ATOM 160 CB CYS A 15 -4.688 9.088 -1.626 1.00 0.00 C ATOM 161 SG CYS A 15 -4.236 9.997 -3.139 1.00 0.00 S ATOM 0 H CYS A 15 -4.096 8.994 0.828 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.347 10.993 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.791 8.631 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.365 8.276 -1.891 1.00 0.00 H new ATOM 166 N THR A 16 -7.717 10.237 -0.990 1.00 0.00 N ATOM 167 CA THR A 16 -9.140 9.933 -0.887 1.00 0.00 C ATOM 168 C THR A 16 -9.723 9.623 -2.267 1.00 0.00 C ATOM 169 O THR A 16 -9.020 9.114 -3.137 1.00 0.00 O ATOM 170 CB THR A 16 -9.879 11.107 -0.238 1.00 0.00 C ATOM 171 OG1 THR A 16 -8.983 11.922 0.497 1.00 0.00 O ATOM 172 CG2 THR A 16 -10.981 10.674 0.705 1.00 0.00 C ATOM 0 H THR A 16 -7.500 11.034 -1.589 1.00 0.00 H new ATOM 0 HA THR A 16 -9.268 9.051 -0.260 1.00 0.00 H new ATOM 0 HB THR A 16 -10.325 11.658 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.475 12.667 0.902 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.463 11.554 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.717 10.085 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.557 10.070 1.507 1.00 0.00 H new ATOM 180 N GLY A 17 -11.007 9.925 -2.465 1.00 0.00 N ATOM 181 CA GLY A 17 -11.642 9.661 -3.743 1.00 0.00 C ATOM 182 C GLY A 17 -11.102 10.535 -4.862 1.00 0.00 C ATOM 183 O GLY A 17 -11.809 11.401 -5.377 1.00 0.00 O ATOM 0 H GLY A 17 -11.615 10.347 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.498 8.613 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.716 9.821 -3.650 1.00 0.00 H new ATOM 187 N CYS A 18 -9.850 10.301 -5.242 1.00 0.00 N ATOM 188 CA CYS A 18 -9.214 11.066 -6.310 1.00 0.00 C ATOM 189 C CYS A 18 -8.538 10.117 -7.310 1.00 0.00 C ATOM 190 O CYS A 18 -9.131 9.113 -7.700 1.00 0.00 O ATOM 191 CB CYS A 18 -8.213 12.065 -5.716 1.00 0.00 C ATOM 192 SG CYS A 18 -6.864 11.297 -4.760 1.00 0.00 S ATOM 0 H CYS A 18 -9.254 9.586 -4.825 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.973 11.633 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.780 12.652 -6.526 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.750 12.760 -5.070 1.00 0.00 H new ATOM 197 N GLY A 19 -7.308 10.423 -7.728 1.00 0.00 N ATOM 198 CA GLY A 19 -6.620 9.560 -8.673 1.00 0.00 C ATOM 199 C GLY A 19 -5.184 9.280 -8.273 1.00 0.00 C ATOM 200 O GLY A 19 -4.876 8.206 -7.757 1.00 0.00 O ATOM 0 H GLY A 19 -6.782 11.245 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.160 8.617 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.634 10.024 -9.659 1.00 0.00 H new ATOM 204 N ASN A 20 -4.300 10.243 -8.517 1.00 0.00 N ATOM 205 CA ASN A 20 -2.889 10.086 -8.184 1.00 0.00 C ATOM 206 C ASN A 20 -2.498 10.970 -7.004 1.00 0.00 C ATOM 207 O ASN A 20 -3.016 12.074 -6.843 1.00 0.00 O ATOM 208 CB ASN A 20 -2.019 10.421 -9.398 1.00 0.00 C ATOM 209 CG ASN A 20 -0.540 10.232 -9.121 1.00 0.00 C ATOM 210 OD1 ASN A 20 0.273 11.113 -9.401 1.00 0.00 O ATOM 211 ND2 ASN A 20 -0.183 9.079 -8.569 1.00 0.00 N ATOM 0 H ASN A 20 -4.536 11.139 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.725 9.047 -7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.312 9.789 -10.237 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.200 11.453 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.798 8.896 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.890 8.376 -8.353 1.00 0.00 H new ATOM 218 N CYS A 21 -1.576 10.473 -6.186 1.00 0.00 N ATOM 219 CA CYS A 21 -1.106 11.211 -5.020 1.00 0.00 C ATOM 220 C CYS A 21 0.361 11.601 -5.185 1.00 0.00 C ATOM 221 O CYS A 21 1.069 11.045 -6.025 1.00 0.00 O ATOM 222 CB CYS A 21 -1.289 10.373 -3.752 1.00 0.00 C ATOM 223 SG CYS A 21 -2.559 11.013 -2.614 1.00 0.00 S ATOM 0 H CYS A 21 -1.139 9.560 -6.310 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.698 12.122 -4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.552 9.355 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.337 10.320 -3.224 1.00 0.00 H new ATOM 228 N PRO A 22 0.839 12.568 -4.382 1.00 0.00 N ATOM 229 CA PRO A 22 2.225 13.026 -4.449 1.00 0.00 C ATOM 230 C PRO A 22 3.194 12.064 -3.759 1.00 0.00 C ATOM 231 O PRO A 22 3.901 11.306 -4.423 1.00 0.00 O ATOM 232 CB PRO A 22 2.188 14.378 -3.737 1.00 0.00 C ATOM 233 CG PRO A 22 1.017 14.319 -2.811 1.00 0.00 C ATOM 234 CD PRO A 22 0.062 13.283 -3.355 1.00 0.00 C ATOM 0 HA PRO A 22 2.587 13.088 -5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.112 14.556 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.080 15.194 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.338 14.054 -1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.531 15.292 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.278 12.606 -2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.827 13.748 -3.782 1.00 0.00 H new ATOM 242 N ASN A 23 3.224 12.095 -2.429 1.00 0.00 N ATOM 243 CA ASN A 23 4.107 11.220 -1.664 1.00 0.00 C ATOM 244 C ASN A 23 3.334 10.440 -0.601 1.00 0.00 C ATOM 245 O ASN A 23 3.925 9.700 0.185 1.00 0.00 O ATOM 246 CB ASN A 23 5.220 12.034 -0.998 1.00 0.00 C ATOM 247 CG ASN A 23 5.824 13.063 -1.933 1.00 0.00 C ATOM 248 OD1 ASN A 23 5.136 14.186 -2.098 1.00 0.00 O flip ATOM 249 ND2 ASN A 23 6.897 12.851 -2.499 1.00 0.00 N flip ATOM 0 H ASN A 23 2.648 12.715 -1.860 1.00 0.00 H new ATOM 0 HA ASN A 23 4.548 10.507 -2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.821 12.538 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.002 11.359 -0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.391 11.973 -2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.291 13.554 -3.124 1.00 0.00 H new ATOM 256 N ALA A 24 2.012 10.607 -0.578 1.00 0.00 N ATOM 257 CA ALA A 24 1.173 9.914 0.393 1.00 0.00 C ATOM 258 C ALA A 24 1.397 8.407 0.334 1.00 0.00 C ATOM 259 O ALA A 24 1.631 7.846 -0.736 1.00 0.00 O ATOM 260 CB ALA A 24 -0.293 10.239 0.153 1.00 0.00 C ATOM 0 H ALA A 24 1.502 11.215 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 24 1.452 10.260 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.907 9.714 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.448 11.313 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.576 9.923 -0.851 1.00 0.00 H new ATOM 266 N VAL A 25 1.327 7.757 1.490 1.00 0.00 N ATOM 267 CA VAL A 25 1.524 6.316 1.566 1.00 0.00 C ATOM 268 C VAL A 25 0.197 5.570 1.482 1.00 0.00 C ATOM 269 O VAL A 25 0.107 4.516 0.857 1.00 0.00 O ATOM 270 CB VAL A 25 2.249 5.914 