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 66 SER OG : rot 163:sc= -0.212 USER MOD Set 1.2: A 78 SER OG : rot 35:sc= -1.01! USER MOD Set 2.1: A 50 THR OG1 : rot 11:sc= -0.533 USER MOD Set 2.2: A 61 ASN : amide:sc= -1.76 K(o=-1.6,f=-18!) USER MOD Set 2.3: A 62 THR OG1 : rot 55:sc= 0.703 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.713 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 -42:sc= 1 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.99) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.954 F(o=-2.6!,f=-0.95) USER MOD Single : A 26 THR OG1 : rot 58:sc= 1.02 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -6.56! C(o=-6.6!,f=-7.4!) USER MOD Single : A 30 SER OG : rot 54:sc= -2.71 USER MOD Single : A 31 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 32 HIS : no HE2:sc= -2.33! C(o=-2.3!,f=-7.6!) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0214) USER MOD Single : A 37 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.26) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.25 USER MOD Single : A 42 SER OG : rot -171:sc= -3.33! USER MOD Single : A 43 THR OG1 : rot 150:sc= -1.48 USER MOD Single : A 46 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.021!) USER MOD Single : A 47 THR OG1 : rot -69:sc= 0.0232 USER MOD Single : A 49 GLN : amide:sc= -2.78 K(o=-2.8,f=-12!) USER MOD Single : A 52 THR OG1 : rot -43:sc= 0.161 USER MOD Single : A 53 ASN : amide:sc= -1.76 K(o=-1.8,f=-3.2!) USER MOD Single : A 54 SER OG : rot -100:sc= 0.229 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.22 USER MOD Single : A 68 ASN : amide:sc=-0.00196 X(o=-0.002,f=0.072) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.0905 K(o=0.091,f=-3!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -5.921 15.282 -7.678 1.00 0.00 N ATOM 81 CA CYS A 8 -5.119 15.666 -6.521 1.00 0.00 C ATOM 82 C CYS A 8 -3.773 16.249 -6.961 1.00 0.00 C ATOM 83 O CYS A 8 -3.685 17.430 -7.295 1.00 0.00 O ATOM 84 CB CYS A 8 -4.912 14.463 -5.595 1.00 0.00 C ATOM 85 SG CYS A 8 -6.241 14.234 -4.370 1.00 0.00 S ATOM 0 HA CYS A 8 -5.656 16.438 -5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.831 13.561 -6.201 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.964 14.580 -5.070 1.00 0.00 H new ATOM 90 N THR A 9 -2.726 15.420 -6.961 1.00 0.00 N ATOM 91 CA THR A 9 -1.391 15.861 -7.363 1.00 0.00 C ATOM 92 C THR A 9 -1.047 17.220 -6.754 1.00 0.00 C ATOM 93 O THR A 9 -0.308 18.006 -7.346 1.00 0.00 O ATOM 94 CB THR A 9 -1.295 15.934 -8.887 1.00 0.00 C ATOM 95 OG1 THR A 9 -2.554 16.253 -9.454 1.00 0.00 O ATOM 96 CG2 THR A 9 -0.821 14.643 -9.518 1.00 0.00 C ATOM 0 H THR A 9 -2.779 14.439 -6.687 1.00 0.00 H new ATOM 0 HA THR A 9 -0.672 15.131 -6.991 1.00 0.00 H new ATOM 0 HB THR A 9 -0.560 16.712 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.472 16.297 -10.430 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.775 14.762 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.170 14.395 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.516 13.841 -9.271 1.00 0.00 H new ATOM 104 N SER A 10 -1.592 17.492 -5.571 1.00 0.00 N ATOM 105 CA SER A 10 -1.343 18.757 -4.889 1.00 0.00 C ATOM 106 C SER A 10 -0.969 18.528 -3.428 1.00 0.00 C ATOM 107 O SER A 10 0.099 18.944 -2.978 1.00 0.00 O ATOM 108 CB SER A 10 -2.577 19.657 -4.975 1.00 0.00 C ATOM 109 OG SER A 10 -2.311 20.940 -4.436 1.00 0.00 O ATOM 0 H SER A 10 -2.208 16.854 -5.066 1.00 0.00 H new ATOM 0 HA SER A 10 -0.506 19.248 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.889 19.754 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.405 19.197 -4.435 1.00 0.00 H new ATOM 0 HG SER A 10 -3.115 21.497 -4.504 1.00 0.00 H new ATOM 115 N CYS A 11 -1.855 17.865 -2.690 1.00 0.00 N ATOM 116 CA CYS A 11 -1.617 17.583 -1.279 1.00 0.00 C ATOM 117 C CYS A 11 -0.613 16.446 -1.116 1.00 0.00 C ATOM 118 O CYS A 11 -0.292 15.748 -2.078 1.00 0.00 O ATOM 119 CB CYS A 11 -2.932 17.225 -0.584 1.00 0.00 C ATOM 120 SG CYS A 11 -3.671 18.596 0.363 1.00 0.00 S ATOM 0 H CYS A 11 -2.744 17.513 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.202 18.478 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.647 16.889 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.758 16.385 0.089 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.780 18.196 0.912 1.00 0.00 H new ATOM 125 N THR A 12 -0.119 16.263 0.105 1.00 0.00 N ATOM 126 CA THR A 12 0.847 15.208 0.388 1.00 0.00 C ATOM 127 C THR A 12 0.354 14.305 1.513 1.00 0.00 C ATOM 128 O THR A 12 1.148 13.666 2.202 1.00 0.00 O ATOM 129 CB THR A 12 2.201 15.814 0.764 1.00 0.00 C ATOM 130 OG1 THR A 12 3.170 14.799 0.949 1.00 0.00 O ATOM 131 CG2 THR A 12 2.155 16.643 2.030 1.00 0.00 C ATOM 0 H THR A 12 -0.372 16.831 0.913 1.00 0.00 H new ATOM 0 HA THR A 12 0.962 14.606 -0.513 1.00 0.00 H new ATOM 0 HB THR A 12 2.467 16.466 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.771 14.052 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.147 17.043 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.452 17.466 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.833 16.018 2.863 1.00 0.00 H new ATOM 139 N GLY A 13 -0.963 14.256 1.693 1.00 0.00 N ATOM 140 CA GLY A 13 -1.535 13.428 2.734 1.00 0.00 C ATOM 141 C GLY A 13 -2.164 12.163 2.184 1.00 0.00 C ATOM 142 O GLY A 13 -1.510 11.391 1.482 1.00 0.00 O ATOM 0 H GLY A 13 -1.642 14.775 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.759 13.162 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.288 13.999 3.276 1.00 0.00 H new ATOM 146 N ALA A 14 -3.437 11.952 2.499 1.00 0.00 N ATOM 147 CA ALA A 14 -4.156 10.775 2.027 1.00 0.00 C ATOM 148 C ALA A 14 -5.188 11.158 0.972 1.00 0.00 C ATOM 149 O ALA A 14 -5.924 12.131 1.136 1.00 0.00 O ATOM 150 CB ALA A 14 -4.827 10.063 3.193 1.00 0.00 C ATOM 0 H ALA A 14 -3.992 12.581 3.079 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.437 10.095 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.360 9.186 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.070 9.752 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.532 10.740 3.676 1.00 0.00 H new ATOM 156 N CYS A 15 -5.239 10.389 -0.109 1.00 0.00 N ATOM 157 CA CYS A 15 -6.187 10.657 -1.189 1.00 0.00 C ATOM 158 C CYS A 15 -7.492 9.902 -0.957 1.00 0.00 C ATOM 159 O CYS A 15 -7.485 8.756 -0.513 1.00 0.00 O ATOM 160 CB CYS A 15 -5.601 10.280 -2.560 1.00 0.00 C ATOM 161 SG CYS A 15 -3.797 9.995 -2.580 1.00 0.00 S ATOM 0 H CYS A 15 -4.639 9.578 -0.263 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.389 11.728 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.100 9.378 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.836 11.074 -3.269 1.00 0.00 H new ATOM 166 N THR A 16 -8.611 10.554 -1.259 1.00 0.00 N ATOM 167 CA THR A 16 -9.925 9.943 -1.083 1.00 0.00 C ATOM 168 C THR A 16 -10.848 10.307 -2.242 1.00 0.00 C ATOM 169 O THR A 16 -11.851 10.997 -2.057 1.00 0.00 O ATOM 170 CB THR A 16 -10.545 10.388 0.242 1.00 0.00 C ATOM 171 OG1 THR A 16 -9.671 10.114 1.323 1.00 0.00 O ATOM 172 CG2 THR A 16 -11.867 9.714 0.539 1.00 0.00 C ATOM 0 H THR A 16 -8.634 11.505 -1.627 1.00 0.00 H new ATOM 0 HA THR A 16 -9.799 8.860 -1.067 1.00 0.00 H new ATOM 0 HB THR A 16 -10.716 