USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 197 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 SER OG : rot -3:sc= 1.03 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 144:sc= 0.0797 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 191 TYR OH : rot 180:sc= -0.573 USER MOD Single : A 193 TYR OH : rot -2:sc= -3.06! USER MOD Single : A 194 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 LYS NZ :NH3+ -138:sc= -0.388 (180deg=-1.54!) USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 ASN :FLIP amide:sc= -0.955! C(o=-2.3!,f=-0.96!) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.3!) USER MOD Single : A 217 ASN :FLIP amide:sc= -11.6! C(o=-13!,f=-12!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 35:sc= -0.431 USER MOD Single : A 223 THR OG1 : rot 87:sc= -0.451 USER MOD Single : A 225 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.9!) USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 16.464 7.553 -11.415 -0.36 0.02 N ATOM 26 CA ASP A 160 17.006 8.662 -10.635 1.00 0.01 C ATOM 27 C ASP A 160 17.768 8.148 -9.418 0.48 0.02 C ATOM 28 O ASP A 160 18.995 8.227 -9.361 -0.48 0.02 O ATOM 29 CB ASP A 160 15.884 9.609 -10.188 -0.45 0.01 C ATOM 30 CG ASP A 160 14.559 8.897 -9.978 0.49 0.01 C ATOM 31 OD1 ASP A 160 14.403 8.226 -8.935 -0.62 0.01 O ATOM 32 OD2 ASP A 160 13.679 9.010 -10.857 -0.62 0.01 O ATOM 0 HA ASP A 160 17.698 9.213 -11.272 1.00 0.01 H new ATOM 0 HB2 ASP A 160 16.178 10.100 -9.260 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 15.756 10.391 -10.936 -0.45 0.01 H new ATOM 37 N VAL A 161 17.031 7.619 -8.447 -0.36 0.01 N ATOM 38 CA VAL A 161 17.631 7.087 -7.230 1.00 0.01 C ATOM 39 C VAL A 161 16.674 6.125 -6.536 0.48 0.01 C ATOM 40 O VAL A 161 15.480 6.408 -6.415 -0.48 0.01 O ATOM 41 CB VAL A 161 18.017 8.215 -6.252 -0.10 0.01 C ATOM 42 CG1 VAL A 161 16.785 8.998 -5.823 -0.30 0.02 C ATOM 43 CG2 VAL A 161 18.749 7.650 -5.043 -0.30 0.02 C ATOM 0 H VAL A 161 16.014 7.547 -8.480 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.536 6.554 -7.522 1.00 0.01 H new ATOM 0 HB VAL A 161 18.691 8.900 -6.767 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 17.079 9.789 -5.133 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 16.310 9.439 -6.700 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 16.082 8.328 -5.328 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 19.013 8.462 -4.365 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 18.103 6.940 -4.526 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 19.656 7.142 -5.371 -0.30 0.02 H new ATOM 53 N ASP A 162 17.205 4.986 -6.089 -0.36 0.01 N ATOM 54 CA ASP A 162 16.400 3.972 -5.409 1.00 0.01 C ATOM 55 C ASP A 162 15.135 3.664 -6.204 0.48 0.01 C ATOM 56 O ASP A 162 14.226 4.489 -6.284 -0.48 0.02 O ATOM 57 CB ASP A 162 16.033 4.441 -4.000 -0.45 0.01 C ATOM 58 CG ASP A 162 17.171 4.256 -3.015 0.49 0.02 C ATOM 59 OD1 ASP A 162 17.775 3.163 -3.003 -0.62 0.02 O ATOM 60 OD2 ASP A 162 17.457 5.205 -2.255 -0.62 0.02 O ATOM 0 H ASP A 162 18.191 4.743 -6.186 -0.36 0.01 H new ATOM 0 HA ASP A 162 16.993 3.060 -5.335 1.00 0.01 H new ATOM 0 HB2 ASP A 162 15.751 5.493 -4.032 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 15.161 3.888 -3.651 -0.45 0.01 H new ATOM 65 N GLU A 163 15.075 2.479 -6.798 -0.36 0.02 N ATOM 66 CA GLU A 163 13.913 2.103 -7.586 1.00 0.02 C ATOM 67 C GLU A 163 13.107 1.014 -6.892 0.48 0.02 C ATOM 68 O GLU A 163 11.900 1.148 -6.697 -0.48 0.02 O ATOM 69 CB GLU A 163 14.341 1.648 -8.980 -0.20 0.01 C ATOM 70 CG GLU A 163 15.235 2.651 -9.694 -0.45 0.01 C ATOM 71 CD GLU A 163 14.602 4.027 -9.808 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.317 4.642 -8.756 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.393 4.490 -10.948 -0.62 0.01 O ATOM 0 H GLU A 163 15.808 1.771 -6.749 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.274 2.980 -7.685 1.00 0.02 H new ATOM 0 HB2 GLU A 163 14.867 0.697 -8.898 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.452 1.469 -9.585 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 16.180 2.734 -9.158 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 15.466 2.279 -10.692 -0.45 0.01 H new ATOM 80 N CYS A 164 13.782 -0.060 -6.512 -0.36 0.02 N ATOM 81 CA CYS A 164 13.127 -1.167 -5.829 1.00 0.02 C ATOM 82 C CYS A 164 13.831 -1.473 -4.507 0.48 0.02 C ATOM 83 O CYS A 164 13.502 -2.443 -3.823 -0.48 0.02 O ATOM 84 CB CYS A 164 13.100 -2.402 -6.728 0.20 0.02 C ATOM 85 SG CYS A 164 12.757 -2.027 -8.483 -0.20 0.02 S ATOM 0 H CYS A 164 14.782 -0.189 -6.664 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.099 -0.881 -5.607 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.060 -2.914 -6.656 0.20 0.02 H new ATOM 0 HB3 CYS A 164 12.342 -3.093 -6.359 0.20 0.02 H new ATOM 90 N SER A 165 14.788 -0.620 -4.147 -0.36 0.02 N ATOM 91 CA SER A 165 15.532 -0.765 -2.903 1.00 0.02 C ATOM 92 C SER A 165 15.269 0.434 -1.990 0.48 0.02 C ATOM 93 O SER A 165 15.815 0.524 -0.891 -0.48 0.02 O ATOM 94 CB SER A 165 17.031 -0.885 -3.189 0.08 0.02 C ATOM 95 OG SER A 165 17.377 -2.209 -3.557 -0.68 0.02 O ATOM 0 H SER A 165 15.066 0.186 -4.707 -0.36 0.02 H new ATOM 0 HA SER A 165 15.197 -1.673 -2.402 1.00 0.02 H new ATOM 0 HB2 SER A 165 17.308 -0.198 -3.989 0.08 0.02 H new ATOM 0 HB3 SER A 165 17.597 -0.590 -2.306 0.08 0.02 H new ATOM 0 HG SER A 165 18.339 -2.258 -3.736 -0.68 0.02 H new ATOM 101 N LEU A 166 14.421 1.354 -2.460 -0.36 0.02 N ATOM 102 CA LEU A 166 14.073 2.551 -1.701 1.00 0.02 C ATOM 103 C LEU A 166 13.554 2.181 -0.315 0.48 0.02 C ATOM 104 O LEU A 166 14.101 2.610 0.701 -0.48 0.02 O ATOM 105 CB LEU A 166 13.013 3.354 -2.462 -0.20 0.02 C ATOM 106 CG LEU A 166 13.025 4.868 -2.205 -0.10 0.02 C ATOM 107 CD1 LEU A 166 13.312 5.630 -3.492 -0.30 0.02 C ATOM 108 CD2 LEU A 166 11.700 5.322 -1.600 -0.30 0.02 C ATOM 0 H LEU A 166 13.962 1.288 -3.369 -0.36 0.02 H new ATOM 0 HA LEU A 166 14.969 3.159 -1.579 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.149 3.183 -3.530 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 12.029 2.966 -2.199 -0.20 0.02 H new ATOM 0 HG LEU A 166 13.821 5.085 -1.493 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.316 6.701 -3.288 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 14.285 5.331 -3.882 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 12.541 5.404 -4.228 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 11.729 6.398 -1.426 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 10.887 5.088 -2.287 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 11.536 4.805 -0.654 -0.30 0.02 H new ATOM 120 N LYS A 167 12.499 1.376 -0.287 -0.36 0.02 N ATOM 121 CA LYS A 167 11.902 0.935 0.967 1.00 0.02 C ATOM 122 C LYS A 167 12.505 -0.397 1.405 0.48 0.02 C ATOM 123 O LYS A 167 13.239 -1.031 0.647 -0.48 0.02 O ATOM 124 CB LYS A 167 10.386 0.799 0.809 -0.20 0.02 C ATOM 125 CG LYS A 167 9.607 1.975 1.375 -0.20 0.02 C ATOM 126 CD LYS A 167 9.217 2.960 0.284 -0.20 0.02 C ATOM 127 CE LYS A 167 8.035 2.454 -0.526 0.30 5.02 C ATOM 128 NZ LYS A 167 7.769 3.310 -1.715 -0.81 0.02 N ATOM 0 H LYS A 167 12.038 1.014 -1.122 -0.36 0.02 H new ATOM 0 HA LYS A 167 12.112 1.681 1.733 1.00 0.02 H new ATOM 0 HB2 LYS A 167 10.148 0.692 -0.249 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 10.058 -0.115 1.304 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 8.710 1.611 1.876 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 10.209 2.484 2.128 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 8.967 3.921 0.733 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 10.067 3.128 -0.377 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.229 1.432 -0.851 0.30 5.02 H new ATOM 0 HE3 LYS A 167 7.148 2.425 0.106 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 6.956 2.931 -2.241 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 7.559 4.280 -1.404 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 8.606 3.318 -2.332 -0.81 0.02 H new ATOM 142 N PRO A 168 12.202 -0.845 2.637 -0.36 0.02 N ATOM 143 CA PRO A 168 12.720 -2.111 3.162 1.00 0.02 C ATOM 144 C PRO A 168 12.632 -3.241 2.141 0.48 0.02 C ATOM 145 O PRO A 168 13.535 -4.071 2.037 -0.48 0.02 O ATOM 146 CB PRO A 168 11.805 -2.388 4.353 -0.20 0.02 C ATOM 147 CG PRO A 168 11.397 -1.037 4.833 -0.20 0.02 C ATOM 148 CD PRO A 168 11.332 -0.157 3.611 0.06 0.02 C ATOM 0 HA PRO A 168 13.777 -2.050 3.421 1.00 0.02 H new ATOM 0 HB2 PRO A 168 10.940 -2.983 4.059 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 12.325 -2.945 5.132 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 10.430 -1.078 5.335 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 12.115 -0.648 5.555 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 10.312 -0.063 3.240 0.06 0.02 H new ATOM 0 HD3 PRO A 168 11.688 0.851 3.824 0.06 0.02 H new ATOM 156 N SER A 169 11.538 -3.262 1.385 -0.36 0.02 N ATOM 157 CA SER A 169 11.330 -4.285 0.366 1.00 0.02 C ATOM 158 C SER A 169 10.293 -3.830 -0.657 0.48 0.02 C ATOM 159 O SER A 169 9.106 -4.127 -0.524 -0.48 0.02 O ATOM 160 CB SER A 169 10.882 -5.596 1.015 0.08 0.02 C ATOM 161 OG SER A 169 11.949 -6.210 1.717 -0.68 0.02 O ATOM 0 H SER A 169 10.782 -2.582 1.459 -0.36 0.02 H new ATOM 0 HA SER A 169 12.276 -4.448 -0.150 1.00 0.02 H new ATOM 0 HB2 SER A 169 10.056 -5.403 1.700 0.08 0.02 H new ATOM 0 HB3 SER A 169 10.508 -6.275 0.249 0.08 0.02 H new ATOM 0 HG SER A 169 12.765 -5.681 1.600 -0.68 0.02 H new ATOM 167 N ILE A 170 10.747 -3.108 -1.679 -0.36 0.02 N ATOM 168 CA ILE A 170 9.850 -2.618 -2.720 1.00 0.02 C ATOM 169 C ILE A 170 9.371 -3.747 -3.615 0.48 0.02 C ATOM 170 O ILE A 170 8.271 -4.271 -3.442 -0.48 0.02 O ATOM 171 CB ILE A 170 10.524 -1.571 -3.623 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.053 -0.395 -2.800 -0.20 0.02 C ATOM 173 CG2 ILE A 170 9.554 -1.088 -4.687 -0.30 0.02 C ATOM 174 CD1 ILE A 170 10.192 0.845 -2.915 -0.30 0.02 C ATOM 0 H ILE A 170 11.726 -2.851 -1.807 -0.36 0.02 H new ATOM 0 HA ILE A 170 9.011 -2.164 -2.193 1.00 0.02 H new ATOM 0 HB ILE A 170 11.374 -2.043 -4.116 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.115 -0.691 -1.753 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 12.066 -0.158 -3.125 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 10.045 -0.348 -5.318 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 9.235 -1.932 -5.299 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 8.684 -0.637 -4.209 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.620 1.643 -2.308 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.150 1.164 -3.957 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.185 0.622 -2.563 -0.30 0.02 H new ATOM 186 N CYS A 171 10.199 -4.099 -4.594 -0.36 0.02 N ATOM 187 CA CYS A 171 9.848 -5.137 -5.528 1.00 0.02 C ATOM 188 C CYS A 171 11.072 -5.949 -5.949 0.48 0.02 C ATOM 189 O CYS A 171 11.225 -6.299 -7.119 -0.48 0.02 O ATOM 190 CB CYS A 171 9.144 -4.515 -6.738 0.20 0.02 C ATOM 191 SG CYS A 171 7.378 -4.947 -6.858 -0.20 0.02 S ATOM 0 H CYS A 171 11.113 -3.675 -4.752 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.164 -5.833 -5.041 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.241 -3.431 -6.686 0.20 0.02 H new ATOM 0 HB3 CYS A 171 9.651 -4.837 -7.648 0.20 0.02 H new ATOM 196 N GLY A 172 11.933 -6.251 -4.973 -0.36 0.02 N ATOM 197 CA GLY A 172 13.139 -7.030 -5.230 -0.10 0.02 C ATOM 198 C GLY A 172 13.790 -6.699 -6.558 0.48 0.02 C ATOM 199 O GLY A 172 13.992 -7.582 -7.392 -0.48 0.02 O ATOM 0 H GLY A 172 11.814 -5.967 -4.001 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.855 -6.854 -4.427 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.890 -8.091 -5.209 -0.10 0.02 H new ATOM 203 N THR A 173 14.122 -5.422 -6.744 -0.36 0.02 N ATOM 204 CA THR A 173 14.755 -4.940 -7.962 1.00 0.02 C ATOM 205 C THR A 173 14.326 -5.745 -9.188 0.48 0.02 C ATOM 206 O THR A 173 15.132 -6.028 -10.075 -0.48 0.02 O ATOM 207 CB THR A 173 16.269 -4.956 -7.797 0.18 0.02 C ATOM 208 OG1 THR A 173 16.624 -5.000 -6.426 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.950 -3.746 -8.407 -0.30 0.02 C ATOM 0 H THR A 173 13.957 -4.694 -6.049 -0.36 0.02 H new ATOM 0 HA THR A 173 14.427 -3.915 -8.131 1.00 0.02 H new ATOM 0 HB THR A 173 16.607 -5.849 -8.322 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.600 -5.011 -6.341 -0.68 0.02 H new ATOM 0 HG21 THR A 173 18.027 -3.819 -8.255 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.736 -3.708 -9.475 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.577 -2.840 -7.930 -0.30 0.02 H new ATOM 217 N ALA A 174 13.040 -6.087 -9.235 -0.36 0.02 N ATOM 218 CA ALA A 174 12.481 -6.832 -10.352 1.00 0.02 C ATOM 219 C ALA A 174 12.224 -5.871 -11.508 0.48 0.02 C ATOM 220 O ALA A 174 12.974 -4.912 -11.693 -0.48 0.02 O ATOM 221 CB ALA A 174 11.191 -7.535 -9.917 -0.30 0.02 C ATOM 0 H ALA A 174 12.365 -5.856 -8.506 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.183 -7.598 -10.681 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.778 -8.091 -10.759 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.409 -8.223 -9.100 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.467 -6.792 -9.582 -0.30 0.02 H new ATOM 227 N VAL A 175 11.157 -6.094 -12.262 -0.36 0.02 N ATOM 228 CA VAL A 175 10.817 -5.202 -13.358 1.00 0.02 C ATOM 229 C VAL A 175 9.985 -4.051 -12.814 0.48 0.02 C ATOM 230 O VAL A 175 8.866 -3.805 -13.265 -0.48 0.02 O ATOM 231 CB VAL A 175 10.029 -5.931 -14.465 -0.10 0.02 C ATOM 232 CG1 VAL A 175 9.795 -5.008 -15.651 -0.30 0.02 C ATOM 233 CG2 VAL A 175 10.760 -7.193 -14.898 -0.30 0.02 C ATOM 0 H VAL A 175 10.517 -6.878 -12.136 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.742 -4.832 -13.800 1.00 0.02 H new ATOM 0 HB VAL A 175 9.058 -6.221 -14.063 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.238 -5.540 -16.422 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.225 -4.137 -15.327 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 10.754 -4.684 -16.055 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.189 -7.694 -15.680 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 11.746 -6.929 -15.281 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 10.870 -7.861 -14.044 -0.30 0.02 H new ATOM 243 N CYS A 176 10.533 -3.368 -11.810 -0.36 0.02 N ATOM 244 CA CYS A 176 9.838 -2.268 -11.164 1.00 0.02 C ATOM 245 C CYS A 176 10.334 -0.908 -11.631 0.48 0.02 C ATOM 246 O CYS A 176 11.322 -0.385 -11.114 -0.48 0.02 O ATOM 247 CB CYS A 176 9.965 -2.357 -9.633 0.20 0.02 C ATOM 248 SG CYS A 176 11.344 -3.384 -9.015 -0.20 0.02 S ATOM 0 H CYS A 176 11.459 -3.562 -11.429 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.791 -2.361 -11.451 1.00 0.02 H new ATOM 0 HB2 CYS A 176 10.081 -1.348 -9.236 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.032 -2.753 -9.231 0.20 0.02 H new ATOM 253 N LYS A 177 9.611 -0.315 -12.573 -0.36 0.02 N ATOM 254 CA LYS A 177 9.948 1.009 -13.058 1.00 0.02 C ATOM 255 C LYS A 177 9.599 2.014 -11.969 0.48 0.02 C ATOM 256 O LYS A 177 8.430 2.355 -11.776 -0.48 0.02 O ATOM 257 CB LYS A 177 9.186 1.326 -14.348 -0.20 0.02 C ATOM 258 CG LYS A 177 10.074 1.382 -15.581 -0.20 0.02 C ATOM 259 CD LYS A 177 10.344 2.816 -16.010 -0.20 0.02 C ATOM 260 CE LYS A 177 11.233 3.539 -15.011 0.30 5.02 C ATOM 261 NZ LYS A 177 10.754 4.923 -14.740 -0.81 0.02 N ATOM 0 H LYS A 177 8.791 -0.732 -13.013 -0.36 0.02 H new ATOM 0 HA LYS A 177 11.012 1.060 -13.288 1.00 0.02 H new ATOM 0 HB2 LYS A 177 8.415 0.571 -14.500 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.677 2.283 -14.234 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 11.019 0.879 -15.373 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 9.598 0.840 -16.398 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 10.819 2.820 -16.991 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 9.399 3.350 -16.111 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 11.263 2.976 -14.078 0.30 5.02 H new ATOM 0 HE3 LYS A 177 12.253 3.576 -15.394 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 10.919 5.158 -13.741 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 11.271 5.594 -15.344 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 9.737 4.985 -14.946 -0.81 0.02 H new ATOM 275 N ASN A 178 10.608 2.446 -11.227 -0.36 0.02 N ATOM 276 CA ASN A 178 10.397 3.371 -10.125 1.00 0.01 C ATOM 277 C ASN A 178 10.611 4.818 -10.543 0.48 0.02 C ATOM 278 O ASN A 178 11.251 5.106 -11.554 -0.48 0.02 O ATOM 279 CB ASN A 178 11.327 3.022 -8.968 -0.20 0.01 C ATOM 280 CG ASN A 178 11.070 3.867 -7.735 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.414 5.048 -7.694 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.469 3.262 -6.718 -0.52 0.01 N ATOM 0 H ASN A 178 11.580 2.171 -11.368 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.359 3.271 -9.808 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.205 1.969 -8.714 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.361 3.155 -9.286 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.275 3.778 -5.860 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.201 2.281 -6.795 -0.52 0.01 H new ATOM 289 N ILE A 179 10.064 5.723 -9.740 -0.36 0.01 N ATOM 290 CA ILE A 179 10.176 7.149 -9.988 1.00 0.01 C ATOM 291 C ILE A 179 10.632 7.868 -8.716 0.48 0.01 C ATOM 292 O ILE A 179 10.738 7.245 -7.656 -0.48 0.01 O ATOM 293 CB ILE A 179 8.829 7.716 -10.481 -0.10 0.01 C ATOM 294 CG1 ILE A 179 7.707 7.368 -9.498 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.516 7.168 -11.866 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.318 7.618 -10.049 -0.30 5.62 C ATOM 0 H ILE A 179 9.533 5.487 -8.902 -0.36 0.01 H new ATOM 0 HA ILE A 179 10.921 7.314 -10.767 1.00 0.01 H new ATOM 0 HB ILE A 179 8.903 8.802 -10.539 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 7.794 6.318 -9.217 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 7.838 7.953 -8.588 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.564 7.571 -12.210 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 9.305 7.459 -12.559 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.455 6.081 -11.822 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 5.575 7.349 -9.298 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.212 8.673 -10.303 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.167 7.012 -10.943 -0.30 5.62 H new ATOM 308 N PRO A 180 10.932 9.181 -8.795 -0.36 0.01 N ATOM 309 CA PRO A 180 11.398 9.956 -7.640 1.00 0.01 C ATOM 310 C PRO A 180 10.667 9.623 -6.341 0.48 0.01 C ATOM 311 O PRO A 180 11.226 9.768 -5.254 -0.48 0.02 O ATOM 312 CB PRO A 180 11.118 11.392 -8.070 -0.20 0.01 C ATOM 313 CG PRO A 180 11.326 11.374 -9.544 -0.20 0.02 C ATOM 314 CD PRO A 180 10.869 10.015 -10.015 0.06 0.01 C ATOM 0 HA PRO A 180 12.442 9.748 -7.407 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.103 11.694 -7.814 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 11.793 12.094 -7.580 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 10.755 12.166 -10.028 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.374 11.540 -9.792 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 9.859 10.052 -10.423 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.516 9.625 -10.800 0.06 0.01 H new ATOM 322 N GLY A 181 9.423 9.176 -6.453 -0.36 0.02 N ATOM 323 CA GLY A 181 8.657 8.834 -5.265 -0.10 0.02 C ATOM 324 C GLY A 181 7.481 7.917 -5.552 0.48 0.02 C ATOM 325 O GLY A 181 6.358 8.189 -5.127 -0.48 0.02 O ATOM 0 H GLY A 181 8.931 9.044 -7.337 