2.866 1.00 0.00 C ATOM 271 CG1 VAL A 25 3.573 6.652 2.989 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.368 6.178 4.078 1.00 0.00 C ATOM 0 H VAL A 25 1.135 8.205 2.386 1.00 0.00 H new ATOM 0 HA VAL A 25 2.144 6.039 0.714 1.00 0.00 H new ATOM 0 HB VAL A 25 2.457 4.845 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.070 6.356 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.208 6.404 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.391 7.727 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.899 5.887 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.123 7.239 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.450 5.597 3.994 1.00 0.00 H new ATOM 282 N THR A 26 -0.832 6.122 2.115 1.00 0.00 N ATOM 283 CA THR A 26 -2.151 5.500 2.109 1.00 0.00 C ATOM 284 C THR A 26 -3.064 6.173 1.092 1.00 0.00 C ATOM 285 O THR A 26 -3.047 7.395 0.942 1.00 0.00 O ATOM 286 CB THR A 26 -2.780 5.568 3.501 1.00 0.00 C ATOM 287 OG1 THR A 26 -1.785 5.739 4.494 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.579 4.333 3.857 1.00 0.00 C ATOM 0 H THR A 26 -0.779 6.996 2.637 1.00 0.00 H new ATOM 0 HA THR A 26 -2.029 4.454 1.826 1.00 0.00 H new ATOM 0 HB THR A 26 -3.457 6.422 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.208 5.782 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.998 4.446 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.387 4.203 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.928 3.459 3.833 1.00 0.00 H new ATOM 296 N CYS A 27 -3.863 5.371 0.398 1.00 0.00 N ATOM 297 CA CYS A 27 -4.785 5.894 -0.600 1.00 0.00 C ATOM 298 C CYS A 27 -6.140 5.208 -0.501 1.00 0.00 C ATOM 299 O CYS A 27 -6.256 4.004 -0.726 1.00 0.00 O ATOM 300 CB CYS A 27 -4.215 5.712 -2.008 1.00 0.00 C ATOM 301 SG CYS A 27 -2.595 6.506 -2.262 1.00 0.00 S ATOM 0 H CYS A 27 -3.890 4.357 0.509 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.917 6.958 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.122 4.646 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.924 6.117 -2.731 1.00 0.00 H new ATOM 306 N THR A 28 -7.164 5.988 -0.181 1.00 0.00 N ATOM 307 CA THR A 28 -8.514 5.462 -0.071 1.00 0.00 C ATOM 308 C THR A 28 -9.269 5.727 -1.365 1.00 0.00 C ATOM 309 O THR A 28 -9.686 6.854 -1.628 1.00 0.00 O ATOM 310 CB THR A 28 -9.247 6.102 1.110 1.00 0.00 C ATOM 311 OG1 THR A 28 -8.449 6.053 2.280 1.00 0.00 O ATOM 312 CG2 THR A 28 -10.569 5.435 1.426 1.00 0.00 C ATOM 0 H THR A 28 -7.083 6.987 0.007 1.00 0.00 H new ATOM 0 HA THR A 28 -8.462 4.387 0.103 1.00 0.00 H new ATOM 0 HB THR A 28 -9.442 7.131 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.933 6.468 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.037 5.937 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.226 5.499 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.398 4.388 1.675 1.00 0.00 H new ATOM 320 N ASN A 29 -9.411 4.685 -2.182 1.00 0.00 N ATOM 321 CA ASN A 29 -10.073 4.785 -3.459 1.00 0.00 C ATOM 322 C ASN A 29 -9.102 5.351 -4.482 1.00 0.00 C ATOM 323 O ASN A 29 -7.890 5.348 -4.270 1.00 0.00 O ATOM 324 CB ASN A 29 -11.338 5.655 -3.361 1.00 0.00 C ATOM 325 CG ASN A 29 -12.568 4.953 -3.899 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.940 5.129 -5.060 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.208 4.149 -3.057 1.00 0.00 N ATOM 0 H ASN A 29 -9.065 3.750 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.389 3.791 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.507 5.929 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.182 6.582 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.042 3.649 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.865 4.032 -2.103 1.00 0.00 H new ATOM 334 N SER A 30 -9.649 5.822 -5.579 1.00 0.00 N ATOM 335 CA SER A 30 -8.867 6.406 -6.676 1.00 0.00 C ATOM 336 C SER A 30 -8.302 5.332 -7.597 1.00 0.00 C ATOM 337 O SER A 30 -8.485 4.140 -7.365 1.00 0.00 O ATOM 338 CB SER A 30 -7.723 7.274 -6.132 1.00 0.00 C ATOM 339 OG SER A 30 -8.217 8.303 -5.294 1.00 0.00 O ATOM 0 H SER A 30 -10.655 5.817 -5.749 1.00 0.00 H new ATOM 0 HA SER A 30 -9.546 7.032 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.024 6.651 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.168 7.712 -6.962 1.00 0.00 H new ATOM 0 HG SER A 30 -8.375 7.945 -4.395 1.00 0.00 H new ATOM 345 N GLN A 31 -7.633 5.768 -8.659 1.00 0.00 N ATOM 346 CA GLN A 31 -7.056 4.848 -9.632 1.00 0.00 C ATOM 347 C GLN A 31 -5.682 5.326 -10.098 1.00 0.00 C ATOM 348 O GLN A 31 -5.469 5.570 -11.286 1.00 0.00 O ATOM 349 CB GLN A 31 -7.994 4.693 -10.840 1.00 0.00 C ATOM 350 CG GLN A 31 -9.251 5.547 -10.763 1.00 0.00 C ATOM 351 CD GLN A 31 -10.288 4.974 -9.815 1.00 0.00 C ATOM 352 OE1 GLN A 31 -10.272 3.782 -9.506 1.00 0.00 O ATOM 353 NE2 GLN A 31 -11.197 5.823 -9.350 1.00 0.00 N ATOM 0 H GLN A 31 -7.477 6.754 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.934 3.880 -9.146 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.447 4.951 -11.747 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.284 3.646 -10.930 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.983 6.553 -10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.685 5.639 -11.759 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.172 6.803 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.920 5.496 -8.710 1.00 0.00 H new ATOM 362 N HIS A 32 -4.747 5.461 -9.164 1.00 0.00 N ATOM 363 CA HIS A 32 -3.404 5.911 -9.510 1.00 0.00 C ATOM 364 C HIS A 32 -2.471 5.898 -8.300 1.00 0.00 C ATOM 365 O HIS A 32 -1.567 6.726 -8.199 1.00 0.00 O ATOM 366 CB HIS A 32 -3.463 7.316 -10.115 1.00 0.00 C ATOM 367 CG HIS A 32 -2.984 7.383 -11.533 1.00 0.00 C ATOM 368 ND1 HIS A 32 -2.986 8.547 -12.273 1.00 0.00 N ATOM 369 CD2 HIS A 32 -2.484 6.424 -12.349 1.00 0.00 C ATOM 370 CE1 HIS A 32 -2.510 8.301 -13.480 1.00 0.00 C ATOM 371 NE2 HIS A 32 -2.197 7.021 -13.552 1.00 0.00 N ATOM 0 H HIS A 32 -4.891 5.268 -8.173 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.999 5.215 -10.245 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.490 7.678 -10.071 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.861 7.990 -9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.338 5.383 -12.100 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.396 9.025 -14.274 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.806 6.551 -14.368 1.00 0.00 H new ATOM 380 N CYS A 33 -2.685 4.951 -7.391 1.00 0.00 N