11.459 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.085 10.407 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.253 10.074 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.580 9.947 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.722 8.635 0.590 1.00 0.00 H new ATOM 180 N GLY A 17 -10.499 9.844 -3.436 1.00 0.00 N ATOM 181 CA GLY A 17 -11.304 10.137 -4.606 1.00 0.00 C ATOM 182 C GLY A 17 -10.676 11.203 -5.482 1.00 0.00 C ATOM 183 O GLY A 17 -11.176 12.324 -5.563 1.00 0.00 O ATOM 0 H GLY A 17 -9.674 9.272 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.441 9.226 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.294 10.466 -4.290 1.00 0.00 H new ATOM 187 N CYS A 18 -9.572 10.853 -6.133 1.00 0.00 N ATOM 188 CA CYS A 18 -8.869 11.788 -7.006 1.00 0.00 C ATOM 189 C CYS A 18 -8.459 11.110 -8.310 1.00 0.00 C ATOM 190 O CYS A 18 -9.087 11.308 -9.349 1.00 0.00 O ATOM 191 CB CYS A 18 -7.635 12.350 -6.298 1.00 0.00 C ATOM 192 SG CYS A 18 -7.906 13.965 -5.501 1.00 0.00 S ATOM 0 H CYS A 18 -9.144 9.929 -6.073 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.547 12.608 -7.242 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.305 11.635 -5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.826 12.445 -7.022 1.00 0.00 H new ATOM 197 N GLY A 19 -7.400 10.309 -8.245 1.00 0.00 N ATOM 198 CA GLY A 19 -6.921 9.613 -9.426 1.00 0.00 C ATOM 199 C GLY A 19 -5.429 9.782 -9.640 1.00 0.00 C ATOM 200 O GLY A 19 -4.819 9.038 -10.405 1.00 0.00 O ATOM 0 H GLY A 19 -6.865 10.129 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.153 8.552 -9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.454 9.983 -10.302 1.00 0.00 H new ATOM 204 N ASN A 20 -4.838 10.764 -8.963 1.00 0.00 N ATOM 205 CA ASN A 20 -3.406 11.021 -9.090 1.00 0.00 C ATOM 206 C ASN A 20 -2.866 11.733 -7.854 1.00 0.00 C ATOM 207 O ASN A 20 -3.229 12.875 -7.575 1.00 0.00 O ATOM 208 CB ASN A 20 -3.106 11.856 -10.343 1.00 0.00 C ATOM 209 CG ASN A 20 -4.322 12.059 -11.230 1.00 0.00 C ATOM 210 OD1 ASN A 20 -4.594 11.258 -12.123 1.00 0.00 O ATOM 211 ND2 ASN A 20 -5.058 13.137 -10.986 1.00 0.00 N ATOM 0 H ASN A 20 -5.326 11.392 -8.324 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.908 10.056 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.719 12.829 -10.040 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.321 11.366 -10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.886 13.327 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.795 13.775 -10.235 1.00 0.00 H new ATOM 218 N CYS A 21 -1.990 11.051 -7.122 1.00 0.00 N ATOM 219 CA CYS A 21 -1.391 11.620 -5.920 1.00 0.00 C ATOM 220 C CYS A 21 0.127 11.698 -6.062 1.00 0.00 C ATOM 221 O CYS A 21 0.712 11.045 -6.927 1.00 0.00 O ATOM 222 CB CYS A 21 -1.769 10.793 -4.691 1.00 0.00 C ATOM 223 SG CYS A 21 -3.070 11.549 -3.666 1.00 0.00 S ATOM 0 H CYS A 21 -1.680 10.104 -7.340 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.777 12.631 -5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.103 9.808 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.880 10.642 -4.079 1.00 0.00 H new ATOM 228 N PRO A 22 0.788 12.512 -5.222 1.00 0.00 N ATOM 229 CA PRO A 22 2.234 12.681 -5.270 1.00 0.00 C ATOM 230 C PRO A 22 2.995 11.616 -4.475 1.00 0.00 C ATOM 231 O PRO A 22 3.454 10.625 -5.045 1.00 0.00 O ATOM 232 CB PRO A 22 2.436 14.075 -4.673 1.00 0.00 C ATOM 233 CG PRO A 22 1.262 14.307 -3.773 1.00 0.00 C ATOM 234 CD PRO A 22 0.173 13.340 -4.172 1.00 0.00 C ATOM 0 HA PRO A 22 2.625 12.574 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.372 14.130 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.485 14.832 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.544 14.155 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.911 15.335 -3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.150 12.734 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.708 13.864 -4.544 1.00 0.00 H new ATOM 242 N ASN A 23 3.140 11.819 -3.165 1.00 0.00 N ATOM 243 CA ASN A 23 3.862 10.865 -2.323 1.00 0.00 C ATOM 244 C ASN A 23 2.992 10.362 -1.176 1.00 0.00 C ATOM 245 O ASN A 23 3.504 9.924 -0.145 1.00 0.00 O ATOM 246 CB ASN A 23 5.141 11.492 -1.757 1.00 0.00 C ATOM 247 CG ASN A 23 5.626 12.681 -2.565 1.00 0.00 C ATOM 248 OD1 ASN A 23 4.907 13.792 -2.468 1.00 0.00 O flip ATOM 249 ND2 ASN A 23 6.634 12.600 -3.267 1.00 0.00 N flip ATOM 0 H ASN A 23 2.770 12.629 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 23 4.128 10.018 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.960 11.807 -0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.926 10.737 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.156 11.725 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.947 13.408 -3.805 1.00 0.00 H new ATOM 256 N ALA A 24 1.677 10.420 -1.355 1.00 0.00 N ATOM 257 CA ALA A 24 0.747 9.963 -0.325 1.00 0.00 C ATOM 258 C ALA A 24 1.094 8.549 0.135 1.00 0.00 C ATOM 259 O ALA A 24 1.596 7.740 -0.646 1.00 0.00 O ATOM 260 CB ALA A 24 -0.683 10.017 -0.844 1.00 0.00 C ATOM 0 H ALA A 24 1.231 10.777 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 24 0.834 10.629 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.365 9.674 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.932 11.042 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.777 9.374 -1.719 1.00 0.00 H new ATOM 266 N VAL A 25 0.826 8.256 1.403 1.00 0.00 N ATOM 267 CA VAL A 25 1.112 6.938 1.956 1.00 0.00 C ATOM 268 C VAL A 25 -0.012 5.962 1.636 1.00 0.00 C ATOM 269 O VAL A 25 0.215 4.763 1.491 1.00 0.00 O ATOM 270 CB VAL A 25 1.327 6.994 3.485 1.00 0.00 C ATOM 271 CG1 VAL A 25 2.235 8.158 3.852 1.00 0.00 C ATOM 272 CG2 VAL A 25 -0.002 7.096 4.221 1.00 0.00 C ATOM 0 H VAL A 25 0.412 8.912 2.065 1.00 0.00 H new ATOM 0 HA VAL A 25 2.035 6.590 1.492 1.00 0.00 H new ATOM 0 HB VAL A 25 1.810 6.067 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.376 8.183 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.201 8.034 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.779 9.092 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.179 7.134 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.522 8.001 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.615 6.226 3.987 1.00 0.00 H new ATOM 282 N THR A 26 -1.225 6.486 1.522 1.00 0.00 N ATOM 283 CA THR A 26 -2.383 5.663 1.208 1.00 0.00 C ATOM 284 C THR A 26 -3.455 6.479 0.508 1.00 0.00 C ATOM 285 O THR A 26 -3.365 7.705 0.419 1.00 0.00 O ATOM 286 CB THR A 26 -2.962 5.032 2.473 1.00 0.00 C ATOM 287 OG1 THR A 26 -4.007 4.132 2.149 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.517 6.047 3.448 1.00 0.00 C ATOM 0 H THR A 26 -1.432 7.478 1.642 1.00 0.00 H new ATOM 0 HA THR A 26 -2.051 4.870 0.538 1.00 0.00 H new ATOM 0 HB THR A 26 -2.127 4.516 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.667 3.441 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.912 5.532 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.723 6.728 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.316 6.613 2.969 1.00 0.00 H new ATOM 296 N CYS A 27 -4.469 5.789 0.018 1.00 0.00 N ATOM 297 CA CYS A 27 -5.573 6.441 -0.674 1.00 0.00 C ATOM 298 C CYS A 27 -6.840 5.601 -0.596 1.00 0.00 C ATOM 