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 9.316 8.353 -4.542 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 8.290 9.750 -4.802 -0.10 0.02 H new ATOM 329 N ASP A 182 7.739 6.824 -6.262 -0.36 0.02 N ATOM 330 CA ASP A 182 6.699 5.859 -6.592 1.00 0.02 C ATOM 331 C ASP A 182 7.308 4.688 -7.349 0.48 0.02 C ATOM 332 O ASP A 182 8.508 4.678 -7.614 -0.48 0.02 O ATOM 333 CB ASP A 182 5.590 6.516 -7.416 -0.45 0.02 C ATOM 334 CG ASP A 182 4.248 6.480 -6.711 0.49 0.02 C ATOM 335 OD1 ASP A 182 4.030 5.560 -5.895 -0.62 0.02 O ATOM 336 OD2 ASP A 182 3.414 7.372 -6.977 -0.62 0.02 O ATOM 0 H ASP A 182 8.663 6.585 -6.621 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.254 5.491 -5.667 1.00 0.02 H new ATOM 0 HB2 ASP A 182 5.860 7.551 -7.624 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.506 6.009 -8.377 -0.45 0.02 H new ATOM 341 N PHE A 183 6.494 3.697 -7.685 -0.36 0.02 N ATOM 342 CA PHE A 183 7.007 2.530 -8.395 1.00 0.02 C ATOM 343 C PHE A 183 5.908 1.683 -9.032 0.48 0.02 C ATOM 344 O PHE A 183 4.741 1.744 -8.644 -0.48 0.02 O ATOM 345 CB PHE A 183 7.817 1.655 -7.427 -0.16 0.02 C ATOM 346 CG PHE A 183 6.985 0.638 -6.681 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.729 0.972 -6.192 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.453 -0.653 -6.479 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.960 0.041 -5.518 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.686 -1.586 -5.803 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.440 -1.238 -5.324 -0.15 0.02 C ATOM 0 H PHE A 183 5.494 3.674 -7.483 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.635 2.905 -9.203 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.594 1.134 -7.987 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 8.320 2.298 -6.705 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 5.348 1.972 -6.340 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.427 -0.933 -6.854 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.985 0.315 -5.144 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.063 -2.587 -5.651 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.841 -1.966 -4.798 -0.15 0.02 H new ATOM 361 N GLU A 184 6.325 0.855 -9.986 -0.36 0.02 N ATOM 362 CA GLU A 184 5.432 -0.068 -10.672 1.00 0.02 C ATOM 363 C GLU A 184 6.229 -1.267 -11.161 0.48 0.02 C ATOM 364 O GLU A 184 7.169 -1.121 -11.935 -0.48 0.02 O ATOM 365 CB GLU A 184 4.726 0.596 -11.844 -0.20 0.02 C ATOM 366 CG GLU A 184 3.666 1.599 -11.425 -0.45 0.02 C ATOM 367 CD GLU A 184 3.105 2.380 -12.597 0.49 0.02 C ATOM 368 OE1 GLU A 184 2.720 1.747 -13.603 -0.62 0.02 O ATOM 369 OE2 GLU A 184 3.052 3.625 -12.510 -0.62 0.02 O ATOM 0 H GLU A 184 7.293 0.807 -10.304 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.666 -0.389 -9.966 1.00 0.02 H new ATOM 0 HB2 GLU A 184 5.466 1.100 -12.465 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.263 -0.173 -12.462 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 2.854 1.075 -10.921 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.094 2.294 -10.702 -0.45 0.02 H new ATOM 376 N CYS A 185 5.858 -2.446 -10.692 -0.36 0.02 N ATOM 377 CA CYS A 185 6.559 -3.674 -11.061 1.00 0.02 C ATOM 378 C CYS A 185 5.651 -4.637 -11.809 0.48 0.02 C ATOM 379 O CYS A 185 4.452 -4.401 -11.955 -0.48 0.02 O ATOM 380 CB CYS A 185 7.131 -4.375 -9.820 0.20 0.02 C ATOM 381 SG CYS A 185 6.650 -3.636 -8.224 -0.20 0.02 S ATOM 0 H CYS A 185 5.075 -2.584 -10.054 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.377 -3.384 -11.721 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.812 -5.417 -9.831 0.20 0.02 H new ATOM 0 HB3 CYS A 185 8.219 -4.374 -9.890 0.20 0.02 H new ATOM 386 N GLU A 186 6.240 -5.739 -12.260 -0.36 0.02 N ATOM 387 CA GLU A 186 5.499 -6.769 -12.974 1.00 0.02 C ATOM 388 C GLU A 186 4.555 -7.499 -12.022 0.48 0.02 C ATOM 389 O GLU A 186 3.702 -8.276 -12.451 -0.48 0.02 O ATOM 390 CB GLU A 186 6.463 -7.764 -13.623 -0.20 0.02 C ATOM 391 CG GLU A 186 5.835 -8.575 -14.744 -0.45 0.02 C ATOM 392 CD GLU A 186 6.065 -7.957 -16.110 0.49 0.02 C ATOM 393 OE1 GLU A 186 5.591 -6.824 -16.336 -0.62 0.02 O ATOM 394 OE2 GLU A 186 6.719 -8.606 -16.953 -0.62 0.02 O ATOM 0 H GLU A 186 7.233 -5.941 -12.142 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.909 -6.292 -13.756 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.323 -7.221 -14.016 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.838 -8.445 -12.859 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 6.246 -9.584 -14.732 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 4.763 -8.665 -14.566 -0.45 0.02 H new ATOM 401 N CYS A 187 4.711 -7.236 -10.724 -0.36 0.02 N ATOM 402 CA CYS A 187 3.874 -7.855 -9.712 1.00 0.02 C ATOM 403 C CYS A 187 2.441 -7.336 -9.837 0.48 0.02 C ATOM 404 O CYS A 187 2.221 -6.127 -9.772 -0.48 0.02 O ATOM 405 CB CYS A 187 4.436 -7.550 -8.313 0.20 0.02 C ATOM 406 SG CYS A 187 5.311 -8.951 -7.549 -0.20 0.02 S ATOM 0 H CYS A 187 5.413 -6.595 -10.354 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.869 -8.935 -9.858 1.00 0.02 H new ATOM 0 HB2 CYS A 187 5.118 -6.703 -8.383 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.617 -7.247 -7.661 0.20 0.02 H new ATOM 411 N PRO A 188 1.441 -8.236 -10.025 -0.36 0.02 N ATOM 412 CA PRO A 188 0.034 -7.847 -10.158 1.00 0.02 C ATOM 413 C PRO A 188 -0.277 -6.603 -9.342 0.48 0.02 C ATOM 414 O PRO A 188 0.338 -6.386 -8.303 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.689 -9.070 -9.608 -0.20 0.02 C ATOM 416 CG PRO A 188 0.180 -10.225 -9.995 -0.20 0.02 C ATOM 417 CD PRO A 188 1.596 -9.698 -10.121 0.06 0.02 C ATOM 0 HA PRO A 188 -0.255 -7.590 -11.177 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -0.808 -9.008 -8.526 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.688 -9.165 -10.033 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.128 -11.014 -9.244 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 -0.154 -10.659 -10.937 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.238 -10.084 -9.329 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.048 -9.990 -11.069 0.06 0.02 H new ATOM 425 N GLU A 189 -1.211 -5.773 -9.802 -0.36 0.02 N ATOM 426 CA GLU A 189 -1.537 -4.546 -9.078 1.00 0.02 C ATOM 427 C GLU A 189 -0.263 -3.922 -8.544 0.48 0.02 C ATOM 428 O GLU A 189 0.813 -4.144 -9.102 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.528 -4.826 -7.941 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.520 -5.938 -8.247 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.958 -5.520 -8.009 0.49 0.02 C ATOM 432 OE1 GLU A 189 -5.217 -4.828 -7.002 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -5.826 -5.884 -8.831 -0.62 0.02 O ATOM 0 H GLU A 189 -1.747 -5.923 -10.657 -0.36 0.02 H new ATOM 0 HA GLU A 189 -2.015 -3.846 -9.763 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -1.970 -5.088 -7.042 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -3.079 -3.912 -7.719 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -3.403 -6.248 -9.285 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.290 -6.805 -7.627 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.347 -3.191 -7.448 -0.36 0.02 N ATOM 441 CA GLY A 190 0.850 -2.641 -6.884 -0.10 0.02 C ATOM 442 C GLY A 190 1.462 -3.656 -5.956 0.48 0.02 C ATOM 443 O GLY A 190 2.001 -3.305 -4.918 -0.48 0.02 O ATOM 0 H GLY A 190 -1.210 -2.974 -6.949 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.554 -2.380 -7.674 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.624 -1.723 -6.342 -0.10 0.02 H new ATOM 447 N TYR A 191 1.381 -4.934 -6.346 -0.36 0.02 N ATOM 448 CA TYR A 191 1.934 -6.015 -5.539 1.00 0.02 C ATOM 449 C TYR A 191 3.398 -5.779 -5.240 0.48 0.02 C ATOM 450 O TYR A 191 4.176 -5.345 -6.090 -0.48 0.02 O ATOM 451 CB TYR A 191 1.778 -7.369 -6.241 -0.20 0.02 C ATOM 452 CG TYR A 191 0.508 -8.115 -5.900 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.738 -7.524 -6.059 -0.14 0.02 C ATOM 454 CD2 TYR A 191 0.558 -9.420 -5.424 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -1.898 -8.212 -5.754 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -0.596 -10.114 -5.118 -0.14 0.02 C ATOM 457 CZ TYR A 191 -1.821 -9.505 -5.284 0.20 0.02 C ATOM 458 OH TYR A 191 -2.974 -10.192 -4.980 -0.60 0.02 O ATOM 0 H TYR A 191 0.938 -5.239 -7.213 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.375 -6.031 -4.604 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.812 -7.210 -7.319 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.632 -7.996 -5.985 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.802 -6.511 -6.427 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 1.516 -9.900 -5.291 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -2.860 -7.738 -5.884 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -0.539 -11.128 -4.751 -0.14 0.02 H new ATOM 0 HH TYR A 191 -2.745 -11.091 -4.663 -0.60 0.02 H new ATOM 468 N ARG A 192 3.744 -6.091 -4.017 -0.36 0.02 N ATOM 469 CA ARG A 192 5.109 -5.954 -3.532 1.00 0.02 C ATOM 470 C ARG A 192 5.876 -7.262 -3.726 0.48 0.02 C ATOM 471 O ARG A 192 5.372 -8.340 -3.415 -0.48 0.02 O ATOM 472 CB ARG A 192 5.114 -5.555 -2.054 -0.20 0.02 C ATOM 473 CG ARG A 192 5.463 -4.094 -1.822 -0.20 0.02 C ATOM 474 CD ARG A 192 5.678 -3.797 -0.347 -0.10 0.02 C ATOM 475 NE ARG A 192 6.258 -2.472 -0.135 -0.60 0.02 N ATOM 476 CZ ARG A 192 6.878 -2.103 0.983 0.60 0.02 C ATOM 477 NH1 ARG A 192 6.999 -2.953 1.995 -0.60 0.02 N ATOM 478 NH2 ARG A 192 7.379 -0.880 1.090 -0.60 0.02 N ATOM 0 H ARG A 192 3.090 -6.449 -3.321 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.602 -5.170 -4.107 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.132 -5.758 -1.628 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 5.829 -6.181 -1.519 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.365 -3.842 -2.380 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.663 -3.463 -2.208 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.726 -3.865 0.179 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 6.334 -4.553 0.083 -0.10 0.02 H new ATOM 0 HE ARG A 192 6.183 -1.789 -0.889 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 6.616 -3.895 1.918 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 7.475 -2.664 2.849 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 7.289 -0.222 0.315 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 7.854 -0.597 1.947 -0.60 0.02 H new ATOM 492 N TYR A 193 7.097 -7.162 -4.235 -0.36 0.02 N ATOM 493 CA TYR A 193 7.937 -8.326 -4.467 1.00 0.02 C ATOM 494 C TYR A 193 9.100 -8.332 -3.482 0.48 0.02 C ATOM 495 O TYR A 193 9.434 -7.300 -2.900 -0.48 0.02 O ATOM 496 CB TYR A 193 8.453 -8.288 -5.902 -0.20 0.02 C ATOM 497 CG TYR A 193 9.299 -9.469 -6.281 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.724 -10.630 -6.770 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.675 -9.413 -6.161 -0.14 0.02 C ATOM 500 CE1 TYR A 193 9.501 -11.712 -7.129 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.466 -10.487 -6.521 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.874 -11.635 -7.005 0.20 0.02 C ATOM 503 OH TYR A 193 11.657 -12.706 -7.371 -0.60 0.02 O ATOM 0 H TYR A 193 7.530 -6.276 -4.497 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.357 -9.236 -4.318 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.602 -8.231 -6.581 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.035 -7.377 -6.043 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.650 -10.689 -6.872 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.139 -8.515 -5.780 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 9.039 -12.613 -7.504 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.540 -10.428 -6.424 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.084 -13.448 -7.657 -0.60 0.02 H new ATOM 513 N ASN A 194 9.711 -9.493 -3.290 -0.36 0.02 N ATOM 514 CA ASN A 194 10.829 -9.613 -2.364 1.00 0.02 C ATOM 515 C ASN A 194 11.982 -10.386 -2.992 0.48 0.02 C ATOM 516 O ASN A 194 11.780 -11.448 -3.579 -0.48 0.02 O ATOM 517 CB ASN A 194 10.377 -10.307 -1.079 -0.20 0.02 C ATOM 518 CG ASN A 194 9.959 -9.320 -0.006 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.129 -8.442 -0.243 -0.48 0.02 O ATOM 520 ND2 ASN A 194 10.535 -9.458 1.182 -0.52 0.02 N ATOM 0 H ASN A 194 9.453 -10.361 -3.760 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.179 -8.608 -2.127 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.543 -10.972 -1.302 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 11.188 -10.929 -0.701 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 10.295 -8.822 1.942 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 11.218 -10.200 1.335 -0.52 0.02 H new ATOM 527 N LEU A 195 13.189 -9.843 -2.854 -0.36 0.02 N ATOM 528 CA LEU A 195 14.386 -10.476 -3.398 1.00 0.02 C ATOM 529 C LEU A 195 14.872 -11.594 -2.478 0.48 0.02 C ATOM 530 O LEU A 195 15.577 -12.506 -2.912 -0.48 0.02 O ATOM 531 CB LEU A 195 15.492 -9.437 -3.590 -0.20 0.02 C ATOM 532 CG LEU A 195 16.762 -9.959 -4.268 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.250 -8.976 -5.321 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.849 -10.218 -3.235 -0.30 0.02 C ATOM 0 H LEU A 195 13.364 -8.963 -2.368 -0.36 0.02 H new ATOM 0 HA LEU A 195 14.134 -10.910 -4.366 1.00 0.02 H new ATOM 0 HB2 LEU A 195 15.096 -8.612 -4.182 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.760 -9.030 -2.615 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.525 -10.901 -4.763 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 18.153 -9.365 -5.791 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.477 -8.840 -6.077 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.470 -8.018 -4.850 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.744 -10.589 -3.734 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 18.082 -9.291 -2.712 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 17.500 -10.961 -2.518 -0.30 0.02 H new ATOM 546 N LYS A 196 14.480 -11.524 -1.210 -0.36 0.02 N ATOM 547 CA LYS A 196 14.859 -12.531 -0.230 1.00 0.02 C ATOM 548 C LYS A 196 14.226 -13.862 -0.589 0.48 0.02 C ATOM 549 O LYS A 196 14.870 -14.911 -0.559 -0.48 0.02 O ATOM 550 CB LYS A 196 14.397 -12.101 1.159 -0.20 0.02 C ATOM 551 CG LYS A 196 15.528 -11.656 2.059 -0.20 0.02 C ATOM 552 CD LYS A 196 16.210 -10.404 1.528 -0.20 0.02 C ATOM 553 CE LYS A 196 16.202 -9.284 2.556 0.30 5.02 C ATOM 554 NZ LYS A 196 17.477 -8.514 2.549 -0.81 0.02 N ATOM 0 H LYS A 196 13.897 -10.775 -0.837 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.944 -12.638 -0.230 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.680 -11.286 1.059 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.872 -12.931 1.632 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 15.142 -11.464 3.060 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.260 -12.459 2.148 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 17.238 -10.638 1.252 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 15.705 -10.070 0.622 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 15.370 -8.610 2.352 0.30 5.02 H new ATOM 0 HE3 LYS A 196 16.037 -9.703 3.548 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 17.431 -7.760 3.264 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 18.269 -9.152 2.769 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 17.623 -8.092 1.610 -0.81 0.02 H new ATOM 568 N SER A 197 12.952 -13.794 -0.937 -0.36 0.02 N ATOM 569 CA SER A 197 12.192 -14.972 -1.320 1.00 0.02 C ATOM 570 C SER A 197 12.051 -15.042 -2.836 0.48 0.02 C ATOM 571 O SER A 197 11.744 -16.095 -3.395 -0.48 0.02 O ATOM 572 CB SER A 197 10.810 -14.952 -0.664 0.08 0.02 C ATOM 573 OG SER A 197 10.431 -16.247 -0.232 -0.68 0.02 O ATOM 0 H SER A 197 12.418 -12.926 -0.962 -0.36 0.02 H new ATOM 0 HA SER A 197 12.729 -15.856 -0.976 1.00 0.02 H new ATOM 0 HB2 SER A 197 10.817 -14.270 0.186 0.08 0.02 H new ATOM 0 HB3 SER A 197 10.074 -14.572 -1.372 0.08 0.02 H new ATOM 0 HG SER A 197 9.545 -16.206 0.185 -0.68 0.02 H new ATOM 579 N LYS A 198 12.273 -13.905 -3.494 -0.36 0.02 N ATOM 580 CA LYS A 198 12.167 -13.820 -4.943 1.00 0.02 C ATOM 581 C LYS A 198 10.805 -14.280 -5.375 0.48 0.02 C ATOM 582 O LYS A 198 10.632 -15.028 -6.337 -0.48 0.02 O ATOM 583 CB LYS A 198 13.262 -14.629 -5.600 -0.20 0.02 C ATOM 584 CG LYS A 198 14.592 -14.274 -5.008 -0.20 0.02 C ATOM 585 CD LYS A 198 14.827 -15.038 -3.723 -0.20 0.02 C ATOM 586 CE LYS A 198 16.305 -15.292 -3.479 0.30 5.02 C ATOM 587 NZ LYS A 198 16.973 -15.877 -4.675 -0.81 0.02 N ATOM 0 H LYS A 198 12.528 -13.028 -3.040 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.294 -12.784 -5.257 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.068 -15.693 -5.466 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 13.271 -14.439 -6.673 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 15.385 -14.500 -5.721 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 14.634 -13.202 -4.813 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 14.412 -14.477 -2.886 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 14.297 -15.989 -3.764 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 16.795 -14.356 -3.211 0.30 5.02 H new ATOM 0 HE3 LYS A 198 16.422 -15.967 -2.631 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 17.622 -16.633 -4.375 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 16.255 -16.271 -5.316 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 17.510 -15.136 -5.170 -0.81 0.02 H new ATOM 601 N SER A 199 9.851 -13.809 -4.618 -0.36 0.02 N ATOM 602 CA SER A 199 8.448 -14.132 -4.844 1.00 0.02 C ATOM 603 C SER A 199 7.598 -12.871 -4.912 0.48 0.02 C ATOM 604 O SER A 199 7.999 -11.812 -4.428 -0.48 0.02 O ATOM 605 CB SER A 199 7.930 -15.048 -3.734 0.08 0.02 C ATOM 606 OG SER A 199 8.931 -15.963 -3.320 -0.68 0.02 O ATOM 0 H SER A 199 10.013 -13.189 -3.824 -0.36 0.02 H new ATOM 0 HA SER A 199 8.373 -14.648 -5.801 1.00 0.02 H new ATOM 0 HB2 SER A 199 7.607 -14.448 -2.883 0.08 0.02 H new ATOM 0 HB3 SER A 199 7.056 -15.595 -4.088 0.08 0.02 H new ATOM 0 HG SER A 199 8.576 -16.536 -2.609 -0.68 0.02 H new ATOM 612 N CYS A 200 6.416 -12.995 -5.504 -0.36 0.02 N ATOM 613 CA CYS A 200 5.501 -11.870 -5.625 1.00 0.02 C ATOM 614 C CYS A 200 4.449 -11.930 -4.524 0.48 0.02 C ATOM 615 O CYS A 200 3.884 -12.990 -4.259 -0.48 0.02 O ATOM 616 CB CYS A 200 4.822 -11.882 -6.993 0.20 0.02 C ATOM 617 SG CYS A 200 3.876 -10.371 -7.356 -0.20 0.02 S ATOM 0 H CYS A 200 6.070 -13.865 -5.908 -0.36 0.02 H new ATOM 0 HA CYS A 200 6.071 -10.946 -5.524 1.00 0.02 H new ATOM 0 HB2 CYS A 200 5.581 -12.019 -7.764 0.20 0.02 H new ATOM 0 HB3 CYS A 200 4.153 -12.741 -7.049 0.20 0.02 H new ATOM 622 N GLU A 201 4.190 -10.798 -3.876 -0.36 0.02 N ATOM 623 CA GLU A 201 3.205 -10.767 -2.802 1.00 0.02 C ATOM 624 C GLU A 201 2.464 -9.435 -2.724 0.48 0.02 C ATOM 625 O GLU A 201 3.075 -8.368 -2.743 -0.48 0.02 O ATOM 626 CB GLU A 201 3.883 -11.056 -1.462 -0.20 0.02 C ATOM 627 CG GLU A 201 4.088 -12.538 -1.193 -0.45 0.02 C ATOM 628 CD GLU A 201 3.391 -13.005 0.070 0.49 0.02 C ATOM 629 OE1 GLU A 201 2.193 -12.694 0.237 -0.62 0.02 O ATOM 630 OE2 GLU A 201 4.044 -13.681 0.892 -0.62 0.02 O ATOM 0 H GLU A 201 4.641 -9.904 -4.072 -0.36 0.02 H new ATOM 0 HA GLU A 201 2.467 -11.538 -3.024 1.00 0.02 H new ATOM 0 HB2 GLU A 201 4.850 -10.553 -1.437 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 3.281 -10.629 -0.660 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 3.716 -13.112 -2.042 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 5.155 -12.744 -1.112 -0.45 0.02 H new ATOM 637 N ASP A 202 1.139 -9.524 -2.609 -0.36 0.02 N ATOM 638 CA ASP A 202 0.277 -8.357 -2.490 1.00 0.02 C ATOM 639 C ASP A 202 0.975 -7.276 -1.680 0.48 0.02 C ATOM 640 O ASP A 202 1.804 -7.564 -0.816 -0.48 0.02 O ATOM 641 CB ASP A 202 -1.065 -8.738 -1.851 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.046 -8.676 -0.333 0.49 0.02 C ATOM 643 OD1 ASP A 202 -0.454 -9.581 0.291 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.624 -7.720 0.227 -0.62 0.02 O ATOM 0 H ASP A 202 0.636 -10.411 -2.596 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.074 -7.967 -3.487 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -1.841 -8.070 -2.225 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -1.335 -9.747 -2.163 -0.45 0.02 H new ATOM 649 N ILE A 203 0.669 -6.042 -1.996 -0.36 0.02 N ATOM 650 CA ILE A 203 1.293 -4.914 -1.344 1.00 0.02 C ATOM 651 C ILE A 203 0.604 -4.523 -0.035 0.48 0.02 C ATOM 652 O ILE A 203 -0.522 -4.946 0.252 -0.48 0.02 O ATOM 653 CB ILE A 203 1.334 -3.737 -2.319 -0.10 0.02 C ATOM 654 CG1 ILE A 203 2.205 -2.602 -1.807 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.060 -3.247 -2.628 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.801 -1.807 -2.936 -0.30 0.02 C ATOM 0 H ILE A 203 -0.016 -5.790 -2.709 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.307 -5.204 -1.067 1.00 0.02 H new ATOM 0 HB ILE A 203 1.786 -4.099 -3.242 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.611 -1.944 -1.173 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 3.004 -3.008 -1.186 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.005 -2.409 -3.323 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.638 -4.054 -3.077 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.544 -2.923 -1.707 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 3.417 -1.005 -2.530 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 3.417 -2.460 -3.555 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 2.002 -1.380 -3.542 -0.30 0.02 H new ATOM 668 N ASP A 204 1.314 -3.703 0.737 -0.36 0.02 N ATOM 669 CA ASP A 204 0.834 -3.212 2.021 1.00 0.02 C ATOM 670 C ASP A 204 0.367 -1.761 1.903 0.48 0.02 C ATOM 671 O ASP A 204 0.845 -0.874 2.610 -0.48 0.02 O ATOM 672 CB ASP A 204 1.939 -3.346 3.071 -0.45 0.02 C ATOM 673 CG ASP A 204 3.079 -2.368 2.855 0.49 0.02 C ATOM 674 OD1 ASP A 204 3.162 -1.787 1.752 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.887 -2.183 3.789 -0.62 0.02 O ATOM 0 H ASP A 204 2.242 -3.361 0.486 -0.36 0.02 H new ATOM 0 HA ASP A 204 -0.021 -3.812 2.333 1.00 0.02 H new ATOM 0 HB2 ASP A 204 1.513 -3.187 4.062 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.331 -4.363 3.052 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.566 -1.540 0.987 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.119 -0.214 0.725 1.00 0.02 C ATOM 682 C GLU A 205 -1.573 0.510 1.997 0.48 0.02 C ATOM 683 O GLU A 205 -1.627 1.735 2.021 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.306 -0.324 -0.233 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.032 -1.203 -1.440 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.900 -2.450 -1.476 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.559 -3.435 -0.785 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.919 -2.444 -2.194 -0.62 0.02 O ATOM 0 H GLU A 205 -0.963 -2.275 0.402 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.315 0.374 0.281 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.164 -0.722 0.309 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -2.580 0.674 -0.575 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.199 -0.625 -2.349 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -0.983 -1.497 -1.437 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.924 -0.234 3.044 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.395 0.390 4.282 1.00 0.02 C ATOM 697 C CYS A 206 -1.309 0.436 5.348 0.48 0.02 C ATOM 698 O CYS A 206 -1.308 1.321 6.203 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.637 -0.335 4.816 0.20 0.02 C ATOM 700 SG CYS A 206 -3.303 -1.805 5.842 -0.20 0.02 S ATOM 0 H CYS A 206 -1.893 -1.253 3.063 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.662 1.419 4.042 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.225 0.371 5.403 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -4.253 -0.636 3.969 0.20 0.02 H new ATOM 705 N SER A 207 -0.383 -0.509 5.295 -0.36 0.02 N ATOM 706 CA SER A 207 0.702 -0.549 6.264 1.00 0.02 C ATOM 707 C SER A 207 1.526 0.728 6.180 0.48 0.02 C ATOM 708 O SER A 207 2.238 1.085 7.118 -0.48 0.02 O ATOM 709 CB SER A 207 1.595 -1.766 6.023 0.08 0.02 C ATOM 710 OG SER A 207 2.478 -1.975 7.112 -0.68 0.02 O ATOM 0 H SER A 207 -0.360 -1.253 4.598 -0.36 0.02 H new ATOM 0 HA SER A 207 0.271 -0.629 7.262 1.00 0.02 H new ATOM 0 HB2 SER A 207 0.976 -2.652 5.877 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.169 -1.624 5.107 0.08 0.02 H new ATOM 0 HG SER A 207 3.037 -2.760 6.934 -0.68 0.02 H new ATOM 716 N GLU A 208 1.456 1.387 5.028 -0.36 0.02 N ATOM 717 CA GLU A 208 2.224 2.595 4.784 1.00 0.02 C ATOM 718 C GLU A 208 1.602 3.809 5.468 0.48 0.02 C ATOM 719 O GLU A 208 2.214 4.394 6.361 -0.48 0.02 O ATOM 720 CB GLU A 208 2.301 2.832 3.274 -0.20 0.02 C ATOM 721 CG GLU A 208 3.344 1.977 2.574 -0.45 0.02 C ATOM 722 CD GLU A 208 4.460 2.800 1.961 0.49 0.02 C ATOM 723 OE1 GLU A 208 4.155 3.720 1.172 -0.62 0.02 O ATOM 724 OE2 GLU A 208 5.639 2.525 2.268 -0.62 0.02 O ATOM 0 H GLU A 208 0.869 1.099 4.245 -0.36 0.02 H new ATOM 0 HA GLU A 208 3.222 2.461 5.201 1.00 0.02 H new ATOM 0 HB2 GLU A 208 1.324 2.631 2.833 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 2.523 3.883 3.091 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.769 1.272 3.288 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.861 1.389 1.794 -0.45 0.02 H new ATOM 731 N ASN A 209 0.388 4.180 5.058 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.316 5.327 5.642 1.00 0.02 C ATOM 733 C ASN A 209 -1.387 5.839 4.685 0.48 0.02 C ATOM 734 O ASN A 209 -1.319 6.975 4.214 -0.48 0.02 O ATOM 735 CB ASN A 209 0.653 6.469 5.978 -0.20 0.02 C ATOM 736 CG ASN A 209 1.666 6.714 4.877 0.48 0.02 C ATOM 737 OD1 ASN A 209 2.946 6.623 5.219 -0.48 0.02 O flip ATOM 738 ND2 ASN A 209 1.303 6.981 3.731 -0.52 0.02 N flip ATOM 0 H ASN A 209 -0.131 3.702 4.321 -0.36 0.02 H new ATOM 0 HA ASN A 209 -0.784 4.986 6.565 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.085 7.383 6.155 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 1.178 6.235 6.904 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 0.309 7.041 3.512 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 1.997 7.142 3.001 -0.52 0.02 H new ATOM 745 N MET A 210 -2.375 4.999 4.394 -0.36 0.02 N ATOM 746 CA MET A 210 -3.453 5.382 3.484 1.00 0.02 C ATOM 747 C MET A 210 -4.812 5.070 4.052 0.48 0.02 C ATOM 748 O MET A 210 -5.792 5.739 3.720 -0.48 0.02 O ATOM 749 CB MET A 210 -3.282 4.698 2.128 -0.20 0.02 C ATOM 750 CG MET A 210 -1.844 4.668 1.643 -0.11 5.02 C ATOM 751 SD MET A 210 -1.652 5.328 -0.024 -0.17 0.02 S ATOM 752 CE MET A 210 -1.740 3.824 -0.993 -0.21 5.02 C ATOM 0 H MET A 210 -2.453 4.055 4.771 -0.36 0.02 H new ATOM 0 HA MET A 210 -3.390 6.462 3.351 1.00 0.02 H new ATOM 0 HB2 MET A 210 -3.656 3.676 2.195 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -3.896 5.214 1.390 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.222 5.242 2.330 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -1.479 3.641 1.666 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -1.637 4.066 -2.051 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -0.936 3.151 -0.695 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -2.701 3.338 -0.824 -0.21 5.02 H new ATOM 762 N CYS A 211 -4.894 4.058 4.888 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.183 3.705 5.448 1.00 0.02 C ATOM 764 C CYS A 211 -6.456 4.386 6.769 0.48 0.02 C ATOM 765 O CYS A 211 -5.598 5.062 7.337 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.362 2.192 5.575 0.20 0.02 C ATOM 767 SG CYS A 211 -6.718 1.350 4.001 -0.20 0.02 S ATOM 0 H CYS A 211 -4.110 3.479 5.189 -0.36 0.02 H new ATOM 0 HA CYS A 211 -6.921 4.073 4.736 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.457 1.765 6.006 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.174 1.991 6.274 0.20 0.02 H new ATOM 772 N ALA A 212 -7.690 4.222 7.228 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.130 4.838 8.455 1.00 0.02 C ATOM 774 C ALA A 212 -8.114 3.849 9.636 0.48 0.02 C ATOM 775 O ALA A 212 -7.170 3.074 9.789 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.510 5.456 8.250 -0.30 0.02 C ATOM 0 H ALA A 212 -8.402 3.662 6.759 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.428 5.630 8.716 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.842 5.921 9.178 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.458 6.210 7.464 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.217 4.679 7.961 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.153 3.896 10.478 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.252 3.027 11.655 1.00 0.02 C ATOM 784 C GLN A 213 -8.901 1.572 11.344 0.48 0.02 C ATOM 785 O GLN A 213 -8.073 0.965 12.023 -0.48 0.02 O ATOM 786 CB GLN A 213 -10.653 3.108 12.264 -0.20 0.02 C ATOM 787 CG GLN A 213 -10.671 3.702 13.663 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.127 5.147 13.677 0.48 0.02 C ATOM 789 OE1 GLN A 213 -12.199 5.467 14.192 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -10.314 6.030 13.110 -0.52 0.02 N ATOM 0 H GLN A 213 -9.942 4.532 10.364 -0.36 0.02 H new ATOM 0 HA GLN A 213 -8.519 3.390 12.375 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.289 3.709 11.614 