ATOM 381 CA CYS A 33 -1.847 4.837 -6.202 1.00 0.00 C ATOM 382 C CYS A 33 -1.183 3.466 -6.140 1.00 0.00 C ATOM 383 O CYS A 33 -1.580 2.603 -5.356 1.00 0.00 O ATOM 384 CB CYS A 33 -2.674 5.086 -4.940 1.00 0.00 C ATOM 385 SG CYS A 33 -2.505 6.772 -4.270 1.00 0.00 S ATOM 0 H CYS A 33 -3.428 4.255 -7.454 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.065 5.594 -6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.724 4.897 -5.162 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.376 4.369 -4.175 1.00 0.00 H new ATOM 390 N VAL A 34 -0.175 3.272 -6.984 1.00 0.00 N ATOM 391 CA VAL A 34 0.549 2.007 -7.049 1.00 0.00 C ATOM 392 C VAL A 34 1.533 1.862 -5.897 1.00 0.00 C ATOM 393 O VAL A 34 1.807 0.755 -5.434 1.00 0.00 O ATOM 394 CB VAL A 34 1.333 1.884 -8.373 1.00 0.00 C ATOM 395 CG1 VAL A 34 0.414 2.123 -9.560 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.514 2.855 -8.398 1.00 0.00 C ATOM 0 H VAL A 34 0.161 3.980 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.201 1.219 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 34 1.728 0.871 -8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.983 2.032 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.388 1.385 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.013 3.123 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.051 2.750 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.147 3.877 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.187 2.631 -7.570 1.00 0.00 H new ATOM 406 N LYS A 35 2.089 2.985 -5.468 1.00 0.00 N ATOM 407 CA LYS A 35 3.077 2.987 -4.401 1.00 0.00 C ATOM 408 C LYS A 35 2.446 3.251 -3.034 1.00 0.00 C ATOM 409 O LYS A 35 3.092 3.790 -2.137 1.00 0.00 O ATOM 410 CB LYS A 35 4.162 4.022 -4.721 1.00 0.00 C ATOM 411 CG LYS A 35 3.790 5.461 -4.381 1.00 0.00 C ATOM 412 CD LYS A 35 3.017 6.122 -5.514 1.00 0.00 C ATOM 413 CE LYS A 35 1.608 6.506 -5.084 1.00 0.00 C ATOM 414 NZ LYS A 35 1.238 7.877 -5.538 1.00 0.00 N ATOM 0 H LYS A 35 1.872 3.908 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 35 3.527 1.996 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.069 3.757 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.399 3.964 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.189 5.477 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.695 6.033 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.551 7.012 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.966 5.442 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.897 5.786 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.533 6.452 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.271 8.098 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.900 8.568 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.284 7.923 -6.576 1.00 0.00 H new ATOM 428 N ALA A 36 1.185 2.859 -2.878 1.00 0.00 N ATOM 429 CA ALA A 36 0.479 3.049 -1.615 1.00 0.00 C ATOM 430 C ALA A 36 0.595 1.809 -0.732 1.00 0.00 C ATOM 431 O ALA A 36 0.819 0.704 -1.227 1.00 0.00 O ATOM 432 CB ALA A 36 -0.983 3.381 -1.873 1.00 0.00 C ATOM 0 H ALA A 36 0.632 2.409 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 36 0.942 3.884 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.498 3.520 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.050 4.297 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.450 2.564 -2.422 1.00 0.00 H new ATOM 438 N ASN A 37 0.443 1.998 0.575 1.00 0.00 N ATOM 439 CA ASN A 37 0.533 0.893 1.522 1.00 0.00 C ATOM 440 C ASN A 37 -0.780 0.120 1.588 1.00 0.00 C ATOM 441 O ASN A 37 -0.787 -1.096 1.782 1.00 0.00 O ATOM 442 CB ASN A 37 0.905 1.415 2.913 1.00 0.00 C ATOM 443 CG ASN A 37 1.944 0.548 3.597 1.00 0.00 C ATOM 444 OD1 ASN A 37 1.630 -0.215 4.511 1.00 0.00 O ATOM 445 ND2 ASN A 37 3.192 0.660 3.156 1.00 0.00 N ATOM 0 H ASN A 37 0.257 2.906 1.002 1.00 0.00 H new ATOM 0 HA ASN A 37 1.313 0.214 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.285 2.433 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.009 1.461 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.934 0.101 3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.408 1.305 2.396 1.00 0.00 H new ATOM 452 N THR A 38 -1.892 0.832 1.424 1.00 0.00 N ATOM 453 CA THR A 38 -3.211 0.211 1.463 1.00 0.00 C ATOM 454 C THR A 38 -4.146 0.860 0.448 1.00 0.00 C ATOM 455 O THR A 38 -3.916 1.989 0.014 1.00 0.00 O ATOM 456 CB THR A 38 -3.808 0.318 2.868 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.786 0.312 3.848 1.00 0.00 O ATOM 458 CG2 THR A 38 -4.767 -0.806 3.196 1.00 0.00 C ATOM 0 H THR A 38 -1.905 1.839 1.263 1.00 0.00 H new ATOM 0 HA THR A 38 -3.098 -0.842 1.205 1.00 0.00 H new ATOM 0 HB THR A 38 -4.359 1.259 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.187 0.383 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.154 -0.671 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.594 -0.798 2.486 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.244 -1.760 3.133 1.00 0.00 H new ATOM 466 N CYS A 39 -5.199 0.141 0.072 1.00 0.00 N ATOM 467 CA CYS A 39 -6.163 0.653 -0.895 1.00 0.00 C ATOM 468 C CYS A 39 -7.592 0.289 -0.495 1.00 0.00 C ATOM 469 O CYS A 39 -7.827 -0.722 0.166 1.00 0.00 O ATOM 470 CB CYS A 39 -5.862 0.100 -2.290 1.00 0.00 C ATOM 471 SG CYS A 39 -4.278 0.662 -2.996 1.00 0.00 S ATOM 0 H CYS A 39 -5.406 -0.795 0.421 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.074 1.739 -0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.859 -0.989 -2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.669 0.388 -2.964 1.00 0.00 H new ATOM 476 N THR A 40 -8.539 1.123 -0.912 1.00 0.00 N ATOM 477 CA THR A 40 -9.951 0.902 -0.616 1.00 0.00 C ATOM 478 C THR A 40 -10.813 1.503 -1.720 1.00 0.00 C ATOM 479 O THR A 40 -11.006 2.718 -1.775 1.00 0.00 O ATOM 480 CB THR A 40 -10.320 1.521 0.733 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.170 1.668 1.548 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.332 0.707 1.511 1.00 0.00 C ATOM 0 H THR A 40 -8.353 1.963 -1.459 1.00 0.00 H new ATOM 0 HA THR A 40 -10.132 -0.172 -0.565 1.00 0.00 H new ATOM 0 HB THR A 40 -10.763 2.488 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.426 2.067 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.548 1.203 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.250 0.617 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.927 -0.286 1.707 1.00 0.00 H new ATOM 490 N GLY A 41 -11.305 0.654 -2.616 