299 O CYS A 27 -6.808 4.388 -0.804 1.00 0.00 O ATOM 300 CB CYS A 27 -5.225 6.718 -2.146 1.00 0.00 C ATOM 301 SG CYS A 27 -3.593 6.105 -2.680 1.00 0.00 S ATOM 0 H CYS A 27 -4.554 4.775 0.085 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.749 7.393 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.991 6.265 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.266 7.794 -2.317 1.00 0.00 H new ATOM 306 N THR A 28 -7.956 6.258 -0.314 1.00 0.00 N ATOM 307 CA THR A 28 -9.238 5.578 -0.229 1.00 0.00 C ATOM 308 C THR A 28 -9.991 5.737 -1.541 1.00 0.00 C ATOM 309 O THR A 28 -10.602 6.775 -1.794 1.00 0.00 O ATOM 310 CB THR A 28 -10.066 6.141 0.928 1.00 0.00 C ATOM 311 OG1 THR A 28 -9.349 6.050 2.147 1.00 0.00 O ATOM 312 CG2 THR A 28 -11.389 5.431 1.120 1.00 0.00 C ATOM 0 H THR A 28 -7.998 7.262 -0.140 1.00 0.00 H new ATOM 0 HA THR A 28 -9.064 4.518 -0.043 1.00 0.00 H new ATOM 0 HB THR A 28 -10.265 7.179 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.893 6.416 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.925 5.880 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.987 5.524 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.209 4.376 1.329 1.00 0.00 H new ATOM 320 N ASN A 29 -9.923 4.708 -2.382 1.00 0.00 N ATOM 321 CA ASN A 29 -10.565 4.715 -3.676 1.00 0.00 C ATOM 322 C ASN A 29 -9.711 5.458 -4.688 1.00 0.00 C ATOM 323 O ASN A 29 -8.588 5.872 -4.398 1.00 0.00 O ATOM 324 CB ASN A 29 -11.964 5.340 -3.603 1.00 0.00 C ATOM 325 CG ASN A 29 -12.741 4.882 -2.383 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.788 5.575 -1.366 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.356 3.709 -2.478 1.00 0.00 N ATOM 0 H ASN A 29 -9.417 3.847 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.675 3.679 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.873 6.426 -3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.522 5.081 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.894 3.350 -1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.291 3.167 -3.340 1.00 0.00 H new ATOM 334 N SER A 30 -10.262 5.605 -5.875 1.00 0.00 N ATOM 335 CA SER A 30 -9.592 6.285 -6.988 1.00 0.00 C ATOM 336 C SER A 30 -8.635 5.340 -7.715 1.00 0.00 C ATOM 337 O SER A 30 -8.757 4.121 -7.608 1.00 0.00 O ATOM 338 CB SER A 30 -8.835 7.522 -6.492 1.00 0.00 C ATOM 339 OG SER A 30 -9.109 8.645 -7.311 1.00 0.00 O ATOM 0 H SER A 30 -11.193 5.257 -6.106 1.00 0.00 H new ATOM 0 HA SER A 30 -10.361 6.604 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.120 7.739 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.764 7.321 -6.490 1.00 0.00 H new ATOM 0 HG SER A 30 -10.078 8.777 -7.371 1.00 0.00 H new ATOM 345 N GLN A 31 -7.697 5.906 -8.475 1.00 0.00 N ATOM 346 CA GLN A 31 -6.742 5.101 -9.230 1.00 0.00 C ATOM 347 C GLN A 31 -5.340 5.708 -9.201 1.00 0.00 C ATOM 348 O GLN A 31 -4.946 6.419 -10.126 1.00 0.00 O ATOM 349 CB GLN A 31 -7.208 4.957 -10.680 1.00 0.00 C ATOM 350 CG GLN A 31 -6.312 4.062 -11.518 1.00 0.00 C ATOM 351 CD GLN A 31 -6.459 4.320 -13.005 1.00 0.00 C ATOM 352 OE1 GLN A 31 -6.815 3.423 -13.770 1.00 0.00 O ATOM 353 NE2 GLN A 31 -6.187 5.551 -13.421 1.00 0.00 N ATOM 0 H GLN A 31 -7.580 6.914 -8.583 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.694 4.120 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.221 4.555 -10.690 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.253 5.945 -11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.273 4.218 -11.227 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.548 3.019 -11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.895 6.263 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.270 5.785 -14.410 1.00 0.00 H new ATOM 362 N HIS A 32 -4.586 5.415 -8.144 1.00 0.00 N ATOM 363 CA HIS A 32 -3.221 5.923 -8.006 1.00 0.00 C ATOM 364 C HIS A 32 -2.675 5.645 -6.607 1.00 0.00 C ATOM 365 O HIS A 32 -2.140 6.533 -5.943 1.00 0.00 O ATOM 366 CB HIS A 32 -3.163 7.423 -8.315 1.00 0.00 C ATOM 367 CG HIS A 32 -2.303 7.748 -9.498 1.00 0.00 C ATOM 368 ND1 HIS A 32 -2.658 7.441 -10.795 1.00 0.00 N ATOM 369 CD2 HIS A 32 -1.094 8.355 -9.574 1.00 0.00 C ATOM 370 CE1 HIS A 32 -1.707 7.845 -11.617 1.00 0.00 C ATOM 371 NE2 HIS A 32 -0.748 8.404 -10.902 1.00 0.00 N ATOM 0 H HIS A 32 -4.896 4.828 -7.370 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.595 5.399 -8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.173 7.790 -8.497 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.784 7.953 -7.441 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -3.521 6.975 -11.075 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.512 8.730 -8.745 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.713 7.737 -12.692 1.00 0.00 H new ATOM 380 N CYS A 33 -2.817 4.398 -6.169 1.00 0.00 N ATOM 381 CA CYS A 33 -2.344 3.983 -4.852 1.00 0.00 C ATOM 382 C CYS A 33 -1.224 2.949 -4.978 1.00 0.00 C ATOM 383 O CYS A 33 -1.049 2.100 -4.104 1.00 0.00 O ATOM 384 CB CYS A 33 -3.511 3.395 -4.052 1.00 0.00 C ATOM 385 SG CYS A 33 -3.722 4.102 -2.387 1.00 0.00 S ATOM 0 H CYS A 33 -3.258 3.654 -6.710 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.947 4.855 -4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.432 3.545 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.365 2.319 -3.960 1.00 0.00 H new ATOM 390 N VAL A 34 -0.481 3.014 -6.081 1.00 0.00 N ATOM 391 CA VAL A 34 0.607 2.070 -6.335 1.00 0.00 C ATOM 392 C VAL A 34 1.646 2.069 -5.216 1.00 0.00 C ATOM 393 O VAL A 34 2.049 1.009 -4.737 1.00 0.00 O ATOM 394 CB VAL A 34 1.316 2.371 -7.673 1.00 0.00 C ATOM 395 CG1 VAL A 34 1.976 3.743 -7.640 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.338 1.290 -7.991 1.00 0.00 C ATOM 0 H VAL A 34 -0.612 3.711 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 34 0.143 1.085 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 34 0.565 2.376 -8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.469 3.933 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.219 4.507 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.714 3.773 -6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.827 1.519 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.084 1.250 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.836 0.325 -8.066 1.00 0.00 H new ATOM 406 N LYS A 35 2.092 3.253 -4.815 1.00 0.00 N ATOM 407 CA LYS A 35 3.098 3.370 -3.765 1.00 0.00 C ATOM 408 C LYS A 35 2.456 3.644 -2.408 1.00 0.00 C ATOM 409 O LYS A 35 3.033 4.327 -1.562 1.00 0.00 O ATOM 410 CB LYS A 35 4.113 4.467 -4.122 1.00 0.00 C ATOM 411 CG LYS A 35 3.675 5.885 -3.770 1.00 0.00 C ATOM 412 CD LYS A 35 2.271 6.186 -4.269 1.00 0.00 C ATOM 413 CE LYS A 35 1.894 7.639 -4.028 1.00 0.00 C ATOM 414 NZ LYS A 35 0.613 7.999 -4.695 1.00 0.00 N ATOM 0 H LYS A 35 1.775 4.143 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 35 3.624 2.418 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.051 4.254 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.316 4.420 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.712 6.018 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.375 6.599 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.207 5.964 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.557 