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.085 2.108 12.297 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -11.332 3.110 14.296 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -9.672 3.636 14.095 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -9.435 5.721 12.695 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -10.568 7.018 13.089 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.533 1.020 10.318 -0.36 0.02 N ATOM 800 CA LEU A 214 -9.288 -0.359 9.919 1.00 0.02 C ATOM 801 C LEU A 214 -8.910 -0.449 8.466 0.48 0.02 C ATOM 802 O LEU A 214 -9.589 0.111 7.616 -0.48 0.02 O ATOM 803 CB LEU A 214 -10.525 -1.209 10.141 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.836 -1.496 11.594 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.623 -2.128 12.258 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -11.250 -0.221 12.299 -0.30 0.02 C ATOM 0 H LEU A 214 -10.222 1.508 9.745 -0.36 0.02 H new ATOM 0 HA LEU A 214 -8.465 -0.726 10.532 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -11.381 -0.706 9.692 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -10.399 -2.156 9.616 -0.20 0.02 H new ATOM 0 HG LEU A 214 -11.668 -2.198 11.660 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -9.847 -2.335 13.304 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -9.374 -3.059 11.750 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.777 -1.444 12.197 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -11.472 -0.438 13.344 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.439 0.505 12.244 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -12.138 0.189 11.818 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.822 -1.135 8.165 -0.36 0.02 N ATOM 819 CA CYS A 215 -7.404 -1.249 6.793 1.00 0.02 C ATOM 820 C CYS A 215 -7.426 -2.695 6.292 0.48 0.02 C ATOM 821 O CYS A 215 -6.400 -3.374 6.309 -0.48 0.02 O ATOM 822 CB CYS A 215 -6.006 -0.653 6.631 0.20 0.02 C ATOM 823 SG CYS A 215 -4.649 -1.639 7.357 -0.20 0.02 S ATOM 0 H CYS A 215 -7.226 -1.611 8.843 -0.36 0.02 H new ATOM 0 HA CYS A 215 -8.117 -0.693 6.185 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.807 -0.519 5.568 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.996 0.338 7.085 0.20 0.02 H new ATOM 828 N VAL A 216 -8.572 -3.170 5.791 -0.36 0.02 N ATOM 829 CA VAL A 216 -8.605 -4.519 5.253 1.00 0.02 C ATOM 830 C VAL A 216 -8.017 -4.469 3.872 0.48 0.02 C ATOM 831 O VAL A 216 -8.711 -4.246 2.882 -0.48 0.02 O ATOM 832 CB VAL A 216 -10.009 -5.145 5.169 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -10.098 -6.162 4.022 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -10.387 -5.807 6.486 -0.30 0.02 C ATOM 0 H VAL A 216 -9.453 -2.658 5.750 -0.36 0.02 H new ATOM 0 HA VAL A 216 -8.040 -5.150 5.939 1.00 0.02 H new ATOM 0 HB VAL A 216 -10.715 -4.340 4.967 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -11.101 -6.586 3.989 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -9.883 -5.664 3.077 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -9.372 -6.959 4.185 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -11.383 -6.242 6.402 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -9.667 -6.591 6.719 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -10.382 -5.062 7.282 -0.30 0.02 H new ATOM 844 N ASN A 217 -6.737 -4.653 3.813 -0.36 0.02 N ATOM 845 CA ASN A 217 -6.044 -4.608 2.556 1.00 0.02 C ATOM 846 C ASN A 217 -6.124 -5.955 1.860 0.48 0.02 C ATOM 847 O ASN A 217 -5.407 -6.876 2.252 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.586 -4.248 2.798 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.896 -3.800 1.539 0.48 0.02 C ATOM 850 OD1 ASN A 217 -2.985 -2.856 1.682 -0.48 0.02 O flip ATOM 851 ND2 ASN A 217 -4.184 -4.289 0.448 -0.52 0.02 N flip ATOM 0 H ASN A 217 -6.144 -4.837 4.622 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.511 -3.856 1.920 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.528 -3.455 3.544 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -4.063 -5.112 3.209 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -4.896 -5.017 0.387 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -3.711 -3.966 -0.396 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.984 -6.118 0.844 -0.36 0.02 N ATOM 859 CA TYR A 218 -7.060 -7.415 0.201 1.00 0.02 C ATOM 860 C TYR A 218 -5.994 -7.539 -0.863 0.48 0.02 C ATOM 861 O TYR A 218 -5.381 -6.545 -1.268 -0.48 0.02 O ATOM 862 CB TYR A 218 -8.463 -7.710 -0.365 -0.20 0.02 C ATOM 863 CG TYR A 218 -9.094 -6.623 -1.213 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.827 -6.528 -2.576 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.996 -5.721 -0.658 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.439 -5.563 -3.358 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.606 -4.750 -1.432 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.326 -4.677 -2.781 0.20 0.02 C ATOM 869 OH TYR A 218 -10.936 -3.717 -3.556 -0.60 0.02 O ATOM 0 H TYR A 218 -7.605 -5.399 0.471 -0.36 0.02 H new ATOM 0 HA TYR A 218 -6.875 -8.171 0.964 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -8.405 -8.619 -0.964 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -9.130 -7.921 0.471 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -8.132 -7.218 -3.031 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -10.224 -5.780 0.396 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.223 -5.504 -4.415 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.298 -4.053 -0.983 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.532 -3.175 -2.997 -0.60 0.02 H new ATOM 879 N PRO A 219 -5.713 -8.770 -1.306 -0.36 0.02 N ATOM 880 CA PRO A 219 -4.687 -9.004 -2.298 1.00 0.02 C ATOM 881 C PRO A 219 -4.833 -8.069 -3.493 0.48 0.02 C ATOM 882 O PRO A 219 -5.669 -8.291 -4.369 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.886 -10.471 -2.716 -0.20 0.02 C ATOM 884 CG PRO A 219 -6.149 -10.916 -2.052 -0.20 0.02 C ATOM 885 CD PRO A 219 -6.331 -10.025 -0.858 0.06 0.02 C ATOM 0 HA PRO A 219 -3.689 -8.813 -1.903 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.961 -10.562 -3.800 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -4.042 -11.085 -2.402 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.997 -10.833 -2.732 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -6.083 -11.962 -1.751 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -7.383 -9.893 -0.606 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -5.839 -10.427 0.028 0.06 0.02 H new ATOM 893 N GLY A 220 -4.011 -7.026 -3.526 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.060 -6.079 -4.619 -0.10 0.02 C ATOM 895 C GLY A 220 -4.709 -4.764 -4.236 0.48 0.02 C ATOM 896 O GLY A 220 -4.039 -3.737 -4.153 -0.48 0.02 O ATOM 0 H GLY A 220 -3.311 -6.821 -2.813 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.047 -5.888 -4.972 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.610 -6.520 -5.450 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.019 -4.796 -4.023 -0.36 0.02 N ATOM 901 CA GLY A 221 -6.746 -3.590 -3.666 -0.10 0.02 C ATOM 902 C GLY A 221 -7.087 -3.490 -2.197 0.48 0.02 C ATOM 903 O GLY A 221 -7.956 -4.204 -1.694 -0.48 0.02 O ATOM 0 H GLY A 221 -6.593 -5.637 -4.091 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.151 -2.722 -3.950 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.668 -3.549 -4.246 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.389 -2.644 -1.476 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.640 -2.509 -0.062 1.00 0.02 C ATOM 909 C TYR A 222 -8.043 -1.966 0.224 0.48 0.02 C ATOM 910 O TYR A 222 -8.775 -1.590 -0.691 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.604 -1.582 0.540 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.718 -0.187 0.005 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.062 0.183 -1.155 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.485 0.751 0.660 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.166 1.467 -1.652 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.602 2.041 0.174 -0.14 0.02 C ATOM 917 CZ TYR A 222 -5.937 2.394 -0.983 0.20 0.02 C ATOM 918 OH TYR A 222 -6.047 3.676 -1.472 -0.60 0.02 O ATOM 0 H TYR A 222 -5.649 -2.044 -1.842 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.574 -3.500 0.388 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.719 -1.565 1.624 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.607 -1.969 0.332 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.459 -0.543 -1.680 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -7.003 0.475 1.567 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -4.647 1.743 -2.558 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.209 2.766 0.696 -0.14 0.02 H new ATOM 0 HH TYR A 222 -6.041 3.654 -2.452 -0.60 0.02 H new ATOM 928 N THR A 223 -8.393 -1.901 1.510 -0.36 0.02 N ATOM 929 CA THR A 223 -9.685 -1.374 1.939 1.00 0.02 C ATOM 930 C THR A 223 -9.530 -0.651 3.262 0.48 0.02 C ATOM 931 O THR A 223 -8.792 -1.095 4.138 -0.48 0.02 O ATOM 932 CB THR A 223 -10.723 -2.487 2.091 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.931 -3.152 0.861 -0.68 0.02 O ATOM 934 CG2 THR A 223 -12.068 -1.986 2.578 -0.30 0.02 C ATOM 0 H THR A 223 -7.793 -2.210 2.275 -0.36 0.02 H new ATOM 0 HA THR A 223 -10.034 -0.683 1.172 1.00 0.02 H new ATOM 0 HB THR A 223 -10.312 -3.165 2.839 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.272 -3.870 0.762 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.759 -2.825 2.665 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.949 -1.512 3.552 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.465 -1.261 1.868 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.209 0.473 3.400 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.120 