1.00 0.00 N ATOM 491 CA GLY A 41 -12.110 1.138 -3.721 1.00 0.00 C ATOM 492 C GLY A 41 -11.253 1.827 -4.749 1.00 0.00 C ATOM 493 O GLY A 41 -11.615 2.879 -5.271 1.00 0.00 O ATOM 0 H GLY A 41 -11.161 -0.356 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.639 0.305 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.866 1.830 -3.350 1.00 0.00 H new ATOM 497 N SER A 42 -10.110 1.232 -5.039 1.00 0.00 N ATOM 498 CA SER A 42 -9.192 1.791 -6.001 1.00 0.00 C ATOM 499 C SER A 42 -8.837 0.714 -6.994 1.00 0.00 C ATOM 500 O SER A 42 -9.507 -0.305 -7.044 1.00 0.00 O ATOM 501 CB SER A 42 -7.927 2.299 -5.302 1.00 0.00 C ATOM 502 OG SER A 42 -8.228 2.837 -4.027 1.00 0.00 O ATOM 0 H SER A 42 -9.799 0.357 -4.617 1.00 0.00 H new ATOM 0 HA SER A 42 -9.657 2.635 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.214 1.482 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.449 3.061 -5.918 1.00 0.00 H new ATOM 0 HG SER A 42 -7.403 3.153 -3.602 1.00 0.00 H new ATOM 508 N THR A 43 -7.790 0.917 -7.771 1.00 0.00 N ATOM 509 CA THR A 43 -7.387 -0.093 -8.731 1.00 0.00 C ATOM 510 C THR A 43 -5.865 -0.194 -8.822 1.00 0.00 C ATOM 511 O THR A 43 -5.276 -1.166 -8.361 1.00 0.00 O ATOM 512 CB THR A 43 -8.034 0.172 -10.092 1.00 0.00 C ATOM 513 OG1 THR A 43 -7.182 0.925 -10.940 1.00 0.00 O ATOM 514 CG2 THR A 43 -9.360 0.902 -9.987 1.00 0.00 C ATOM 0 H THR A 43 -7.212 1.757 -7.758 1.00 0.00 H new ATOM 0 HA THR A 43 -7.744 -1.063 -8.384 1.00 0.00 H new ATOM 0 HB THR A 43 -8.210 -0.816 -10.517 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.626 1.074 -11.801 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.768 1.060 -10.985 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.058 0.306 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.207 1.865 -9.501 1.00 0.00 H new ATOM 522 N ASP A 44 -5.245 0.823 -9.409 1.00 0.00 N ATOM 523 CA ASP A 44 -3.797 0.881 -9.565 1.00 0.00 C ATOM 524 C ASP A 44 -3.105 0.780 -8.213 1.00 0.00 C ATOM 525 O ASP A 44 -2.680 1.779 -7.634 1.00 0.00 O ATOM 526 CB ASP A 44 -3.391 2.178 -10.267 1.00 0.00 C ATOM 527 CG ASP A 44 -3.767 2.181 -11.736 1.00 0.00 C ATOM 528 OD1 ASP A 44 -4.900 1.766 -12.060 1.00 0.00 O ATOM 529 OD2 ASP A 44 -2.929 2.598 -12.563 1.00 0.00 O ATOM 0 H ASP A 44 -5.734 1.633 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.485 0.035 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.869 3.022 -9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.315 2.319 -10.170 1.00 0.00 H new ATOM 534 N CYS A 45 -3.011 -0.442 -7.727 1.00 0.00 N ATOM 535 CA CYS A 45 -2.386 -0.731 -6.440 1.00 0.00 C ATOM 536 C CYS A 45 -1.460 -1.938 -6.557 1.00 0.00 C ATOM 537 O CYS A 45 -1.871 -3.069 -6.308 1.00 0.00 O ATOM 538 CB CYS A 45 -3.464 -1.019 -5.395 1.00 0.00 C ATOM 539 SG CYS A 45 -4.520 0.414 -4.997 1.00 0.00 S ATOM 0 H CYS A 45 -3.365 -1.268 -8.210 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.801 0.137 -6.135 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.095 -1.832 -5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.984 -1.368 -4.481 1.00 0.00 H new ATOM 544 N ASN A 46 -0.214 -1.694 -6.950 1.00 0.00 N ATOM 545 CA ASN A 46 0.758 -2.771 -7.118 1.00 0.00 C ATOM 546 C ASN A 46 1.472 -3.109 -5.808 1.00 0.00 C ATOM 547 O ASN A 46 1.740 -4.277 -5.527 1.00 0.00 O ATOM 548 CB ASN A 46 1.792 -2.389 -8.181 1.00 0.00 C ATOM 549 CG ASN A 46 1.310 -2.655 -9.595 1.00 0.00 C ATOM 550 OD1 ASN A 46 2.047 -3.195 -10.420 1.00 0.00 O ATOM 551 ND2 ASN A 46 0.072 -2.273 -9.886 1.00 0.00 N ATOM 0 H ASN A 46 0.147 -0.763 -7.158 1.00 0.00 H new ATOM 0 HA ASN A 46 0.208 -3.656 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.037 -1.332 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.711 -2.948 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.301 -2.424 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.506 -1.829 -9.172 1.00 0.00 H new ATOM 558 N THR A 47 1.795 -2.089 -5.015 1.00 0.00 N ATOM 559 CA THR A 47 2.497 -2.303 -3.751 1.00 0.00 C ATOM 560 C THR A 47 1.534 -2.388 -2.566 1.00 0.00 C ATOM 561 O THR A 47 1.882 -2.928 -1.516 1.00 0.00 O ATOM 562 CB THR A 47 3.529 -1.190 -3.522 1.00 0.00 C ATOM 563 OG1 THR A 47 4.627 -1.675 -2.770 1.00 0.00 O ATOM 564 CG2 THR A 47 2.979 0.021 -2.793 1.00 0.00 C ATOM 0 H THR A 47 1.584 -1.113 -5.223 1.00 0.00 H new ATOM 0 HA THR A 47 3.011 -3.262 -3.821 1.00 0.00 H new ATOM 0 HB THR A 47 3.830 -0.878 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.275 -0.953 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.769 0.762 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.163 0.454 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.609 -0.281 -1.813 1.00 0.00 H new ATOM 572 N ALA A 48 0.330 -1.847 -2.732 1.00 0.00 N ATOM 573 CA ALA A 48 -0.671 -1.862 -1.665 1.00 0.00 C ATOM 574 C ALA A 48 -0.776 -3.239 -1.011 1.00 0.00 C ATOM 575 O ALA A 48 -0.686 -4.265 -1.683 1.00 0.00 O ATOM 576 CB ALA A 48 -2.024 -1.434 -2.210 1.00 0.00 C ATOM 0 H ALA A 48 0.023 -1.393 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.352 -1.155 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.761 -1.449 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.950 -0.425 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.332 -2.121 -2.998 1.00 0.00 H new ATOM 582 N GLN A 49 -0.969 -3.249 0.307 1.00 0.00 N ATOM 583 CA GLN A 49 -1.089 -4.499 1.052 1.00 0.00 C ATOM 584 C GLN A 49 -2.491 -5.091 0.920 1.00 0.00 C ATOM 585 O GLN A 49 -2.776 -6.154 1.469 1.00 0.00 O ATOM 586 CB GLN A 49 -0.762 -4.269 2.528 1.00 0.00 C ATOM 587 CG GLN A 49 0.715 -4.027 2.795 1.00 0.00 C ATOM 588 CD GLN A 49 1.567 -5.247 2.504 1.00 0.00 C ATOM 589 OE1 GLN A 49 1.490 -6.255 3.206 1.00 0.00 O ATOM 590 NE2 GLN A 49 2.387 -5.161 1.463 1.00 0.00 N ATOM 0 H GLN A 49 -1.045 -2.408 0.879 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.377 -5.208 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.333 -3.413 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.089 -5.135 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.059 -3.193 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.849 -3.735 3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.419 -4.306 0.908 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.985 -5.950 1.218 1.00 0.00 H new ATOM 599 N THR A 50 -3.360 -4.403 0.185 1.00 0.00 N ATOM 600 CA THR A 50 -4.726 -4.858 -0.027 1.00 0.00 C ATOM 601 C THR A 50 -5.482 -3.869 -0.905 1.00 0.00 