5.535 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.808 7.819 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.690 8.286 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.451 9.023 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.661 7.741 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.170 7.485 -4.243 1.00 0.00 H new ATOM 428 N ALA A 36 1.260 3.105 -2.203 1.00 0.00 N ATOM 429 CA ALA A 36 0.545 3.294 -0.947 1.00 0.00 C ATOM 430 C ALA A 36 0.630 2.053 -0.066 1.00 0.00 C ATOM 431 O ALA A 36 0.775 0.935 -0.562 1.00 0.00 O ATOM 432 CB ALA A 36 -0.905 3.650 -1.218 1.00 0.00 C ATOM 0 H ALA A 36 0.766 2.535 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 36 1.019 4.116 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.429 3.789 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.951 4.572 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.378 2.845 -1.780 1.00 0.00 H new ATOM 438 N ASN A 37 0.539 2.258 1.245 1.00 0.00 N ATOM 439 CA ASN A 37 0.605 1.153 2.197 1.00 0.00 C ATOM 440 C ASN A 37 -0.670 0.313 2.163 1.00 0.00 C ATOM 441 O ASN A 37 -0.667 -0.846 2.579 1.00 0.00 O ATOM 442 CB ASN A 37 0.839 1.686 3.612 1.00 0.00 C ATOM 443 CG ASN A 37 2.309 1.728 3.979 1.00 0.00 C ATOM 444 OD1 ASN A 37 3.035 0.752 3.789 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.754 2.861 4.507 1.00 0.00 N ATOM 0 H ASN A 37 0.420 3.177 1.672 1.00 0.00 H new ATOM 0 HA ASN A 37 1.441 0.515 1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.418 2.688 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.307 1.058 4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.735 2.949 4.774 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.116 3.644 4.646 1.00 0.00 H new ATOM 452 N THR A 38 -1.760 0.898 1.670 1.00 0.00 N ATOM 453 CA THR A 38 -3.033 0.190 1.596 1.00 0.00 C ATOM 454 C THR A 38 -3.980 0.849 0.596 1.00 0.00 C ATOM 455 O THR A 38 -4.317 2.026 0.728 1.00 0.00 O ATOM 456 CB THR A 38 -3.690 0.139 2.976 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.719 0.267 3.999 1.00 0.00 O ATOM 458 CG2 THR A 38 -4.457 -1.142 3.228 1.00 0.00 C ATOM 0 H THR A 38 -1.786 1.855 1.318 1.00 0.00 H new ATOM 0 HA THR A 38 -2.830 -0.825 1.254 1.00 0.00 H new ATOM 0 HB THR A 38 -4.392 0.972 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.159 0.234 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.898 -1.112 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.248 -1.245 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.779 -1.992 3.156 1.00 0.00 H new ATOM 466 N CYS A 39 -4.418 0.077 -0.394 1.00 0.00 N ATOM 467 CA CYS A 39 -5.341 0.581 -1.407 1.00 0.00 C ATOM 468 C CYS A 39 -6.691 -0.112 -1.278 1.00 0.00 C ATOM 469 O CYS A 39 -6.776 -1.330 -1.387 1.00 0.00 O ATOM 470 CB CYS A 39 -4.794 0.366 -2.831 1.00 0.00 C ATOM 471 SG CYS A 39 -3.026 -0.076 -2.931 1.00 0.00 S ATOM 0 H CYS A 39 -4.149 -0.899 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.456 1.652 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.376 -0.421 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.956 1.278 -3.406 1.00 0.00 H new ATOM 476 N THR A 40 -7.744 0.664 -1.052 1.00 0.00 N ATOM 477 CA THR A 40 -9.078 0.106 -0.916 1.00 0.00 C ATOM 478 C THR A 40 -9.741 0.006 -2.294 1.00 0.00 C ATOM 479 O THR A 40 -9.143 -0.543 -3.220 1.00 0.00 O ATOM 480 CB THR A 40 -9.894 0.978 0.038 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.959 2.312 -0.433 1.00 0.00 O ATOM 482 CG2 THR A 40 -9.333 1.012 1.443 1.00 0.00 C ATOM 0 H THR A 40 -7.697 1.679 -0.960 1.00 0.00 H new ATOM 0 HA THR A 40 -9.024 -0.900 -0.499 1.00 0.00 H new ATOM 0 HB THR A 40 -10.884 0.524 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.802 2.720 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.958 1.648 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.317 0.002 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.319 1.410 1.420 1.00 0.00 H new ATOM 490 N GLY A 41 -10.958 0.535 -2.444 1.00 0.00 N ATOM 491 CA GLY A 41 -11.622 0.480 -3.735 1.00 0.00 C ATOM 492 C GLY A 41 -10.921 1.343 -4.750 1.00 0.00 C ATOM 493 O GLY A 41 -11.459 2.357 -5.193 1.00 0.00 O ATOM 0 H GLY A 41 -11.488 0.994 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.649 -0.551 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.656 0.808 -3.628 1.00 0.00 H new ATOM 497 N SER A 42 -9.718 0.941 -5.122 1.00 0.00 N ATOM 498 CA SER A 42 -8.937 1.685 -6.081 1.00 0.00 C ATOM 499 C SER A 42 -8.206 0.694 -6.956 1.00 0.00 C ATOM 500 O SER A 42 -8.726 -0.379 -7.217 1.00 0.00 O ATOM 501 CB SER A 42 -7.943 2.597 -5.350 1.00 0.00 C ATOM 502 OG SER A 42 -8.485 3.072 -4.132 1.00 0.00 O ATOM 0 H SER A 42 -9.264 0.099 -4.770 1.00 0.00 H new ATOM 0 HA SER A 42 -9.582 2.315 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.021 2.050 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.682 3.441 -5.989 1.00 0.00 H new ATOM 0 HG SER A 42 -7.895 3.759 -3.757 1.00 0.00 H new ATOM 508 N THR A 43 -7.004 1.032 -7.387 1.00 0.00 N ATOM 509 CA THR A 43 -6.224 0.121 -8.196 1.00 0.00 C ATOM 510 C THR A 43 -4.751 0.213 -7.801 1.00 0.00 C ATOM 511 O THR A 43 -4.451 0.360 -6.617 1.00 0.00 O ATOM 512 CB THR A 43 -6.465 0.401 -9.676 1.00 0.00 C ATOM 513 OG1 THR A 43 -5.574 1.389 -10.164 1.00 0.00 O ATOM 514 CG2 THR A 43 -7.881 0.862 -9.966 1.00 0.00 C ATOM 0 H THR A 43 -6.552 1.925 -7.191 1.00 0.00 H new ATOM 0 HA THR A 43 -6.538 -0.907 -8.017 1.00 0.00 H new ATOM 0 HB THR A 43 -6.295 -0.550 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.394 1.227 -11.114 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.992 1.046 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.586 0.091 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.084 1.781 -9.417 1.00 0.00 H new ATOM 522 N ASP A 44 -3.837 0.147 -8.776 1.00 0.00 N ATOM 523 CA ASP A 44 -2.397 0.241 -8.502 1.00 0.00 C ATOM 524 C ASP A 44 -2.072 -0.089 -7.043 1.00 0.00 C ATOM 525 O ASP A 44 -2.063 0.793 -6.188 1.00 0.00 O ATOM 526 CB ASP A 44 -1.896 1.646 -8.844 1.00 0.00 C ATOM 527 CG ASP A 44 -1.113 1.685 -10.142 1.00 0.00 C ATOM 528 OD1 ASP A 44 -1.149 0.684 -10.890 1.00 0.00 O ATOM 529 OD2 ASP A 44 -0.463 2.717 -10.413 1.00 0.00 O ATOM 0 H ASP A 44 -4.068 0.029 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.890 -0.494 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.747 2.324 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.266 2.011 -8.033 1.00 0.00 H new ATOM 534 N CYS A 45 -1.823 -1.361 -6.765 1.00 0.00 N ATOM 535 CA CYS A 45 -1.516 -1.805 -5.408 1.00 0.00 C ATOM 536 C CYS A 45 -0.336 -2.777 -5.415 1.00 0.00 C ATOM 537 O CYS A 45 -0.515 -3.989 -5.298 1.00 0.00 O ATOM 538 CB CYS A 45 -2.749 -2.480 -4.800 1.00 0.00 C ATOM 539 SG CYS A 45 -3.035 -2.106 -3.037 1.00 0.00 S ATOM 0 H CYS A 45 -1.827 -2.107 -7.461 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.243 -0.938 -4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.629 -2.178 -5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.650 -3.559 -4.917 1.00 0.00 H new ATOM 544 N ASN A 46 0.872 -2.237 -5.565 1.00 0.00 N ATOM 545 CA ASN A 46 2.078 -3.060 -5.601 1.00 0.00 C ATOM 546 C ASN A 46 2.877 -2.953 -4.303 1.00 0.00 C ATOM 547 O ASN A 46 3.630 -3.861 -3.954 1.00 0.00 O ATOM 548 CB ASN A 46 2.957 -2.654 -6.785 1.00 0.00 C ATOM 549 CG ASN A 46 3.929 -3.746 -7.185 1.00 0.00 C ATOM 550 OD1 ASN A 46 4.620 -4.319 -6.343 1.00 0.00 O ATOM 551 ND2 ASN A 46 3.988 -4.041 -8.479 1.00 0.00 N ATOM 0 H ASN A 46 1.041 -1.236 -5.663 1.00 0.00 H new ATOM 0 HA ASN A 46 1.764 -4.097 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.323 -2.406 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.513 -1.752 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.624 -4.767 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.397 -3.541 -9.143 1.00 0.00 H new ATOM 558 N THR A 47 2.717 -1.841 -3.594 1.00 0.00 N ATOM 559 CA THR A 47 3.436 -1.630 -2.341 1.00 0.00 C ATOM 560 C THR A 47 2.550 -1.935 -1.135 1.00 0.00 C ATOM 561 O THR A 47 3.046 -2.252 -0.054 1.00 0.00 O ATOM 562 CB THR A 47 3.946 -0.190 -2.258 1.00 0.00 C ATOM 563 OG1 THR A 47 2.871 0.728 -2.332 1.00 0.00 O ATOM 564 CG2 THR A 47 4.929 0.161 -3.354 1.00 0.00 C ATOM 0 H THR A 47 2.099 -1.075 -3.863 1.00 0.00 H new ATOM 0 HA THR A 47 4.284 -2.315 -2.325 1.00 0.00 H new ATOM 0 HB THR A 47 4.458 -0.120 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.486 0.709 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.251 1.196 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.795 -0.498 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.450 0.038 -4.325 1.00 0.00 H new ATOM 572 N ALA A 48 1.239 -1.833 -1.325 1.00 0.00 N ATOM 573 CA ALA A 48 0.288 -2.093 -0.251 1.00 0.00 C ATOM 574 C ALA A 48 0.223 -3.580 0.090 1.00 0.00 C ATOM 575 O ALA A 48 0.880 -4.402 -0.550 1.00 0.00 O ATOM 576 CB ALA A 48 -1.082 -1.569 -0.636 1.00 0.00 C ATOM 0 H ALA A 48 0.811 -1.572 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 48 0.630 -1.569 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.787 -1.767 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.024 -0.495 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.420 -2.068 -1.544 1.00 0.00 H new ATOM 582 N GLN A 49 -0.559 -3.919 1.115 1.00 0.00 N ATOM 583 CA GLN A 49 -0.688 -5.310 1.549 1.00 0.00 C ATOM 584 C GLN A 49 -2.096 -5.870 1.330 1.00 0.00 C ATOM 585 O GLN A 49 -2.365 -7.016 1.692 1.00 0.00 O ATOM 586 CB GLN A 49 -0.302 -5.448 3.029 1.00 0.00 C ATOM 587 CG GLN A 49 -0.527 -4.188 3.851 1.00 0.00 C ATOM 588 CD GLN A 49 0.665 -3.251 3.816 1.00 0.00 C ATOM 589 OE1 GLN A 49 0.987 -2.676 2.777 1.00 0.00 O ATOM 590 NE2 GLN A 49 1.329 -3.094 4.956 1.00 0.00 N ATOM 0 H GLN A 49 -1.110 -3.254 1.658 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.005 -5.893 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.877 -6.263 3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.749 -5.728 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.407 -3.666 3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.737 -4.465 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.027 -3.590 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.140 -2.477 4.993 1.00 0.00 H new ATOM 599 N THR A 50 -2.996 -5.081 0.745 1.00 0.00 N ATOM 600 CA THR A 50 -4.360 -5.555 0.506 1.00 0.00 C ATOM 601 C THR A 50 -5.186 -4.545 -0.295 1.00 0.00 C ATOM 602 O THR A 50 -4.797 -3.387 -0.444 1.00 0.00 O ATOM 603 CB THR A 50 -5.042 -5.857 1.844 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.141 -6.733 1.664 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.547 -4.623 2.562 1.00 0.00 C ATOM 0 H THR A 50 -2.812 -4.128 0.432 1.00 0.00 H new ATOM 0 HA THR A 50 -4.299 -6.466 -0.089 1.00 0.00 H new ATOM 0 HB THR A 50 -4.267 -6.316 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.122 -7.100 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.018 -4.915 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.711 -3.954 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.276 -4.110 1.935 1.00 0.00 H new ATOM 613 N CYS A 51 -6.334 -5.000 -0.800 1.00 0.00 N ATOM 614 CA CYS A 51 -7.227 -4.145 -1.579 1.00 0.00 C ATOM 615 C CYS A 51 -8.679 -4.596 -1.444 1.00 0.00 C ATOM 616 O CYS A 51 -8.964 -5.628 -0.837 1.00 0.00 O ATOM 617 CB CYS A 51 -6.824 -4.143 -3.056 1.00 0.00 C ATOM 618 SG CYS A 51 -6.981 -5.773 -3.862 1.00 0.00 S ATOM 0 H CYS A 51 -6.666 -5.957 -0.682 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.138 -3.133 -1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.442 -3.422 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.792 -3.803 -3.141 1.00 0.00 H new ATOM 623 N THR A 52 -9.592 -3.815 -2.017 1.00 0.00 N ATOM 624 CA THR A 52 -11.016 -4.134 -1.963 1.00 0.00 C ATOM 625 C THR A 52 -11.688 -3.930 -3.326 1.00 0.00 C ATOM 626 O THR A 52 -12.912 -3.949 -3.424 1.00 0.00 O ATOM 627 CB THR A 52 -11.710 -3.277 -0.897 1.00 0.00 C ATOM 628 OG1 THR A 52 -12.945 -3.856 -0.515 1.00 0.00 O ATOM 629 CG2 THR A 52 -11.989 -1.856 -1.342 1.00 0.00 C ATOM 0 H THR A 52 -9.371 -2.958 -2.523 1.00 0.00 H new ATOM 0 HA THR A 52 -11.114 -5.186 -1.696 1.00 0.00 H new ATOM 0 HB THR A 52 -11.010 -3.243 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.421 -4.167 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.481 -1.312 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.050 -1.362 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.637 -1.870 -2.218 1.00 0.00 H new ATOM 637 N ASN A 53 -10.869 -3.741 -4.365 1.00 0.00 N ATOM 638 CA ASN A 53 -11.347 -3.537 -5.737 1.00 0.00 C ATOM 639 C ASN A 53 -10.253 -2.889 -6.592 1.00 0.00 C ATOM 640 O ASN A 53 -10.530 -2.025 -7.422 1.00 0.00 O ATOM 641 CB ASN A 53 -12.609 -2.661 -5.771 1.00 0.00 C ATOM 642 CG ASN A 53 -13.169 -2.509 -7.172 1.00 0.00 C ATOM 643 OD1 ASN A 53 -12.852 -3.289 -8.068 1.00 0.00 O ATOM 644 ND2 ASN A 53 -14.007 -1.497 -7.368 1.00 0.00 N ATOM 0 H ASN A 53 -9.853 -3.725 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.598 -4.517 -6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.369 -3.099 -5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.375 -1.676 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.414 -1.344 -8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.243 -0.873 -6.596 1.00 0.00 H new ATOM 651 N SER A 54 -9.009 -3.316 -6.383 1.00 0.00 N ATOM 652 CA SER A 54 -7.876 -2.779 -7.134 1.00 0.00 C ATOM 653 C SER A 54 -7.449 -3.746 -8.236 1.00 0.00 C ATOM 654 O SER A 54 -7.428 -4.960 -8.040 1.00 0.00 O ATOM 655 CB SER A 54 -6.703 -2.489 -6.192 1.00 0.00 C ATOM 656 OG SER A 54 -5.458 -2.646 -6.855 1.00 0.00 O ATOM 0 H SER A 54 -8.760 -4.032 -5.700 1.00 0.00 H new ATOM 0 HA SER A 54 -8.187 -1.845 -7.602 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.786 -1.473 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.748 -3.160 -5.334 1.00 0.00 H new ATOM 0 HG SER A 54 -5.076 -3.520 -6.631 1.00 0.00 H new ATOM 662 N LYS A 55 -7.114 -3.202 -9.400 1.00 0.00 N ATOM 663 CA LYS A 55 -6.700 -4.023 -10.532 1.00 0.00 C ATOM 664 C LYS A 55 -5.186 -4.214 -10.565 1.00 0.00 C ATOM 665 O LYS A 55 -4.616 -4.511 -11.615 1.00 0.00 O ATOM 666 CB LYS A 55 -7.172 -3.387 -11.840 1.00 0.00 C ATOM 667 CG LYS A 55 -8.658 -3.069 -11.856 1.00 0.00 C ATOM 668 CD LYS A 55 -9.014 -2.106 -12.978 1.00 0.00 C ATOM 669 CE LYS A 55 -10.150 -2.643 -13.834 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.695 -3.731 -14.741 1.00 0.00 N ATOM 0 H LYS A 55 -7.121 -2.199 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.159 -5.005 -10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.610 -2.469 -12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.943 -4.061 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.227 -3.991 -11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.948 -2.636 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.300 -1.143 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.137 -1.933 -13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.945 -3.017 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.574 -1.831 -14.