1.252 4.621 1.00 0.02 C ATOM 944 C CYS A 224 -11.492 1.462 5.246 0.48 0.02 C ATOM 945 O CYS A 224 -12.283 2.274 4.770 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.472 2.602 4.327 0.20 0.02 C ATOM 947 SG CYS A 224 -8.112 2.532 3.115 -0.20 0.02 S ATOM 0 H CYS A 224 -10.824 0.865 2.687 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.507 0.698 5.332 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.236 3.286 3.959 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.092 3.020 5.259 0.20 0.02 H new ATOM 952 N TYR A 225 -11.760 0.738 6.326 -0.36 0.02 N ATOM 953 CA TYR A 225 -13.024 0.861 7.027 1.00 0.02 C ATOM 954 C TYR A 225 -12.810 1.427 8.433 0.48 0.02 C ATOM 955 O TYR A 225 -11.898 1.021 9.139 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.761 -0.481 7.076 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.992 -1.621 7.711 1.00 0.02 C ATOM 958 CD1 TYR A 225 -11.860 -2.165 7.107 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -13.425 -2.176 8.907 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -11.193 -3.224 7.678 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -12.755 -3.236 9.487 -0.14 0.02 C ATOM 962 CZ TYR A 225 -11.641 -3.759 8.867 0.20 0.02 C ATOM 963 OH TYR A 225 -10.973 -4.818 9.438 -0.60 0.02 O ATOM 0 H TYR A 225 -11.116 0.060 6.733 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.651 1.560 6.474 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.693 -0.344 7.624 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -14.028 -0.767 6.059 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -11.501 -1.749 6.177 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -14.301 -1.772 9.393 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -10.319 -3.636 7.195 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -13.102 -3.652 10.421 -0.14 0.02 H new ATOM 0 HH TYR A 225 -11.418 -5.074 10.273 -0.60 0.02 H new ATOM 973 N CYS A 226 -13.646 2.386 8.824 -0.36 0.02 N ATOM 974 CA CYS A 226 -13.534 3.024 10.136 1.00 0.02 C ATOM 975 C CYS A 226 -14.551 2.461 11.125 0.48 0.02 C ATOM 976 O CYS A 226 -15.136 1.410 10.884 -0.48 0.02 O ATOM 977 CB CYS A 226 -13.730 4.513 9.999 0.20 0.02 C ATOM 978 SG CYS A 226 -12.210 5.491 10.289 -0.20 0.02 S ATOM 0 H CYS A 226 -14.411 2.740 8.250 -0.36 0.02 H new ATOM 0 HA CYS A 226 -12.537 2.816 10.524 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -14.104 4.730 8.999 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.497 4.835 10.703 0.20 0.02 H new ATOM 983 N ASP A 227 -14.744 3.181 12.238 -0.36 0.02 N ATOM 984 CA ASP A 227 -15.673 2.794 13.294 1.00 0.02 C ATOM 985 C ASP A 227 -15.012 1.889 14.331 0.48 0.02 C ATOM 986 O ASP A 227 -15.612 0.932 14.821 -0.48 0.02 O ATOM 987 CB ASP A 227 -16.959 2.167 12.718 -0.45 0.02 C ATOM 988 CG ASP A 227 -16.936 0.646 12.618 0.49 0.02 C ATOM 989 OD1 ASP A 227 -15.834 0.058 12.596 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -18.029 0.043 12.561 -0.62 0.02 O ATOM 0 H ASP A 227 -14.253 4.055 12.427 -0.36 0.02 H new ATOM 0 HA ASP A 227 -15.966 3.706 13.814 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -17.803 2.464 13.341 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.135 2.580 11.725 -0.45 0.02 H new ATOM 995 N GLY A 228 -13.774 2.216 14.678 -0.36 0.02 N ATOM 996 CA GLY A 228 -13.057 1.436 15.664 -0.10 0.02 C ATOM 997 C GLY A 228 -13.141 2.031 17.057 0.48 0.02 C ATOM 998 O GLY A 228 -13.992 1.639 17.856 -0.48 0.02 O ATOM 0 H GLY A 228 -13.255 3.006 14.294 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -13.459 0.423 15.682 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -12.011 1.359 15.369 -0.10 0.02 H new ATOM 1002 N LYS A 229 -12.251 2.973 17.351 -0.36 0.02 N ATOM 1003 CA LYS A 229 -12.223 3.616 18.664 1.00 0.02 C ATOM 1004 C LYS A 229 -13.454 4.493 18.887 0.48 0.02 C ATOM 1005 O LYS A 229 -14.207 4.284 19.838 -0.48 0.02 O ATOM 1006 CB LYS A 229 -10.947 4.452 18.839 -0.20 0.02 C ATOM 1007 CG LYS A 229 -10.443 5.109 17.561 -0.20 0.02 C ATOM 1008 CD LYS A 229 -9.941 6.523 17.815 -0.20 0.02 C ATOM 1009 CE LYS A 229 -8.477 6.673 17.430 0.30 5.02 C ATOM 1010 NZ LYS A 229 -7.579 6.586 18.614 -0.81 0.02 N ATOM 0 H LYS A 229 -11.540 3.309 16.701 -0.36 0.02 H new ATOM 0 HA LYS A 229 -12.230 2.822 19.411 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -11.135 5.227 19.582 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -10.160 3.812 19.238 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -9.639 4.508 17.136 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -11.246 5.135 16.824 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -10.542 7.231 17.245 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -10.068 6.772 18.869 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -8.209 5.897 16.713 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -8.329 7.631 16.932 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -6.591 6.693 18.309 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -7.817 7.342 19.287 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -7.701 5.662 19.075 -0.81 0.02 H new ATOM 1024 N LYS A 230 -13.651 5.479 18.017 -0.36 0.02 N ATOM 1025 CA LYS A 230 -14.788 6.386 18.136 1.00 0.02 C ATOM 1026 C LYS A 230 -16.106 5.652 17.906 0.48 0.02 C ATOM 1027 O LYS A 230 -17.112 5.951 18.549 -0.48 0.02 O ATOM 1028 CB LYS A 230 -14.644 7.547 17.151 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.284 8.866 17.815 -0.20 0.02 C ATOM 1030 CD LYS A 230 -15.472 9.813 17.863 -0.20 0.02 C ATOM 1031 CE LYS A 230 -15.482 10.627 19.146 0.30 5.02 C ATOM 1032 NZ LYS A 230 -16.415 11.784 19.063 -0.81 0.02 N ATOM 0 H LYS A 230 -13.039 5.670 17.223 -0.36 0.02 H new ATOM 0 HA LYS A 230 -14.799 6.784 19.151 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -13.877 7.298 16.418 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -15.580 7.668 16.605 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -13.927 8.678 18.828 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -13.465 9.336 17.270 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -15.439 10.484 17.005 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -16.397 9.242 17.785 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -15.771 9.987 19.980 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -14.475 10.987 19.355 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -16.392 12.313 19.958 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -16.125 12.409 18.284 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -17.381 11.439 18.889 -0.81 0.02 H new ATOM 1046 N GLY A 231 -16.095 4.687 16.993 -0.36 0.02 N ATOM 1047 CA GLY A 231 -17.296 3.924 16.709 -0.10 0.02 C ATOM 1048 C GLY A 231 -18.228 4.623 15.737 0.48 0.02 C ATOM 1049 O GLY A 231 -19.290 5.110 16.125 -0.48 0.02 O ATOM 0 H GLY A 231 -15.277 4.420 16.445 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -17.015 2.954 16.300 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -17.828 3.735 17.641 -0.10 0.02 H new ATOM 1053 N PHE A 232 -17.836 4.661 14.467 -0.36 0.02 N ATOM 1054 CA PHE A 232 -18.649 5.291 13.434 1.00 0.02 C ATOM 1055 C PHE A 232 -18.867 4.375 12.220 0.48 0.02 C ATOM 1056 O PHE A 232 -19.452 3.300 12.354 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.066 6.630 13.007 -0.16 0.02 C ATOM 1058 CG PHE A 232 -16.587 6.715 12.845 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -15.762 6.884 13.940 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.033 6.730 11.580 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.402 7.043 13.776 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -14.686 6.909 11.411 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -13.862 7.061 12.507 -0.15 0.02 C ATOM 0 H PHE A 232 -16.960 4.263 14.129 -0.36 0.02 H new ATOM 0 HA PHE A 232 -19.628 5.473 13.878 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.525 6.910 12.059 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.368 7.378 13.740 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.186 6.892 14.933 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -16.668 6.599 10.716 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -13.762 7.153 14.639 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.267 6.931 10.416 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -12.799 7.194 12.372 -0.15 0.02 H new ATOM 1073 N LYS A 233 -18.441 4.812 11.030 -0.36 0.02 N ATOM 1074 CA LYS A 233 -18.644 4.032 9.818 1.00 0.02 C ATOM 1075 C LYS A 233 -17.700 4.462 8.697 0.48 0.02 C ATOM 1076 O LYS A 233 -17.087 5.528 8.757 -0.48 0.02 O ATOM 1077 CB LYS A 233 -20.078 4.227 9.358 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.007 3.084 9.738 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.392 3.590 10.110 -0.20 0.02 C ATOM 1080 CE LYS A 233 -23.403 3.316 9.007 0.30 5.02 C ATOM 1081 NZ LYS A 233 -24.316 2.193 9.356 -0.81 0.02 N ATOM 0 H LYS A 233 -17.956 5.698 10.887 -0.36 0.02 H new ATOM 0 HA LYS A 233 -18.437 2.986 10.044 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -20.464 5.153 9.785 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -20.089 4.346 8.275 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -21.086 2.386 8.905 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -20.583 2.533 10.577 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -22.720 3.110 11.032 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -22.348 4.661 10.306 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -23.989 4.216 8.820 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -22.876 3.081 8.082 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -24.989 2.039 8.579 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -23.759 1.328 9.509 