C ATOM 602 O THR A 50 -5.042 -2.734 -1.093 1.00 0.00 O ATOM 603 CB THR A 50 -5.439 -5.038 1.315 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.534 -5.925 1.187 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.960 -3.746 1.903 1.00 0.00 C ATOM 0 H THR A 50 -3.137 -3.521 -0.276 1.00 0.00 H new ATOM 0 HA THR A 50 -4.699 -5.821 -0.536 1.00 0.00 H new ATOM 0 HB THR A 50 -4.681 -5.439 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.530 -6.322 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.453 -3.951 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.129 -3.059 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.674 -3.294 1.214 1.00 0.00 H new ATOM 613 N CYS A 51 -6.617 -4.297 -1.443 1.00 0.00 N ATOM 614 CA CYS A 51 -7.415 -3.430 -2.300 1.00 0.00 C ATOM 615 C CYS A 51 -8.757 -4.065 -2.648 1.00 0.00 C ATOM 616 O CYS A 51 -8.814 -5.101 -3.309 1.00 0.00 O ATOM 617 CB CYS A 51 -6.646 -3.105 -3.581 1.00 0.00 C ATOM 618 SG CYS A 51 -6.190 -4.569 -4.564 1.00 0.00 S ATOM 0 H CYS A 51 -7.003 -5.231 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.611 -2.510 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.252 -2.441 -4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.740 -2.559 -3.320 1.00 0.00 H new ATOM 623 N THR A 52 -9.835 -3.425 -2.204 1.00 0.00 N ATOM 624 CA THR A 52 -11.181 -3.908 -2.473 1.00 0.00 C ATOM 625 C THR A 52 -11.737 -3.245 -3.729 1.00 0.00 C ATOM 626 O THR A 52 -11.631 -2.031 -3.896 1.00 0.00 O ATOM 627 CB THR A 52 -12.090 -3.620 -1.276 1.00 0.00 C ATOM 628 OG1 THR A 52 -11.453 -2.749 -0.358 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.495 -4.865 -0.518 1.00 0.00 C ATOM 0 H THR A 52 -9.799 -2.567 -1.654 1.00 0.00 H new ATOM 0 HA THR A 52 -11.143 -4.985 -2.635 1.00 0.00 H new ATOM 0 HB THR A 52 -12.985 -3.163 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.052 -2.576 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.138 -4.589 0.317 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.035 -5.538 -1.185 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.604 -5.367 -0.140 1.00 0.00 H new ATOM 637 N ASN A 53 -12.320 -4.045 -4.616 1.00 0.00 N ATOM 638 CA ASN A 53 -12.876 -3.521 -5.859 1.00 0.00 C ATOM 639 C ASN A 53 -11.783 -2.853 -6.687 1.00 0.00 C ATOM 640 O ASN A 53 -12.028 -1.867 -7.382 1.00 0.00 O ATOM 641 CB ASN A 53 -13.994 -2.519 -5.561 1.00 0.00 C ATOM 642 CG ASN A 53 -15.279 -3.198 -5.132 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.883 -3.948 -5.899 1.00 0.00 O ATOM 644 ND2 ASN A 53 -15.704 -2.937 -3.902 1.00 0.00 N ATOM 0 H ASN A 53 -12.420 -5.053 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.292 -4.352 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.667 -1.837 -4.776 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.184 -1.916 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.564 -3.365 -3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.171 -2.309 -3.301 1.00 0.00 H new ATOM 651 N SER A 54 -10.573 -3.396 -6.595 1.00 0.00 N ATOM 652 CA SER A 54 -9.429 -2.857 -7.322 1.00 0.00 C ATOM 653 C SER A 54 -9.217 -3.586 -8.646 1.00 0.00 C ATOM 654 O SER A 54 -10.079 -4.336 -9.103 1.00 0.00 O ATOM 655 CB SER A 54 -8.168 -2.964 -6.461 1.00 0.00 C ATOM 656 OG SER A 54 -7.582 -1.690 -6.255 1.00 0.00 O ATOM 0 H SER A 54 -10.359 -4.212 -6.022 1.00 0.00 H new ATOM 0 HA SER A 54 -9.633 -1.809 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.417 -3.413 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.449 -3.625 -6.944 1.00 0.00 H new ATOM 0 HG SER A 54 -6.613 -1.789 -6.150 1.00 0.00 H new ATOM 662 N LYS A 55 -8.052 -3.363 -9.249 1.00 0.00 N ATOM 663 CA LYS A 55 -7.700 -3.995 -10.515 1.00 0.00 C ATOM 664 C LYS A 55 -6.214 -4.346 -10.542 1.00 0.00 C ATOM 665 O LYS A 55 -5.629 -4.533 -11.608 1.00 0.00 O ATOM 666 CB LYS A 55 -8.029 -3.061 -11.682 1.00 0.00 C ATOM 667 CG LYS A 55 -9.509 -2.735 -11.802 1.00 0.00 C ATOM 668 CD LYS A 55 -9.877 -2.334 -13.222 1.00 0.00 C ATOM 669 CE LYS A 55 -11.332 -2.647 -13.528 1.00 0.00 C ATOM 670 NZ LYS A 55 -12.252 -2.063 -12.514 1.00 0.00 N ATOM 0 H LYS A 55 -7.332 -2.744 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.282 -4.911 -10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.470 -2.133 -11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.690 -3.520 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.099 -3.601 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.761 -1.925 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.696 -1.268 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.234 -2.860 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.587 -2.260 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.471 -3.728 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.229 -2.105 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.180 -2.603 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.990 -1.072 -12.338 1.00 0.00 H new ATOM 684 N ASP A 56 -5.609 -4.421 -9.359 1.00 0.00 N ATOM 685 CA ASP A 56 -4.202 -4.730 -9.233 1.00 0.00 C ATOM 686 C ASP A 56 -3.960 -5.500 -7.928 1.00 0.00 C ATOM 687 O ASP A 56 -4.733 -6.394 -7.590 1.00 0.00 O ATOM 688 CB ASP A 56 -3.382 -3.437 -9.319 1.00 0.00 C ATOM 689 CG ASP A 56 -3.002 -3.097 -10.747 1.00 0.00 C ATOM 690 OD1 ASP A 56 -1.935 -3.557 -11.204 1.00 0.00 O ATOM 691 OD2 ASP A 56 -3.772 -2.369 -11.409 1.00 0.00 O ATOM 0 H ASP A 56 -6.085 -4.269 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.877 -5.372 -10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.956 -2.615 -8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.478 -3.541 -8.719 1.00 0.00 H new ATOM 696 N CYS A 57 -2.885 -5.159 -7.219 1.00 0.00 N ATOM 697 CA CYS A 57 -2.507 -5.803 -5.953 1.00 0.00 C ATOM 698 C CYS A 57 -1.585 -6.990 -6.207 1.00 0.00 C ATOM 699 O CYS A 57 -2.031 -8.068 -6.592 1.00 0.00 O ATOM 700 CB CYS A 57 -3.727 -6.248 -5.133 1.00 0.00 C ATOM 701 SG CYS A 57 -4.309 -5.002 -3.938 1.00 0.00 S ATOM 0 H CYS A 57 -2.243 -4.421 -7.507 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.976 -5.054 -5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.542 -6.491 -5.815 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.477 -7.163 -4.596 1.00 0.00 H new ATOM 706 N PHE A 58 -0.291 -6.774 -5.992 1.00 0.00 N ATOM 707 CA PHE A 58 0.705 -7.816 -6.200 1.00 0.00 C ATOM 708 C PHE A 58 1.123 -8.436 -4.871 1.00 0.00 C ATOM 709 O PHE A 58 1.321 -9.647 -4.773 