USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 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 223 THR OG1 : rot 91:sc= -0.7 USER MOD Set 1.2: A 225 TYR OH : rot 180:sc= -1.55 USER MOD Set 2.1: A 169 SER OG : rot -121:sc= 0.667 USER MOD Set 2.2: A 194 ASN : amide:sc= -0.574 K(o=0.52,f=-3.1!) USER MOD Set 2.3: A 196 LYS NZ :NH3+ -108:sc= 0.423 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0306) USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -7.15! C(o=-7.1!,f=-10!) USER MOD Single : A 191 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 TYR OH : rot -16:sc= -2.85! USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 SER OG : rot 66:sc= 0.33 USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= -1.37! C(o=-1.4!,f=-1.9!) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -1.99 K(o=-2,f=-3.2) USER MOD Single : A 217 ASN : amide:sc= -9.5! C(o=-9.5!,f=-9.4!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 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=-0.16) USER MOD Single : A 238 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.37) 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 15.458 6.959 -11.713 -0.36 0.02 N ATOM 26 CA ASP A 160 16.473 7.879 -11.209 1.00 0.01 C ATOM 27 C ASP A 160 17.357 7.197 -10.167 0.48 0.02 C ATOM 28 O ASP A 160 18.471 6.769 -10.470 -0.48 0.02 O ATOM 29 CB ASP A 160 15.818 9.129 -10.608 -0.45 0.01 C ATOM 30 CG ASP A 160 14.453 8.850 -10.003 0.49 0.01 C ATOM 31 OD1 ASP A 160 14.286 7.781 -9.376 -0.62 0.01 O ATOM 32 OD2 ASP A 160 13.554 9.702 -10.153 -0.62 0.01 O ATOM 0 HA ASP A 160 17.099 8.181 -12.049 1.00 0.01 H new ATOM 0 HB2 ASP A 160 16.472 9.542 -9.840 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 15.717 9.888 -11.383 -0.45 0.01 H new ATOM 37 N VAL A 161 16.853 7.099 -8.942 -0.36 0.01 N ATOM 38 CA VAL A 161 17.591 6.469 -7.857 1.00 0.01 C ATOM 39 C VAL A 161 16.638 5.777 -6.891 0.48 0.01 C ATOM 40 O VAL A 161 15.449 6.104 -6.842 -0.48 0.01 O ATOM 41 CB VAL A 161 18.439 7.494 -7.080 -0.10 0.01 C ATOM 42 CG1 VAL A 161 19.350 6.791 -6.086 -0.30 0.02 C ATOM 43 CG2 VAL A 161 19.246 8.355 -8.040 -0.30 0.02 C ATOM 0 H VAL A 161 15.933 7.450 -8.676 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.257 5.733 -8.307 1.00 0.01 H new ATOM 0 HB VAL A 161 17.767 8.146 -6.521 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 19.941 7.532 -5.547 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 18.746 6.223 -5.378 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 20.017 6.114 -6.620 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 19.839 9.073 -7.474 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 19.909 7.721 -8.628 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 18.569 8.889 -8.707 -0.30 0.02 H new ATOM 53 N ASP A 162 17.161 4.816 -6.129 -0.36 0.01 N ATOM 54 CA ASP A 162 16.351 4.073 -5.166 1.00 0.01 C ATOM 55 C ASP A 162 15.030 3.643 -5.794 0.48 0.01 C ATOM 56 O ASP A 162 14.057 4.397 -5.790 -0.48 0.02 O ATOM 57 CB ASP A 162 16.090 4.926 -3.924 -0.45 0.01 C ATOM 58 CG ASP A 162 17.368 5.303 -3.201 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.149 4.389 -2.861 -0.62 0.02 O ATOM 60 OD2 ASP A 162 17.588 6.511 -2.975 -0.62 0.02 O ATOM 0 H ASP A 162 18.141 4.535 -6.161 -0.36 0.01 H new ATOM 0 HA ASP A 162 16.901 3.179 -4.871 1.00 0.01 H new ATOM 0 HB2 ASP A 162 15.560 5.833 -4.215 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 15.438 4.380 -3.242 -0.45 0.01 H new ATOM 65 N GLU A 163 14.997 2.435 -6.343 -0.36 0.02 N ATOM 66 CA GLU A 163 13.788 1.934 -6.977 1.00 0.02 C ATOM 67 C GLU A 163 13.133 0.869 -6.111 0.48 0.02 C ATOM 68 O GLU A 163 12.057 1.083 -5.552 -0.48 0.02 O ATOM 69 CB GLU A 163 14.105 