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.499 -4.070 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.954 -3.368 -15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.314 -4.517 -14.177 1.00 0.00 H new ATOM 684 N ASP A 56 -4.535 -4.047 -9.417 1.00 0.00 N ATOM 685 CA ASP A 56 -3.088 -4.208 -9.338 1.00 0.00 C ATOM 686 C ASP A 56 -2.662 -4.732 -7.968 1.00 0.00 C ATOM 687 O ASP A 56 -1.577 -4.413 -7.482 1.00 0.00 O ATOM 688 CB ASP A 56 -2.393 -2.881 -9.639 1.00 0.00 C ATOM 689 CG ASP A 56 -2.245 -2.631 -11.127 1.00 0.00 C ATOM 690 OD1 ASP A 56 -2.120 -3.616 -11.885 1.00 0.00 O ATOM 691 OD2 ASP A 56 -2.251 -1.451 -11.535 1.00 0.00 O ATOM 0 H ASP A 56 -4.984 -3.802 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.789 -4.943 -10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.962 -2.066 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.408 -2.876 -9.173 1.00 0.00 H new ATOM 696 N CYS A 57 -3.518 -5.543 -7.352 1.00 0.00 N ATOM 697 CA CYS A 57 -3.225 -6.116 -6.041 1.00 0.00 C ATOM 698 C CYS A 57 -2.188 -7.230 -6.154 1.00 0.00 C ATOM 699 O CYS A 57 -2.509 -8.408 -6.003 1.00 0.00 O ATOM 700 CB CYS A 57 -4.505 -6.655 -5.394 1.00 0.00 C ATOM 701 SG CYS A 57 -5.959 -5.577 -5.606 1.00 0.00 S ATOM 0 H CYS A 57 -4.420 -5.818 -7.740 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.816 -5.326 -5.411 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.728 -7.635 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.327 -6.801 -4.329 1.00 0.00 H new ATOM 706 N PHE A 58 -0.943 -6.851 -6.423 1.00 0.00 N ATOM 707 CA PHE A 58 0.138 -7.822 -6.561 1.00 0.00 C ATOM 708 C PHE A 58 0.672 -8.249 -5.198 1.00 0.00 C ATOM 709 O PHE A 58 0.724 -9.440 -4.887 1.00 0.00 O ATOM 710 CB PHE A 58 1.275 -7.241 -7.406 1.00 0.00 C ATOM 711 CG PHE A 58 0.826 -6.570 -8.642 1.00 0.00 C ATOM 712 CD1 PHE A 58 0.485 -7.313 -9.753 1.00 0.00 C ATOM 713 CD2 PHE A 58 0.772 -5.193 -8.703 1.00 0.00 C ATOM 714 CE1 PHE A 58 0.089 -6.692 -10.908 1.00 0.00 C ATOM 715 CE2 PHE A 58 0.383 -4.565 -9.856 1.00 0.00 C ATOM 716 CZ PHE A 58 0.042 -5.318 -10.955 1.00 0.00 C ATOM 0 H PHE A 58 -0.657 -5.880 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.267 -8.701 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.835 -6.528 -6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.963 -8.044 -7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.531 -8.391 -9.712 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.038 -4.607 -7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.184 -7.276 -11.774 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.344 -3.487 -9.902 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.266 -4.825 -11.865 1.00 0.00 H new ATOM 726 N GLU A 59 1.072 -7.274 -4.390 1.00 0.00 N ATOM 727 CA GLU A 59 1.605 -7.552 -3.061 1.00 0.00 C ATOM 728 C GLU A 59 0.519 -7.421 -2.000 1.00 0.00 C ATOM 729 O GLU A 59 0.755 -6.889 -0.916 1.00 0.00 O ATOM 730 CB GLU A 59 2.760 -6.599 -2.745 1.00 0.00 C ATOM 731 CG GLU A 59 4.113 -7.105 -3.217 1.00 0.00 C ATOM 732 CD GLU A 59 5.023 -7.499 -2.070 1.00 0.00 C ATOM 733 OE1 GLU A 59 4.617 -8.356 -1.258 1.00 0.00 O ATOM 734 OE2 GLU A 59 6.141 -6.948 -1.983 1.00 0.00 O ATOM 0 H GLU A 59 1.037 -6.284 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 59 1.974 -8.578 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.561 -5.633 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.799 -6.433 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.967 -7.965 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.599 -6.331 -3.811 1.00 0.00 H new ATOM 741 N ALA A 60 -0.674 -7.907 -2.322 1.00 0.00 N ATOM 742 CA ALA A 60 -1.796 -7.841 -1.395 1.00 0.00 C ATOM 743 C ALA A 60 -2.174 -9.224 -0.880 1.00 0.00 C ATOM 744 O ALA A 60 -2.211 -10.193 -1.639 1.00 0.00 O ATOM 745 CB ALA A 60 -2.993 -7.182 -2.062 1.00 0.00 C ATOM 0 H ALA A 60 -0.888 -8.350 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.488 -7.238 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.824 -7.139 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.727 -6.171 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.288 -7.763 -2.936 1.00 0.00 H new ATOM 751 N ASN A 61 -2.462 -9.307 0.415 1.00 0.00 N ATOM 752 CA ASN A 61 -2.846 -10.569 1.033 1.00 0.00 C ATOM 753 C ASN A 61 -4.349 -10.793 0.908 1.00 0.00 C ATOM 754 O ASN A 61 -4.813 -11.931 0.827 1.00 0.00 O ATOM 755 CB ASN A 61 -2.432 -10.592 2.507 1.00 0.00 C ATOM 756 CG ASN A 61 -2.864 -9.344 3.253 1.00 0.00 C ATOM 757 OD1 ASN A 61 -3.846 -8.697 2.890 1.00 0.00 O ATOM 758 ND2 ASN A 61 -2.127 -8.998 4.302 1.00 0.00 N ATOM 0 H ASN A 61 -2.436 -8.514 1.056 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.329 -11.374 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.866 -11.468 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.349 -10.695 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.367 -8.167 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.321 -9.564 4.568 1.00 0.00 H new ATOM 765 N THR A 62 -5.105 -9.700 0.887 1.00 0.00 N ATOM 766 CA THR A 62 -6.556 -9.775 0.767 1.00 0.00 C ATOM 767 C THR A 62 -7.043 -8.901 -0.385 1.00 0.00 C ATOM 768 O THR A 62 -6.609 -7.759 -0.534 1.00 0.00 O ATOM 769 CB THR A 62 -7.224 -9.341 2.075 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.274 -9.266 3.124 1.00 0.00 O ATOM 771 CG2 THR A 62 -8.327 -10.276 2.522 1.00 0.00 C ATOM 0 H THR A 62 -4.736 -8.751 0.952 1.00 0.00 H new ATOM 0 HA THR A 62 -6.830 -10.810 0.560 1.00 0.00 H new ATOM 0 HB THR A 62 -7.659 -8.364 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.535 -8.681 2.