1.00 0.00 O ATOM 710 CB PHE A 58 1.931 -7.240 -6.914 1.00 0.00 C ATOM 711 CG PHE A 58 1.661 -6.729 -8.278 1.00 0.00 C ATOM 712 CD1 PHE A 58 0.591 -5.890 -8.523 1.00 0.00 C ATOM 713 CD2 PHE A 58 2.502 -7.075 -9.316 1.00 0.00 C ATOM 714 CE1 PHE A 58 0.365 -5.410 -9.783 1.00 0.00 C ATOM 715 CE2 PHE A 58 2.282 -6.593 -10.577 1.00 0.00 C ATOM 716 CZ PHE A 58 1.213 -5.761 -10.807 1.00 0.00 C ATOM 0 H PHE A 58 0.092 -5.884 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 58 0.261 -8.593 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.341 -6.430 -6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.698 -8.012 -6.974 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.070 -5.612 -7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.340 -7.731 -9.131 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.475 -4.759 -9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.944 -6.864 -11.386 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.037 -5.379 -11.802 1.00 0.00 H new ATOM 726 N GLU A 59 1.255 -7.596 -3.850 1.00 0.00 N ATOM 727 CA GLU A 59 1.649 -8.059 -2.524 1.00 0.00 C ATOM 728 C GLU A 59 0.571 -7.733 -1.496 1.00 0.00 C ATOM 729 O GLU A 59 0.870 -7.283 -0.390 1.00 0.00 O ATOM 730 CB GLU A 59 2.977 -7.418 -2.109 1.00 0.00 C ATOM 731 CG GLU A 59 3.980 -7.294 -3.245 1.00 0.00 C ATOM 732 CD GLU A 59 4.350 -8.637 -3.844 1.00 0.00 C ATOM 733 OE1 GLU A 59 4.580 -9.589 -3.069 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.410 -8.737 -5.088 1.00 0.00 O ATOM 0 H GLU A 59 1.095 -6.591 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 59 1.775 -9.141 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.779 -6.427 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.421 -8.009 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.564 -6.655 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.881 -6.803 -2.877 1.00 0.00 H new ATOM 741 N ALA A 60 -0.686 -7.961 -1.868 1.00 0.00 N ATOM 742 CA ALA A 60 -1.805 -7.687 -0.975 1.00 0.00 C ATOM 743 C ALA A 60 -2.185 -8.919 -0.165 1.00 0.00 C ATOM 744 O ALA A 60 -2.052 -10.050 -0.633 1.00 0.00 O ATOM 745 CB ALA A 60 -3.005 -7.185 -1.763 1.00 0.00 C ATOM 0 H ALA A 60 -0.953 -8.334 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.490 -6.911 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.831 -6.986 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.738 -6.267 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.307 -7.942 -2.487 1.00 0.00 H new ATOM 751 N ASN A 61 -2.661 -8.690 1.054 1.00 0.00 N ATOM 752 CA ASN A 61 -3.068 -9.776 1.935 1.00 0.00 C ATOM 753 C ASN A 61 -4.521 -10.163 1.686 1.00 0.00 C ATOM 754 O ASN A 61 -4.877 -11.340 1.737 1.00 0.00 O ATOM 755 CB ASN A 61 -2.879 -9.372 3.398 1.00 0.00 C ATOM 756 CG ASN A 61 -1.432 -9.054 3.726 1.00 0.00 C ATOM 757 OD1 ASN A 61 -0.649 -8.700 2.846 1.00 0.00 O ATOM 758 ND2 ASN A 61 -1.072 -9.181 4.997 1.00 0.00 N ATOM 0 H ASN A 61 -2.774 -7.759 1.454 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.439 -10.640 1.720 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.498 -8.501 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.226 -10.179 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.112 -8.982 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.756 -9.478 5.693 1.00 0.00 H new ATOM 765 N THR A 62 -5.359 -9.166 1.411 1.00 0.00 N ATOM 766 CA THR A 62 -6.774 -9.410 1.151 1.00 0.00 C ATOM 767 C THR A 62 -7.168 -8.897 -0.230 1.00 0.00 C ATOM 768 O THR A 62 -6.924 -7.738 -0.566 1.00 0.00 O ATOM 769 CB THR A 62 -7.636 -8.742 2.224 1.00 0.00 C ATOM 770 OG1 THR A 62 -7.274 -9.201 3.515 1.00 0.00 O ATOM 771 CG2 THR A 62 -9.116 -8.996 2.045 1.00 0.00 C ATOM 0 H THR A 62 -5.083 -8.185 1.363 1.00 0.00 H new ATOM 0 HA THR A 62 -6.943 -10.486 1.181 1.00 0.00 H new ATOM 0 HB THR A 62 -7.452 -7.673 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.835 -8.761 4.188 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.670 -8.495 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.437 -8.609 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.309 -10.068 2.089 1.00 0.00 H new ATOM 779 N CYS A 63 -7.777 -9.769 -1.027 1.00 0.00 N ATOM 780 CA CYS A 63 -8.203 -9.407 -2.374 1.00 0.00 C ATOM 781 C CYS A 63 -9.699 -9.634 -2.558 1.00 0.00 C ATOM 782 O CYS A 63 -10.118 -10.651 -3.110 1.00 0.00 O ATOM 783 CB CYS A 63 -7.425 -10.218 -3.412 1.00 0.00 C ATOM 784 SG CYS A 63 -5.906 -9.408 -4.006 1.00 0.00 S ATOM 0 H CYS A 63 -7.987 -10.732 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.996 -8.346 -2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.163 -11.184 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.075 -10.415 -4.264 1.00 0.00 H new ATOM 789 N THR A 64 -10.500 -8.680 -2.098 1.00 0.00 N ATOM 790 CA THR A 64 -11.950 -8.778 -2.220 1.00 0.00 C ATOM 791 C THR A 64 -12.433 -8.047 -3.468 1.00 0.00 C ATOM 792 O THR A 64 -12.601 -6.827 -3.460 1.00 0.00 O ATOM 793 CB THR A 64 -12.633 -8.207 -0.973 1.00 0.00 C ATOM 794 OG1 THR A 64 -11.713 -7.468 -0.189 1.00 0.00 O ATOM 795 CG2 THR A 64 -13.241 -9.270 -0.085 1.00 0.00 C ATOM 0 H THR A 64 -10.171 -7.831 -1.638 1.00 0.00 H new ATOM 0 HA THR A 64 -12.215 -9.831 -2.311 1.00 0.00 H new ATOM 0 HB THR A 64 -13.432 -7.569 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.143 -7.192 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.708 -8.798 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.993 -9.826 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.461 -9.953 0.252 1.00 0.00 H new ATOM 803 N ASP A 65 -12.650 -8.801 -4.541 1.00 0.00 N ATOM 804 CA ASP A 65 -13.109 -8.229 -5.804 1.00 0.00 C ATOM 805 C ASP A 65 -12.006 -7.399 -6.456 1.00 0.00 C ATOM 806 O ASP A 65 -12.084 -6.171 -6.503 1.00 0.00 O ATOM 807 CB ASP A 65 -14.354 -7.364 -5.584 1.00 0.00 C ATOM 808 CG ASP A 65 -15.385 -8.046 -4.705 1.00 0.00 C ATOM 809 OD1 ASP A 65 -15.268 -9.272 -4.492 1.00 0.00 O ATOM 810 OD2 ASP A 65 -16.311 -7.355 -4.230 1.00 0.00 O ATOM 0 H ASP A 65 -12.515 -9.812 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.366 -9.052 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.060 -6.419 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.803 -7.127 -6.548 1.00 0.00 H new ATOM 815 N SER A 66 -10.979 -8.078 -6.957 1.00 0.00 N ATOM 816 CA SER A 66 -9.861 -7.402 -7.606 1.00 0.00 C ATOM 817 C SER A 66 -9.115 -8.357 -8.533 1.00 0.00 C ATOM 818 O SER A 66 -8.962 -9.538 -8.229 