1.379 -8.367 -0.20 0.01 C ATOM 70 CG GLU A 163 15.137 2.199 -9.129 -0.45 0.01 C ATOM 71 CD GLU A 163 14.709 3.643 -9.335 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.284 4.288 -8.350 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.800 4.128 -10.482 -0.62 0.01 O ATOM 0 H GLU A 163 15.787 1.790 -6.361 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.088 2.762 -7.089 1.00 0.02 H new ATOM 0 HB2 GLU A 163 14.468 0.356 -8.267 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.185 1.335 -8.950 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 16.082 2.179 -8.586 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 15.317 1.736 -10.099 -0.45 0.01 H new ATOM 80 N CYS A 164 13.796 -0.272 -5.985 -0.36 0.02 N ATOM 81 CA CYS A 164 13.284 -1.358 -5.166 1.00 0.02 C ATOM 82 C CYS A 164 13.920 -1.326 -3.780 0.48 0.02 C ATOM 83 O CYS A 164 13.449 -1.984 -2.853 -0.48 0.02 O ATOM 84 CB CYS A 164 13.541 -2.702 -5.837 0.20 0.02 C ATOM 85 SG CYS A 164 12.090 -3.370 -6.709 -0.20 0.02 S ATOM 0 H CYS A 164 14.688 -0.468 -6.439 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.207 -1.228 -5.057 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.362 -2.594 -6.545 0.20 0.02 H new ATOM 0 HB3 CYS A 164 13.863 -3.420 -5.083 0.20 0.02 H new ATOM 90 N SER A 165 14.984 -0.540 -3.644 -0.36 0.02 N ATOM 91 CA SER A 165 15.673 -0.399 -2.372 1.00 0.02 C ATOM 92 C SER A 165 15.224 0.881 -1.671 0.48 0.02 C ATOM 93 O SER A 165 15.898 1.372 -0.765 -0.48 0.02 O ATOM 94 CB SER A 165 17.188 -0.376 -2.587 0.08 0.02 C ATOM 95 OG SER A 165 17.744 -1.670 -2.430 -0.68 0.02 O ATOM 0 H SER A 165 15.386 0.009 -4.404 -0.36 0.02 H new ATOM 0 HA SER A 165 15.422 -1.253 -1.743 1.00 0.02 H new ATOM 0 HB2 SER A 165 17.411 0.001 -3.585 0.08 0.02 H new ATOM 0 HB3 SER A 165 17.649 0.310 -1.877 0.08 0.02 H new ATOM 0 HG SER A 165 18.713 -1.630 -2.574 -0.68 0.02 H new ATOM 101 N LEU A 166 14.079 1.418 -2.098 -0.36 0.02 N ATOM 102 CA LEU A 166 13.542 2.638 -1.509 1.00 0.02 C ATOM 103 C LEU A 166 12.969 2.353 -0.124 0.48 0.02 C ATOM 104 O LEU A 166 12.929 3.231 0.739 -0.48 0.02 O ATOM 105 CB LEU A 166 12.461 3.235 -2.416 -0.20 0.02 C ATOM 106 CG LEU A 166 12.199 4.731 -2.220 -0.10 0.02 C ATOM 107 CD1 LEU A 166 13.267 5.553 -2.920 -0.30 0.02 C ATOM 108 CD2 LEU A 166 10.816 5.104 -2.737 -0.30 0.02 C ATOM 0 H LEU A 166 13.510 1.025 -2.848 -0.36 0.02 H new ATOM 0 HA LEU A 166 14.353 3.360 -1.408 1.00 0.02 H new ATOM 0 HB2 LEU A 166 12.746 3.065 -3.454 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 11.529 2.694 -2.249 -0.20 0.02 H new ATOM 0 HG LEU A 166 12.238 4.950 -1.153 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.066 6.614 -2.771 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 14.245 5.307 -2.506 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 13.258 5.329 -3.987 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 10.648 6.171 -2.589 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 10.749 4.870 -3.799 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 10.059 4.539 -2.193 -0.30 0.02 H new ATOM 120 N LYS A 167 12.532 1.113 0.079 -0.36 0.02 N ATOM 121 CA LYS A 167 11.965 0.693 1.354 1.00 0.02 C ATOM 122 C LYS A 167 12.578 -0.634 1.797 0.48 0.02 C ATOM 123 O LYS A 167 13.339 -1.251 1.052 -0.48 0.02 O ATOM 124 CB LYS A 167 10.444 0.558 1.237 -0.20 0.02 C ATOM 125 CG LYS A 167 9.678 1.666 1.942 -0.20 0.02 C ATOM 126 CD LYS A 167 9.177 2.711 0.958 -0.20 0.02 C ATOM 127 CE LYS A 167 8.043 2.171 0.102 0.30 5.02 C ATOM 128 NZ LYS A 167 7.776 3.037 -1.079 -0.81 0.02 N ATOM 0 H LYS A 167 12.561 0.379 -0.629 -0.36 0.02 H new ATOM 0 HA LYS A 167 12.195 1.451 2.103 1.00 0.02 H new ATOM 0 HB2 LYS A 167 10.168 0.552 0.182 