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -24.838 2.427 10.225 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.596 3.619 7.671 -0.36 0.02 N ATOM 1096 CA LEU A 234 -16.738 3.896 6.525 1.00 0.02 C ATOM 1097 C LEU A 234 -17.506 4.620 5.418 0.48 0.02 C ATOM 1098 O LEU A 234 -18.379 4.036 4.776 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.155 2.587 5.976 -0.20 0.02 C ATOM 1100 CG LEU A 234 -15.654 2.643 4.527 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -14.567 3.692 4.379 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.144 1.281 4.080 -0.30 0.02 C ATOM 0 H LEU A 234 -18.099 2.734 7.612 -0.36 0.02 H new ATOM 0 HA LEU A 234 -15.929 4.544 6.861 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -15.328 2.281 6.616 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -16.918 1.811 6.049 -0.20 0.02 H new ATOM 0 HG LEU A 234 -16.492 2.921 3.888 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -14.224 3.717 3.345 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -14.965 4.669 4.653 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -13.731 3.444 5.033 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -14.794 1.344 3.050 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -14.322 0.971 4.725 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -15.951 0.551 4.145 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.182 5.894 5.209 -0.36 0.02 N ATOM 1115 CA ALA A 235 -17.844 6.704 4.189 1.00 0.02 C ATOM 1116 C ALA A 235 -17.882 5.992 2.841 0.48 0.02 C ATOM 1117 O ALA A 235 -17.436 4.852 2.710 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.132 8.040 4.037 -0.30 0.02 C ATOM 0 H ALA A 235 -16.462 6.389 5.735 -0.36 0.02 H new ATOM 0 HA ALA A 235 -18.871 6.868 4.516 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -17.634 8.635 3.274 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.154 8.574 4.987 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.097 7.869 3.741 -0.30 0.02 H new ATOM 1124 N GLN A 236 -18.434 6.671 1.840 -0.36 0.02 N ATOM 1125 CA GLN A 236 -18.555 6.105 0.503 1.00 0.02 C ATOM 1126 C GLN A 236 -17.285 6.297 -0.327 0.48 0.02 C ATOM 1127 O GLN A 236 -17.311 6.134 -1.547 -0.48 0.02 O ATOM 1128 CB GLN A 236 -19.750 6.723 -0.226 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.024 5.903 -0.108 -0.20 0.02 C ATOM 1130 CD GLN A 236 -21.989 6.158 -1.250 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -21.830 5.617 -2.345 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -22.996 6.986 -1.000 -0.52 0.02 N ATOM 0 H GLN A 236 -18.805 7.617 1.931 -0.36 0.02 H new ATOM 0 HA GLN A 236 -18.710 5.033 0.622 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -19.932 7.721 0.173 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -19.500 6.842 -1.280 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -20.769 4.844 -0.082 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -21.515 6.135 0.837 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -23.089 7.412 -0.078 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -23.677 7.196 -1.730 -0.52 0.02 H new ATOM 1141 N ASP A 237 -16.177 6.633 0.325 -0.36 0.02 N ATOM 1142 CA ASP A 237 -14.914 6.828 -0.385 1.00 0.02 C ATOM 1143 C ASP A 237 -14.147 5.512 -0.493 0.48 0.02 C ATOM 1144 O ASP A 237 -13.340 5.325 -1.404 -0.48 0.02 O ATOM 1145 CB ASP A 237 -14.046 7.879 0.320 -0.45 0.02 C ATOM 1146 CG ASP A 237 -14.868 8.937 1.034 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -15.193 8.733 2.223 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.184 9.968 0.405 -0.62 0.02 O ATOM 0 H ASP A 237 -16.125 6.775 1.334 -0.36 0.02 H new ATOM 0 HA ASP A 237 -15.148 7.184 -1.388 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -13.396 7.383 1.041 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -13.400 8.361 -0.413 -0.45 0.02 H new ATOM 1153 N GLN A 238 -14.404 4.602 0.447 -0.36 0.02 N ATOM 1154 CA GLN A 238 -13.743 3.297 0.469 1.00 0.02 C ATOM 1155 C GLN A 238 -12.291 3.408 0.938 0.48 0.02 C ATOM 1156 O GLN A 238 -11.583 2.405 1.024 -0.48 0.02 O ATOM 1157 CB GLN A 238 -13.796 2.637 -0.911 -0.20 0.02 C ATOM 1158 CG GLN A 238 -15.131 2.810 -1.621 -0.20 0.02 C ATOM 1159 CD GLN A 238 -15.813 1.487 -1.913 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -15.165 0.442 -1.977 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -17.128 1.526 -2.092 -0.52 0.02 N ATOM 0 H GLN A 238 -15.069 4.746 1.207 -0.36 0.02 H new ATOM 0 HA GLN A 238 -14.283 2.674 1.182 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -13.006 3.055 -1.535 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.587 1.573 -0.803 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -15.788 3.425 -1.006 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -14.974 3.348 -2.556 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -17.625 2.415 -2.030 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -17.641 0.667 -2.291 -0.52 0.02 H new ATOM 1170 N LYS A 239 -11.854 4.625 1.252 -0.36 0.02 N ATOM 1171 CA LYS A 239 -10.494 4.854 1.723 1.00 0.02 C ATOM 1172 C LYS A 239 -10.519 5.659 3.018 0.48 0.02 C ATOM 1173 O LYS A 239 -9.802 5.356 3.971 -0.48 0.02 O ATOM 1174 CB LYS A 239 -9.674 5.591 0.662 -0.20 0.02 C ATOM 1175 CG LYS A 239 -9.826 5.014 -0.736 -0.20 0.02 C ATOM 1176 CD LYS A 239 -9.461 6.035 -1.802 -0.20 0.02 C ATOM 1177 CE LYS A 239 -8.642 5.407 -2.918 0.30 5.02 C ATOM 1178 NZ LYS A 239 -9.449 4.457 -3.732 -0.81 0.02 N ATOM 0 H LYS A 239 -12.424 5.468 1.188 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.025 3.888 1.913 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -9.973 6.639 0.648 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -8.622 5.563 0.945 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -9.190 4.135 -0.839 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -10.854 4.683 -0.884 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -10.370 6.470 -2.217 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -8.896 6.850 -1.349 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -8.245 6.191 -3.563 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -7.787 4.883 -2.490 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -8.854 4.050 -4.482 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -9.807 3.694 -3.122 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -10.251 4.962 -4.161 -0.81 0.02 H new ATOM 1192 N SER A 240 -11.372 6.677 3.046 -0.36 0.02 N ATOM 1193 CA SER A 240 -11.527 7.519 4.222 1.00 0.02 C ATOM 1194 C SER A 240 -12.716 7.038 5.029 0.48 0.02 C ATOM 1195 O SER A 240 -13.288 5.992 4.731 -0.48 0.02 O ATOM 1196 CB SER A 240 -11.745 8.977 3.815 0.08 0.02 C ATOM 1197 OG SER A 240 -11.116 9.862 4.725 -0.68 0.02 O ATOM 0 H SER A 240 -11.969 6.939 2.262 -0.36 0.02 H new ATOM 0 HA SER A 240 -10.619 7.456 4.822 1.00 0.02 H new ATOM 0 HB2 SER A 240 -11.350 9.141 2.812 0.08 0.02 H new ATOM 0 HB3 SER A 240 -12.813 9.191 3.775 0.08 0.02 H new ATOM 0 HG SER A 240 -11.269 10.787 4.441 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.087 7.789 6.052 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.211 7.392 6.877 1.00 0.02 C ATOM 1205 C CYS A 241 -14.896 8.574 7.547 0.48 0.02 C ATOM 1206 O CYS A 241 -14.291 9.624 7.765 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.755 6.399 7.927 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.262 6.888 8.829 -0.20 0.02 S ATOM 0 H CYS A 241 -12.635 8.661 6.327 -0.36 0.02 H new ATOM 0 HA CYS A 241 -14.944 6.929 6.216 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -14.564 6.250 8.643 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.574 5.438 7.445 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.170 8.378 7.877 -0.36 0.02 N ATOM 1214 CA GLU A 242 -16.963 9.407 8.531 1.00 0.02 C ATOM 1215 C GLU A 242 -17.905 8.792 9.567 0.48 0.02 C ATOM 1216 O GLU A 242 -18.234 7.606 9.499 -0.48 0.02 O ATOM 1217 CB GLU A 242 -17.764 10.199 7.495 -0.20 0.02 C ATOM 1218 CG GLU A 242 -17.464 11.688 7.503 -0.45 0.02 C ATOM 1219 CD GLU A 242 -17.862 12.356 8.805 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -19.064 12.325 9.144 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -16.973 12.911 9.484 -0.62 0.02 O ATOM 0 H GLU A 242 -16.675 7.510 7.700 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.282 10.085 9.046 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -17.554 9.800 6.503 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -18.828 10.050 7.679 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -16.399 11.841 7.331 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -17.992 12.166 6.678 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.338 9.608 10.520 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.247 9.156 11.569 1.00 0.02 C ATOM 1230 C VAL A 243 -20.677 9.594 11.267 0.48 0.02 C ATOM 1231 O VAL A 243 -20.900 10.610 10.608 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.816 9.698 12.948 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -18.626 11.206 12.896 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.823 9.313 14.024 -0.30 0.02 C ATOM 0 H VAL A 243 -18.074 10.591 10.589 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.207 8.067 11.595 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.860 9.244 13.208 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -18.322 11.569 13.878 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -17.856 11.451 12.165 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -19.564 11.681 12.608 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.496 9.707 14.986 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.799 9.729 13.774 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.896 8.227 14.082 -0.30 0.02 H new