1.00 0.00 O ATOM 819 CB SER A 66 -8.903 -6.834 -6.557 1.00 0.00 C ATOM 820 OG SER A 66 -7.669 -6.457 -7.145 1.00 0.00 O ATOM 0 H SER A 66 -10.898 -9.094 -6.926 1.00 0.00 H new ATOM 0 HA SER A 66 -10.259 -6.582 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.359 -5.970 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.727 -7.578 -5.780 1.00 0.00 H new ATOM 0 HG SER A 66 -7.150 -5.928 -6.504 1.00 0.00 H new ATOM 826 N THR A 67 -8.654 -7.836 -9.665 1.00 0.00 N ATOM 827 CA THR A 67 -7.925 -8.648 -10.635 1.00 0.00 C ATOM 828 C THR A 67 -6.420 -8.427 -10.512 1.00 0.00 C ATOM 829 O THR A 67 -5.972 -7.427 -9.952 1.00 0.00 O ATOM 830 CB THR A 67 -8.394 -8.332 -12.060 1.00 0.00 C ATOM 831 OG1 THR A 67 -7.420 -8.723 -13.011 1.00 0.00 O ATOM 832 CG2 THR A 67 -8.690 -6.865 -12.285 1.00 0.00 C ATOM 0 H THR A 67 -8.771 -6.859 -9.934 1.00 0.00 H new ATOM 0 HA THR A 67 -8.134 -9.696 -10.422 1.00 0.00 H new ATOM 0 HB THR A 67 -9.318 -8.896 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.678 -8.082 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.017 -6.713 -13.314 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.478 -6.544 -11.603 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.789 -6.280 -12.100 1.00 0.00 H new ATOM 840 N ASN A 68 -5.648 -9.375 -11.037 1.00 0.00 N ATOM 841 CA ASN A 68 -4.189 -9.298 -10.986 1.00 0.00 C ATOM 842 C ASN A 68 -3.687 -9.407 -9.549 1.00 0.00 C ATOM 843 O ASN A 68 -2.776 -8.685 -9.144 1.00 0.00 O ATOM 844 CB ASN A 68 -3.690 -7.995 -11.617 1.00 0.00 C ATOM 845 CG ASN A 68 -4.054 -7.887 -13.084 1.00 0.00 C ATOM 846 OD1 ASN A 68 -5.016 -8.502 -13.545 1.00 0.00 O ATOM 847 ND2 ASN A 68 -3.284 -7.103 -13.829 1.00 0.00 N ATOM 0 H ASN A 68 -6.008 -10.207 -11.504 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.793 -10.137 -11.557 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.113 -7.148 -11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.607 -7.933 -11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.480 -6.992 -14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.496 -6.611 -13.406 1.00 0.00 H new ATOM 854 N CYS A 69 -4.285 -10.316 -8.785 1.00 0.00 N ATOM 855 CA CYS A 69 -3.891 -10.521 -7.395 1.00 0.00 C ATOM 856 C CYS A 69 -2.841 -11.619 -7.288 1.00 0.00 C ATOM 857 O CYS A 69 -2.944 -12.657 -7.941 1.00 0.00 O ATOM 858 CB CYS A 69 -5.110 -10.877 -6.541 1.00 0.00 C ATOM 859 SG CYS A 69 -6.101 -9.438 -6.027 1.00 0.00 S ATOM 0 H CYS A 69 -5.042 -10.921 -9.104 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.460 -9.591 -7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.746 -11.562 -7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.774 -11.410 -5.652 1.00 0.00 H new ATOM 864 N TYR A 70 -1.826 -11.385 -6.463 1.00 0.00 N ATOM 865 CA TYR A 70 -0.757 -12.357 -6.277 1.00 0.00 C ATOM 866 C TYR A 70 -0.502 -12.614 -4.796 1.00 0.00 C ATOM 867 O TYR A 70 0.010 -11.750 -4.083 1.00 0.00 O ATOM 868 CB TYR A 70 0.527 -11.870 -6.952 1.00 0.00 C ATOM 869 CG TYR A 70 0.377 -11.626 -8.436 1.00 0.00 C ATOM 870 CD1 TYR A 70 -0.217 -12.576 -9.259 1.00 0.00 C ATOM 871 CD2 TYR A 70 0.827 -10.446 -9.015 1.00 0.00 C ATOM 872 CE1 TYR A 70 -0.355 -12.356 -10.617 1.00 0.00 C ATOM 873 CE2 TYR A 70 0.691 -10.220 -10.371 1.00 0.00 C ATOM 874 CZ TYR A 70 0.100 -11.177 -11.167 1.00 0.00 C ATOM 875 OH TYR A 70 -0.037 -10.955 -12.518 1.00 0.00 O ATOM 0 H TYR A 70 -1.722 -10.532 -5.914 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.070 -13.294 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.852 -10.947 -6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.314 -12.607 -6.791 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.576 -13.500 -8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.291 -9.693 -8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.817 -13.104 -11.244 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.046 -9.297 -10.805 1.00 0.00 H new ATOM 0 HH TYR A 70 0.333 -10.076 -12.744 1.00 0.00 H new ATOM 885 N LYS A 71 -0.863 -13.810 -4.340 1.00 0.00 N ATOM 886 CA LYS A 71 -0.676 -14.194 -2.943 1.00 0.00 C ATOM 887 C LYS A 71 -1.703 -13.512 -2.045 1.00 0.00 C ATOM 888 O LYS A 71 -1.348 -12.835 -1.079 1.00 0.00 O ATOM 889 CB LYS A 71 0.743 -13.851 -2.474 1.00 0.00 C ATOM 890 CG LYS A 71 1.345 -14.893 -1.548 1.00 0.00 C ATOM 891 CD LYS A 71 1.639 -16.190 -2.284 1.00 0.00 C ATOM 892 CE LYS A 71 2.774 -16.022 -3.280 1.00 0.00 C ATOM 893 NZ LYS A 71 2.277 -15.936 -4.681 1.00 0.00 N ATOM 0 H LYS A 71 -1.289 -14.533 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.819 -15.272 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.387 -13.736 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.725 -12.889 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.265 -14.505 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.659 -15.089 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.897 -16.967 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.742 -16.524 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.338 -15.121 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.463 -16.862 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.974 -15.434 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.134 -16.895 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.375 -15.419 -4.698 1.00 0.00 H new ATOM 907 N ALA A 72 -2.979 -13.699 -2.366 1.00 0.00 N ATOM 908 CA ALA A 72 -4.056 -13.104 -1.585 1.00 0.00 C ATOM 909 C ALA A 72 -4.753 -14.154 -0.727 1.00 0.00 C ATOM 910 O ALA A 72 -4.978 -15.280 -1.167 1.00 0.00 O ATOM 911 CB ALA A 72 -5.056 -12.418 -2.504 1.00 0.00 C ATOM 0 H ALA A 72 -3.292 -14.257 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.623 -12.358 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.855 -11.978 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.552 -11.635 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.478 -13.149 -3.193 1.00 0.00 H new ATOM 917 N THR A 73 -5.092 -13.777 0.502 1.00 0.00 N ATOM 918 CA THR A 73 -5.763 -14.687 1.423 1.00 0.00 C ATOM 919 C THR A 73 -7.238 -14.834 1.064 1.00 0.00 C ATOM 920 O THR A 73 -7.760 -15.945 0.981 1.00 0.00 O ATOM 921 CB THR A 73 -5.624 -14.185 2.861 1.00 0.00 C ATOM 922 OG1 THR A 73 -6.387 -13.009 3.059 1.00 0.00 O ATOM 923 CG2 THR A 73 -4.194 -13.875 3.249 1.00 0.00 C ATOM 0 H THR A 73 -4.913 -12.848 0.883 1.00 0.00 H new ATOM 0 HA THR A 73 -5.288 -15.664 1.339 1.00 0.00 H new