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.758 -9.911 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.101 -10.318 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.917 -11.274 2.678 1.00 0.00 H new ATOM 779 N CYS A 63 -7.940 -9.443 -1.200 1.00 0.00 N ATOM 780 CA CYS A 63 -8.473 -8.703 -2.337 1.00 0.00 C ATOM 781 C CYS A 63 -9.886 -9.158 -2.682 1.00 0.00 C ATOM 782 O CYS A 63 -10.081 -10.214 -3.283 1.00 0.00 O ATOM 783 CB CYS A 63 -7.562 -8.868 -3.554 1.00 0.00 C ATOM 784 SG CYS A 63 -7.229 -10.600 -4.009 1.00 0.00 S ATOM 0 H CYS A 63 -8.312 -10.387 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.512 -7.650 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.017 -8.362 -4.405 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.614 -8.368 -3.355 1.00 0.00 H new ATOM 789 N THR A 64 -10.867 -8.347 -2.304 1.00 0.00 N ATOM 790 CA THR A 64 -12.265 -8.653 -2.580 1.00 0.00 C ATOM 791 C THR A 64 -12.850 -7.618 -3.532 1.00 0.00 C ATOM 792 O THR A 64 -12.716 -6.417 -3.307 1.00 0.00 O ATOM 793 CB THR A 64 -13.072 -8.688 -1.282 1.00 0.00 C ATOM 794 OG1 THR A 64 -12.470 -7.870 -0.294 1.00 0.00 O ATOM 795 CG2 THR A 64 -13.212 -10.079 -0.702 1.00 0.00 C ATOM 0 H THR A 64 -10.719 -7.470 -1.804 1.00 0.00 H new ATOM 0 HA THR A 64 -12.319 -9.636 -3.049 1.00 0.00 H new ATOM 0 HB THR A 64 -14.063 -8.321 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.002 -7.905 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.795 -10.033 0.218 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.718 -10.724 -1.421 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.224 -10.484 -0.485 1.00 0.00 H new ATOM 803 N ASP A 65 -13.490 -8.087 -4.600 1.00 0.00 N ATOM 804 CA ASP A 65 -14.087 -7.194 -5.594 1.00 0.00 C ATOM 805 C ASP A 65 -13.016 -6.607 -6.509 1.00 0.00 C ATOM 806 O ASP A 65 -13.232 -5.579 -7.149 1.00 0.00 O ATOM 807 CB ASP A 65 -14.847 -6.052 -4.912 1.00 0.00 C ATOM 808 CG ASP A 65 -15.630 -6.517 -3.698 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.005 -7.706 -3.653 1.00 0.00 O ATOM 810 OD2 ASP A 65 -15.864 -5.690 -2.792 1.00 0.00 O ATOM 0 H ASP A 65 -13.609 -9.080 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.783 -7.784 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.140 -5.279 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.531 -5.596 -5.628 1.00 0.00 H new ATOM 815 N SER A 66 -11.860 -7.260 -6.558 1.00 0.00 N ATOM 816 CA SER A 66 -10.757 -6.792 -7.386 1.00 0.00 C ATOM 817 C SER A 66 -10.279 -7.883 -8.340 1.00 0.00 C ATOM 818 O SER A 66 -10.846 -8.972 -8.386 1.00 0.00 O ATOM 819 CB SER A 66 -9.603 -6.326 -6.498 1.00 0.00 C ATOM 820 OG SER A 66 -8.668 -7.369 -6.275 1.00 0.00 O ATOM 0 H SER A 66 -11.664 -8.113 -6.035 1.00 0.00 H new ATOM 0 HA SER A 66 -11.113 -5.955 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.101 -5.479 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.995 -5.976 -5.543 1.00 0.00 H new ATOM 0 HG SER A 66 -7.824 -6.989 -5.953 1.00 0.00 H new ATOM 826 N THR A 67 -9.235 -7.576 -9.104 1.00 0.00 N ATOM 827 CA THR A 67 -8.679 -8.524 -10.056 1.00 0.00 C ATOM 828 C THR A 67 -7.154 -8.456 -10.078 1.00 0.00 C ATOM 829 O THR A 67 -6.556 -7.506 -9.577 1.00 0.00 O ATOM 830 CB THR A 67 -9.240 -8.250 -11.446 1.00 0.00 C ATOM 831 OG1 THR A 67 -8.561 -9.011 -12.427 1.00 0.00 O ATOM 832 CG2 THR A 67 -9.154 -6.796 -11.843 1.00 0.00 C ATOM 0 H THR A 67 -8.758 -6.675 -9.080 1.00 0.00 H new ATOM 0 HA THR A 67 -8.964 -9.529 -9.744 1.00 0.00 H new ATOM 0 HB THR A 67 -10.291 -8.535 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.940 -8.819 -13.310 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.569 -6.667 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.719 -6.191 -11.134 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.111 -6.479 -11.840 1.00 0.00 H new ATOM 840 N ASN A 68 -6.534 -9.474 -10.668 1.00 0.00 N ATOM 841 CA ASN A 68 -5.080 -9.539 -10.764 1.00 0.00 C ATOM 842 C ASN A 68 -4.432 -9.586 -9.381 1.00 0.00 C ATOM 843 O ASN A 68 -3.574 -8.764 -9.059 1.00 0.00 O ATOM 844 CB ASN A 68 -4.543 -8.340 -11.551 1.00 0.00 C ATOM 845 CG ASN A 68 -5.286 -8.129 -12.856 1.00 0.00 C ATOM 846 OD1 ASN A 68 -5.801 -7.044 -13.122 1.00 0.00 O ATOM 847 ND2 ASN A 68 -5.342 -9.170 -13.680 1.00 0.00 N ATOM 0 H ASN A 68 -7.018 -10.267 -11.088 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.824 -10.458 -11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.624 -7.441 -10.940 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.483 -8.490 -11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.826 -9.087 -14.574 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.900 -10.052 -13.419 1.00 0.00 H new ATOM 854 N CYS A 69 -4.841 -10.557 -8.569 1.00 0.00 N ATOM 855 CA CYS A 69 -4.287 -10.707 -7.227 1.00 0.00 C ATOM 856 C CYS A 69 -3.039 -11.587 -7.253 1.00 0.00 C ATOM 857 O CYS A 69 -3.050 -12.719 -6.767 1.00 0.00 O ATOM 858 CB CYS A 69 -5.329 -11.295 -6.276 1.00 0.00 C ATOM 859 SG CYS A 69 -5.289 -10.575 -4.603 1.00 0.00 S ATOM 0 H CYS A 69 -5.550 -11.248 -8.815 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.006 -9.718 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.321 -11.145 -6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.173 -12.371 -6.202 1.00 0.00 H new ATOM 864 N TYR A 70 -1.967 -11.055 -7.831 1.00 0.00 N ATOM 865 CA TYR A 70 -0.700 -11.770 -7.940 1.00 0.00 C ATOM 866 C TYR A 70 -0.289 -12.387 -6.608 1.00 0.00 C ATOM 867 O TYR A 70 0.371 -11.747 -5.789 1.00 0.00 O ATOM 868 CB TYR A 70 0.394 -10.825 -8.442 1.00 0.00 C ATOM 869 CG TYR A 70 0.968 -11.215 -9.785 1.00 0.00 C ATOM 870 CD1 TYR A 70 0.151 -11.697 -10.801 1.00 0.00 C ATOM 871 CD2 TYR A 70 2.330 -11.103 -10.037 1.00 0.00 C ATOM 872 CE1 TYR A 70 0.674 -12.055 -12.028 1.00 0.00 C ATOM 873 CE2 TYR A 70 2.860 -11.457 -11.263 1.00 0.00 C ATOM 874 CZ TYR A 70 2.030 -11.934 -12.254 1.00 0.00 C ATOM 875 OH TYR A 70 2.555 -12.288 -13.476 1.00 0.00 O ATOM 0 H TYR A 70 -1.952 -10.119 -8.236 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.834 -12.581 -8.656 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.013 -9.816 -8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.199 -10.794 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.911 -11.793 -10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.985 -10.733 -9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.025 -12.428 -12.807 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.920 -11.360 -11.444 1.00 0.00 H new ATOM 0 HH TYR A 70 3.524 -12.141 -13.471 1.00 0.00 H new ATOM 885 N LYS A 71 -0.682 -13.638 -6.410 1.00 0.00 N ATOM 886 CA LYS A 71 -0.360 -14.371 -5.187 1.00 0.00 C ATOM 887 C LYS A 71 -1.198 -13.876 -4.010 1.00 0.00 C ATOM 888 O LYS A 71 -0.730 -13.088 -3.189 1.00 0.00 O ATOM 889 CB LYS A 71 1.134 -14.249 -4.859 1.00 0.00 C ATOM 890 CG LYS A 71 1.872 -15.578 -4.893 1.00 0.00 C ATOM 891 CD LYS A 71 2.846 -15.650 -6.059 1.00 0.00 C ATOM 892 CE LYS A 71 2.144 -16.028 -7.354 1.00 0.00 C ATOM 893 NZ LYS A 71 2.217 -14.936 -8.365 1.00 0.00 N ATOM 0 H LYS A 71 -1.229 -14.172 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.597 -15.421 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.599 -13.566 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.246 -13.805 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.413 -15.718 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.152 -16.393 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.340 -14.686 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.624 -16.382 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.597 -16.931 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.100 -16.261 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.727 -15.233 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.762 -14.081 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.213 -14.731 -8.583 1.00 0.00 H new ATOM 907 N ALA A 72 -2.439 -14.347 -3.936 1.00 0.00 N ATOM 908 CA ALA A 72 -3.341 -13.956 -2.860 1.00 0.00 C ATOM 909 C ALA A 72 -3.612 -15.123 -1.915 1.00 0.00 C ATOM 910 O ALA A 72 -3.228 -16.260 -2.190 1.00 0.00 O ATOM 911 CB ALA A 72 -4.647 -13.430 -3.434 1.00 0.00 C ATOM 0 H ALA A 72 -2.842 -15.000 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.859 -13.163 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.312 -13.141 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.445 -12.563 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.121 -14.208 -4.032 1.00 0.00 H new ATOM 917 N THR A 73 -4.278 -14.833 -0.802 1.00 0.00 N ATOM 918 CA THR A 73 -4.603 -15.856 0.185 1.00 0.00 C ATOM 919 C THR A 73 -6.114 -16.053 0.279 1.00 0.00 C ATOM 920 O THR A 73 -6.598 -17.178 0.401 1.00 0.00 O ATOM 921 CB THR A 73 -4.040 -15.472 1.554 1.00 0.00 C ATOM 922 OG1 THR A 73 -4.667 -14.299 2.042 1.00 0.00 O ATOM 923 CG2 THR A 73 -2.548 -15.222 1.538 1.00 0.00 C ATOM 0 H THR A 73 -4.603 -13.897 -0.561 1.00 0.00 H new ATOM 0 HA THR A 73 -4.149 -16.794 -0.134 1.00 0.00 H new ATOM 0 HB THR A 73 -4.242 -16.326 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.381 -13.529 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.213 -14.954 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.031 -16.125 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.323 -14.407 0.850 1.00 0.00 H new ATOM 931 N ALA A 74 -6.851 -14.949 0.216 1.00 0.00 N ATOM 932 CA ALA A 74 -8.307 -14.993 0.288 1.00 0.00 C ATOM 933 C ALA A 74 -8.927 -14.365 -0.954 1.00 0.00 C ATOM 934 O ALA A 74 -8.662 -13.206 -1.274 1.00 0.00 O ATOM 935 CB ALA A 74 -8.796 -14.286 1.545 1.00 0.00 C ATOM 0 H ALA A 74 -6.463 -14.011 0.115 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.618 -16.037 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.884 -14.327 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.382 -14.779 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.472 -13.245 1.526 1.00 0.00 H new ATOM 941 N CYS A 75 -9.748 -15.138 -1.658 1.00 0.00 N ATOM 942 CA CYS A 75 -10.394 -14.652 -2.871 1.00 0.00 C ATOM 943 C CYS A 75 -11.762 -15.302 -3.065 1.00 0.00 C ATOM 944 O CYS A 75 -11.917 -16.512 -2.901 1.00 0.00 O ATOM 945 CB CYS A 75 -9.493 -14.916 -4.083 1.00 0.00 C ATOM 946 SG CYS A 75 -10.309 -14.721 -5.703 1.00 0.00 S ATOM 0 H CYS A 75 -9.981 -16.100 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 75 -10.550 -13.578 -2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -8.640 -14.238 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -9.099 -15.930 -4.011 1.00 0.00 H new ATOM 951 N THR A 76 -12.750 -14.484 -3.417 1.00 0.00 N ATOM 952 CA THR A 76 -14.108 -14.966 -3.640 1.00 0.00 C ATOM 953 C THR A 76 -14.572 -14.635 -5.055 1.00 0.00 C ATOM 954 O THR A 76 -14.710 -15.523 -5.898 1.00 0.00 O ATOM 955 CB THR A 76 -15.064 -14.347 -2.618 1.00 0.00 C ATOM 956 OG1 THR A 76 -14.668 -14.676 -1.299 1.00 0.00 O ATOM 957 CG2 THR A 76 -16.499 -14.794 -2.793 1.00 0.00 C ATOM 0 H THR A 76 -12.634 -13.480 -3.554 1.00 0.00 H new ATOM 0 HA THR A 76 -14.111 -16.049 -3.519 1.00 0.00 H new ATOM 0 HB THR A 76 -15.013 -13.272 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.290 -14.270 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 76 -17.123 -14.318 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 76 -16.850 -14.510 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.559 -15.877 -2.684 1.00 0.00 H new ATOM 965 N ASN A 77 -14.810 -13.353 -5.309 1.00 0.00 N ATOM 966 CA ASN A 77 -15.257 -12.900 -6.622 1.00 0.00 C ATOM 967 C ASN A 77 -14.225 -11.967 -7.249 1.00 0.00 C ATOM 968 O ASN A 77 -14.575 -10.969 -7.878 1.00 0.00 O ATOM 969 CB ASN A 77 -16.604 -12.186 -6.507 1.00 0.00 C ATOM 970 CG ASN A 77 -16.526 -10.937 -5.651 1.00 0.00 C ATOM 971 OD1 ASN A 77 -16.097 -10.985 -4.498 1.00 0.00 O ATOM 972 ND2 ASN A 77 -16.943 -9.808 -6.213 1.00 0.00 N ATOM 0 H ASN A 77 -14.701 -12.607 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 77 -15.373 -13.773 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.956 -11.919 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.339 -12.869 -6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.915 -8.935 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.291 -9.814 -7.172 1.00 0.00 H new ATOM 979 N SER A 78 -12.951 -12.299 -7.066 1.00 0.00 N ATOM 980 CA SER A 78 -11.864 -11.491 -7.608 1.00 0.00 C ATOM 981 C SER A 78 -11.073 -12.275 -8.650 1.00 0.00 C ATOM 982 O SER A 78 -11.150 -13.502 -8.707 1.00 0.00 O ATOM 983 CB SER A 78 -10.937 -11.039 -6.474 1.00 0.00 C ATOM 984 OG SER A 78 -9.733 -10.485 -6.977 1.00 0.00 O ATOM 0 H SER A 78 -12.646 -13.122 -6.546 1.00 0.00 H new ATOM 0 HA SER A 78 -12.293 -10.614 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.449 -10.300 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.707 -11.888 -5.830 1.00 0.00 H new ATOM 0 HG SER A 78 -9.917 -10.006 -7.812 1.00 0.00 H new ATOM 990 N SER A 79 -10.310 -11.560 -9.472 1.00 0.00 N ATOM 991 CA SER A 79 -9.501 -12.194 -10.507 1.00 0.00 C ATOM 992 C SER A 79 -8.028 -12.227 -10.103 1.00 0.00 C ATOM 993 O SER A 79 -7.608 -11.509 -9.195 1.00 0.00 O ATOM 994 CB SER A 79 -9.663 -11.456 -11.837 1.00 0.00 C ATOM 995 OG SER A 79 -10.416 -12.226 -12.760 1.00 0.00 O ATOM 0 H SER A 79 -10.235 -10.543 -9.441 1.00 0.00 H new ATOM 0 HA SER A 79 -9.849 -13.220 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.158 -10.500 -11.668 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.681 -11.237 -12.257 1.00 0.00 H new ATOM 0 HG SER A 79 -10.507 -11.732 -13.601 1.00 0.00 H new ATOM 1001 N GLY A 80 -7.249 -13.062 -10.784 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.832 -13.170 -10.484 1.00 0.00 C ATOM 1003 C GLY A 80 -5.564 -13.740 -9.101 1.00 0.00 C ATOM 1004 O GLY A 80 -4.454 -13.626 -8.583 1.00 0.00 O ATOM 0 H GLY A 80 -7.574 -13.666 -11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.354 -13.803 -11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.373 -12.184 -10.561 1.00 0.00 H new ATOM 1008 N CYS A 81 -6.579 -14.356 -8.503 1.00 0.00 N ATOM 1009 CA CYS A 81 -6.442 -14.946 -7.173 1.00 0.00 C ATOM 1010 C CYS A 81 -6.804 -16.429 -7.197 1.00 0.00 C ATOM 1011 O CYS A 81 -7.325 -16.924 -8.196 1.00 0.00 O ATOM 1012 CB CYS A 81 -7.335 -14.212 -6.170 1.00 0.00 C ATOM 1013 SG CYS A 81 -8.956 -13.708 -6.832 1.00 0.00 S ATOM 0 H CYS A 81 -7.505 -14.460 -8.917 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.401 -14.846 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.494 -14.856 -5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.810 -13.325 -5.815 1.00 0.00 H new ATOM 1018 N PRO A 82 -6.531 -17.162 -6.094 1.00 0.00 N ATOM 1019 CA PRO A 82 -6.827 -18.589 -5.985 1.00 0.00 C ATOM 1020 C PRO A 82 -8.042 -19.020 -6.805 1.00 0.00 C ATOM 1021 O PRO A 82 -9.179 -18.949 -6.339 1.00 0.00 O ATOM 1022 CB PRO A 82 -7.092 -18.743 -4.493 1.00 0.00 C ATOM 1023 CG PRO A 82 -6.168 -17.762 -3.844 1.00 0.00 C ATOM 1024 CD PRO A 82 -5.904 -16.663 -4.853 1.00 0.00 C ATOM 0 HA PRO A 82 -6.021 -19.213 -6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.133 -18.528 -4.251 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.890 -19.760 -4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.615 -17.353 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.237 -18.246 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.342 -15.716 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.836 -16.491 -4.986 1.00 0.00 H new