ATOM 0 HB THR A 73 -5.987 -15.000 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.826 -12.223 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.165 -13.524 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.588 -14.776 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.798 -13.101 2.591 1.00 0.00 H new ATOM 931 N ALA A 74 -7.905 -13.704 0.849 1.00 0.00 N ATOM 932 CA ALA A 74 -9.319 -13.706 0.496 1.00 0.00 C ATOM 933 C ALA A 74 -9.507 -13.639 -1.016 1.00 0.00 C ATOM 934 O ALA A 74 -9.711 -12.564 -1.578 1.00 0.00 O ATOM 935 CB ALA A 74 -10.033 -12.544 1.170 1.00 0.00 C ATOM 0 H ALA A 74 -7.488 -12.775 0.913 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.755 -14.640 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.088 -12.558 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.936 -12.636 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.587 -11.604 0.844 1.00 0.00 H new ATOM 941 N CYS A 75 -9.432 -14.795 -1.669 1.00 0.00 N ATOM 942 CA CYS A 75 -9.592 -14.865 -3.116 1.00 0.00 C ATOM 943 C CYS A 75 -10.960 -15.431 -3.487 1.00 0.00 C ATOM 944 O CYS A 75 -11.062 -16.515 -4.060 1.00 0.00 O ATOM 945 CB CYS A 75 -8.484 -15.724 -3.730 1.00 0.00 C ATOM 946 SG CYS A 75 -6.898 -14.851 -3.938 1.00 0.00 S ATOM 0 H CYS A 75 -9.262 -15.694 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 75 -9.520 -13.853 -3.515 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -8.325 -16.599 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.817 -16.088 -4.702 1.00 0.00 H new ATOM 951 N THR A 76 -12.012 -14.686 -3.156 1.00 0.00 N ATOM 952 CA THR A 76 -13.373 -15.112 -3.456 1.00 0.00 C ATOM 953 C THR A 76 -13.722 -14.825 -4.912 1.00 0.00 C ATOM 954 O THR A 76 -14.154 -15.713 -5.646 1.00 0.00 O ATOM 955 CB THR A 76 -14.366 -14.408 -2.532 1.00 0.00 C ATOM 956 OG1 THR A 76 -14.021 -14.615 -1.173 1.00 0.00 O ATOM 957 CG2 THR A 76 -15.794 -14.874 -2.719 1.00 0.00 C ATOM 0 H THR A 76 -11.946 -13.786 -2.681 1.00 0.00 H new ATOM 0 HA THR A 76 -13.436 -16.188 -3.291 1.00 0.00 H new ATOM 0 HB THR A 76 -14.308 -13.353 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.667 -14.155 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 76 -16.446 -14.334 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 76 -16.108 -14.681 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.858 -15.943 -2.515 1.00 0.00 H new ATOM 965 N ASN A 77 -13.529 -13.575 -5.324 1.00 0.00 N ATOM 966 CA ASN A 77 -13.820 -13.166 -6.693 1.00 0.00 C ATOM 967 C ASN A 77 -12.762 -12.190 -7.199 1.00 0.00 C ATOM 968 O ASN A 77 -13.082 -11.110 -7.696 1.00 0.00 O ATOM 969 CB ASN A 77 -15.207 -12.526 -6.772 1.00 0.00 C ATOM 970 CG ASN A 77 -15.593 -12.156 -8.191 1.00 0.00 C ATOM 971 OD1 ASN A 77 -16.009 -11.029 -8.460 1.00 0.00 O ATOM 972 ND2 ASN A 77 -15.457 -13.106 -9.109 1.00 0.00 N ATOM 0 H ASN A 77 -13.172 -12.828 -4.728 1.00 0.00 H new ATOM 0 HA ASN A 77 -13.804 -14.053 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.946 -13.216 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.228 -11.633 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.701 -12.915 -10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.108 -14.027 -8.842 1.00 0.00 H new ATOM 979 N SER A 78 -11.498 -12.578 -7.065 1.00 0.00 N ATOM 980 CA SER A 78 -10.388 -11.741 -7.503 1.00 0.00 C ATOM 981 C SER A 78 -9.581 -12.432 -8.598 1.00 0.00 C ATOM 982 O SER A 78 -9.268 -13.618 -8.495 1.00 0.00 O ATOM 983 CB SER A 78 -9.479 -11.406 -6.318 1.00 0.00 C ATOM 984 OG SER A 78 -9.540 -12.419 -5.329 1.00 0.00 O ATOM 0 H SER A 78 -11.217 -13.469 -6.656 1.00 0.00 H new ATOM 0 HA SER A 78 -10.801 -10.818 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.452 -11.292 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.777 -10.451 -5.885 1.00 0.00 H new ATOM 0 HG SER A 78 -8.770 -13.017 -5.425 1.00 0.00 H new ATOM 990 N SER A 79 -9.245 -11.683 -9.644 1.00 0.00 N ATOM 991 CA SER A 79 -8.473 -12.229 -10.755 1.00 0.00 C ATOM 992 C SER A 79 -6.979 -12.179 -10.464 1.00 0.00 C ATOM 993 O SER A 79 -6.520 -11.374 -9.653 1.00 0.00 O ATOM 994 CB SER A 79 -8.777 -11.462 -12.041 1.00 0.00 C ATOM 995 OG SER A 79 -9.163 -12.343 -13.082 1.00 0.00 O ATOM 0 H SER A 79 -9.494 -10.699 -9.745 1.00 0.00 H new ATOM 0 HA SER A 79 -8.763 -13.272 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.573 -10.740 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.897 -10.896 -12.347 1.00 0.00 H new ATOM 0 HG SER A 79 -9.354 -11.827 -13.893 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.225 -13.047 -11.132 1.00 0.00 N ATOM 1002 CA GLY A 80 -4.788 -13.088 -10.935 1.00 0.00 C ATOM 1003 C GLY A 80 -4.379 -14.013 -9.804 1.00 0.00 C ATOM 1004 O GLY A 80 -3.260 -14.524 -9.787 1.00 0.00 O ATOM 0 H GLY A 80 -6.584 -13.723 -11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.308 -13.414 -11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.425 -12.082 -10.725 1.00 0.00 H new ATOM 1008 N CYS A 81 -5.286 -14.224 -8.855 1.00 0.00 N ATOM 1009 CA CYS A 81 -5.007 -15.090 -7.714 1.00 0.00 C ATOM 1010 C CYS A 81 -5.885 -16.342 -7.750 1.00 0.00 C ATOM 1011 O CYS A 81 -6.778 -16.457 -8.590 1.00 0.00 O ATOM 1012 CB CYS A 81 -5.216 -14.317 -6.406 1.00 0.00 C ATOM 1013 SG CYS A 81 -6.952 -14.196 -5.859 1.00 0.00 S ATOM 0 H CYS A 81 -6.218 -13.809 -8.853 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.967 -15.412 -7.769 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.634 -14.798 -5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.817 -13.310 -6.528 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.642 -17.302 -6.839 1.00 0.00 N ATOM 1019 CA PRO A 82 -6.415 -18.547 -6.778 1.00 0.00 C ATOM 1020 C PRO A 82 -7.919 -18.297 -6.756 1.00 0.00 C ATOM 1021 O PRO A 82 -8.508 -18.079 -5.697 1.00 0.00 O ATOM 1022 CB PRO A 82 -5.957 -19.185 -5.466 1.00 0.00 C ATOM 1023 CG PRO A 82 -4.582 -18.653 -5.252 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.595 -17.253 -5.799 1.00 0.00 C ATOM 0 HA PRO A 82 -6.247 -19.174 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.619 -18.917 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.956 -20.273 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.322 -18.657 -4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.841 -19.266 -5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.830 -16.522 -5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.627 -16.975 -6.216 1.00 0.00 H new