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 10.140 -0.403 1.652 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 8.833 1.239 2.482 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 10.322 2.141 2.682 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 8.836 3.591 1.503 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 9.998 3.031 0.316 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.290 1.164 -0.235 0.30 5.02 H new ATOM 0 HE3 LYS A 167 7.139 2.092 0.706 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 6.923 2.701 -1.570 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 7.631 4.018 -0.765 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 8.587 2.998 -1.729 -0.81 0.02 H new ATOM 142 N PRO A 168 12.256 -1.096 3.018 -0.36 0.02 N ATOM 143 CA PRO A 168 12.783 -2.358 3.546 1.00 0.02 C ATOM 144 C PRO A 168 12.693 -3.494 2.530 0.48 0.02 C ATOM 145 O PRO A 168 13.624 -4.286 2.385 -0.48 0.02 O ATOM 146 CB PRO A 168 11.878 -2.636 4.746 -0.20 0.02 C ATOM 147 CG PRO A 168 11.450 -1.287 5.212 -0.20 0.02 C ATOM 148 CD PRO A 168 11.353 -0.429 3.978 0.06 0.02 C ATOM 0 HA PRO A 168 13.841 -2.290 3.798 1.00 0.02 H new ATOM 0 HB2 PRO A 168 11.022 -3.248 4.464 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 12.411 -3.175 5.529 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 10.491 -1.339 5.727 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 12.169 -0.873 5.919 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 10.331 -0.383 3.601 0.06 0.02 H new ATOM 0 HD3 PRO A 168 11.666 0.596 4.177 0.06 0.02 H new ATOM 156 N SER A 169 11.568 -3.561 1.827 -0.36 0.02 N ATOM 157 CA SER A 169 11.352 -4.594 0.819 1.00 0.02 C ATOM 158 C SER A 169 10.251 -4.175 -0.150 0.48 0.02 C ATOM 159 O SER A 169 9.065 -4.317 0.146 -0.48 0.02 O ATOM 160 CB SER A 169 10.985 -5.921 1.486 0.08 0.02 C ATOM 161 OG SER A 169 12.137 -6.716 1.707 -0.68 0.02 O ATOM 0 H SER A 169 10.790 -2.911 1.936 -0.36 0.02 H new ATOM 0 HA SER A 169 12.278 -4.725 0.260 1.00 0.02 H new ATOM 0 HB2 SER A 169 10.485 -5.729 2.435 0.08 0.02 H new ATOM 0 HB3 SER A 169 10.279 -6.464 0.858 0.08 0.02 H new ATOM 0 HG SER A 169 12.038 -7.572 1.241 -0.68 0.02 H new ATOM 167 N ILE A 170 10.649 -3.653 -1.306 -0.36 0.02 N ATOM 168 CA ILE A 170 9.688 -3.208 -2.309 1.00 0.02 C ATOM 169 C ILE A 170 9.315 -4.325 -3.269 0.48 0.02 C ATOM 170 O ILE A 170 8.259 -4.945 -3.139 -0.48 0.02 O ATOM 171 CB ILE A 170 10.232 -2.038 -3.145 -0.10 0.02 C ATOM 172 CG1 ILE A 170 10.706 -0.894 -2.242 -0.20 0.02 C ATOM 173 CG2 ILE A 170 9.178 -1.554 -4.127 -0.30 0.02 C ATOM 174 CD1 ILE A 170 9.948 0.399 -2.457 -0.30 0.02 C ATOM 0 H ILE A 170 11.626 -3.528 -1.571 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.809 -2.888 -1.750 1.00 0.02 H new ATOM 0 HB ILE A 170 11.093 -2.392 -3.713 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 10.603 -1.197 -1.200 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 11.767 -0.718 -2.419 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 9.578 -0.726 -4.711 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 8.902 -2.369 -4.795 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 8.297 -1.219 -3.579 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.336 1.164 -1.785 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.072 0.726 -3.489 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 8.890 0.239 -2.252 -0.30 0.02 H new ATOM 186 N CYS A 171 10.173 -4.555 -4.259 -0.36 0.02 N ATOM 187 CA CYS A 171 9.909 -5.565 -5.257 1.00 0.02 C ATOM 188 C CYS A 171 11.157 -6.374 -5.595 0.48 0.02 C ATOM 189 O CYS A 171 11.365 -6.748 -6.749 -0.48 0.02 O ATOM 190 CB CYS A 171 9.340 -4.898 -6.512 0.20 0.02 C ATOM 191 SG CYS A 171 7.793 -5.648 -7.112 -0.20 0.02 S ATOM 0 H CYS A 171 11.052 -4.053 -4.384 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.180 -6.266 -4.851 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.163 -3.843 -6.302 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.086 -4.944 -7.306 0.20 0.02 H new ATOM 196 N GLY A 172 11.980 -6.648 -4.580 -0.36 0.02 N ATOM 197 CA GLY A 172 13.199 -7.421 -4.786 -0.10 0.02 C ATOM 198 C GLY A 172 13.882 -7.091 -6.098 0.48 0.02 C ATOM 199 O GLY A 172 14.250 -7.988 -6.857 -0.48 0.02 O ATOM 0 H GLY A 172 11.824 -6.348 -3.618 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.889 -7.231 -3.964 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.959 -8.484 -4.762 -0.10 0.02 H new ATOM 203 N THR A 173 14.039 -5.795 -6.357 -0.36 0.02 N ATOM 204 CA THR A 173 14.663 -5.297 -7.574 1.00 0.02 C ATOM 205 C THR A 173 14.439 -6.252 -8.748 0.48 0.02 C ATOM 206 O THR A 173 15.370 -6.597 -9.476 -0.48 0.02 O ATOM 207 CB THR A 173 16.149 -5.058 -7.330 0.18 0.02 C ATOM 208 OG1 THR A 173 16.423 -4.985 -5.942 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.665 -3.781 -7.965 -0.30 0.02 C ATOM 0 H THR A 173 13.734 -5.058 -5.722 -0.36 0.02 H new ATOM 0 HA THR A 173 14.196 -4.349 -7.842 1.00 0.02 H new ATOM 0 HB THR A 173 16.656 -5.905 -7.791 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.381 -4.833 -5.805 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.729 -3.673 -7.752 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.513 -3.824 -9.044 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.125 -2.927 -7.556 -0.30 0.02 H new ATOM 217 N ALA A 174 13.183 -6.667 -8.917 -0.36 0.02 N ATOM 218 CA ALA A 174 12.800 -7.578 -9.992 1.00 0.02 C ATOM 219 C ALA A 174 12.665 -6.818 -11.304 0.48 0.02 C ATOM 220 O ALA A 174 13.507 -6.927 -12.196 -0.48 0.02 O ATOM 221 CB ALA A 174 11.485 -8.276 -9.644 -0.30 0.02 C ATOM 0 H ALA A 174 12.409 -6.383 -8.317 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.578 -8.333 -10.107 1.00 0.02 H new ATOM 0 HB1 ALA A 174 11.208 -8.953 -10.452 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.607 -8.843 -8.721 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.701 -7.530 -9.511 -0.30 0.02 H new ATOM 227 N VAL A 175 11.604 -6.036 -11.396 -0.36 0.02 N ATOM 228 CA VAL A 175 11.332 -5.224 -12.573 1.00 0.02 C ATOM 229 C VAL A 175 10.513 -4.006 -12.174 0.48 0.02 C ATOM 230 O VAL A 175 9.682 -3.517 -12.940 -0.48 0.02 O ATOM 231 CB VAL A 175 10.571 -6.019 -13.652 -0.10 0.02 C ATOM 232 CG1 VAL A 175 10.524 -5.240 -14.958 -0.30 0.02 C ATOM 233 CG2 VAL A 175 11.208 -7.385 -13.860 -0.30 0.02 C ATOM 0 H VAL A 175 10.906 -5.945 -10.658 -0.36 0.02 H new ATOM 0 HA VAL A 175 12.289 -4.915 -12.993 1.00 0.02 H new ATOM 0 HB VAL A 175 9.547 -6.170 -13.309 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.983 -5.818 -15.707 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 10.016 -4.289 -14.796 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 11.540 -5.054 -15.307 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.656 -7.931 -14.625 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 12.243 -7.259 -14.179 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 11.182 -7.945 -12.925 -0.30 0.02 H new ATOM 243 N CYS A 176 10.744 -3.540 -10.951 -0.36 0.02 N ATOM 244 CA CYS A 176 10.033 -2.405 -10.408 1.00 0.02 C ATOM 245 C CYS A 176 10.418 -1.101 -11.092 0.48 0.02 C ATOM 246 O CYS A 176 11.552 -0.636 -10.979 -0.48 0.02 O ATOM 247 CB CYS A 176 10.305 -2.306 -8.912 0.20 0.02 C ATOM 248 SG CYS A 176 12.070 -2.352 -8.463 -0.20 0.02 S ATOM 0 H CYS A 176 11.431 -3.944 -10.314 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.970 -2.562 -10.588 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.871 -1.379 -8.537 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.793 -3.125 -8.407 0.20 0.02 H new ATOM 253 N LYS A 177 9.450 -0.501 -11.775 -0.36 0.02 N ATOM 254 CA LYS A 177 9.668 0.771 -12.446 1.00 0.02 C ATOM 255 C LYS A 177 9.412 1.900 -11.459 0.48 0.02 C ATOM 256 O LYS A 177 8.288 2.383 -11.328 -0.48 0.02 O ATOM 257 CB LYS A 177 8.746 0.904 -13.661 -0.20 0.02 C ATOM 258 CG LYS A 177 9.417 0.543 -14.977 -0.20 0.02 C ATOM 259 CD LYS A 177 9.768 1.783 -15.784 -0.20 0.02 C ATOM 260 CE LYS A 177 11.099 2.375 -15.346 0.30 5.02 C ATOM 261 NZ LYS A 177 10.916 3.572 -14.479 -0.81 0.02 N ATOM 0 H LYS A 177 8.507 -0.876 -11.878 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.698 0.822 -12.800 1.00 0.02 H new ATOM 0 HB2 LYS A 177 7.876 0.263 -13.518 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.380 1.929 -13.719 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 10.322 -0.032 -14.779 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 8.755 -0.096 -15.561 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 9.813 1.529 -16.843 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 8.981 2.529 -15.668 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 11.672 1.621 -14.807 0.30 5.02 H new ATOM 0 HE3 LYS A 177 11.681 2.649 -16.226 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 11.846 3.946 -14.202 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 10.391 4.302 -15.002 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 10.382 3.305 -13.627 -0.81 0.02 H new ATOM 275 N ASN A 178 10.455 2.286 -10.734 -0.36 0.02 N ATOM 276 CA ASN A 178 10.333 3.329 -9.727 1.00 0.01 C ATOM 277 C ASN A 178 10.490 4.723 -10.313 0.48 0.02 C ATOM 278 O ASN A 178 10.963 4.896 -11.437 -0.48 0.02 O ATOM 279 CB ASN A 178 11.359 3.115 -8.618 -0.20 0.01 C ATOM 280 CG ASN A 178 11.000 3.860 -7.347 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.159 5.077 -7.261 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.515 3.129 -6.350 -0.52 0.01 N ATOM 0 H ASN A 178 11.392 1.893 -10.825 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.326 3.259 -9.316 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.439 2.050 -8.401 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.339 3.444 -8.965 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.258 3.574 -5.469 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.400 2.122 -6.465 -0.52 0.01 H new ATOM 289 N ILE A 179 10.081 5.712 -9.528 -0.36 0.01 N ATOM 290 CA ILE A 179 10.158 7.105 -9.932 1.00 0.01 C ATOM 291 C ILE A 179 10.600 7.974 -8.750 0.48 0.01 C ATOM 292 O ILE A 179 10.706 7.481 -7.623 -0.48 0.01 O ATOM 293 CB ILE A 179 8.798 7.584 -10.481 -0.10 0.01 C ATOM 294 CG1 ILE A 179 7.694 7.370 -9.441 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.473 6.840 -11.769 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.294 7.491 -10.007 -0.30 5.62 C ATOM 0 H ILE A 179 9.688 5.569 -8.597 -0.36 0.01 H new ATOM 0 HA ILE A 179 10.898 7.198 -10.727 1.00 0.01 H new ATOM 0 HB ILE A 179 8.858 8.651 -10.696 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 7.813 6.382 -8.996 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 7.816 8.098 -8.639 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.512 7.181 -12.154 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 9.250 7.036 -12.508 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.424 5.770 -11.569 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 5.565 7.327 -9.213 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.156 8.488 -10.427 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.152 6.745 -10.789 -0.30 5.62 H new ATOM 308 N PRO A 180 10.891 9.269 -8.987 -0.36 0.01 N ATOM 309 CA PRO A 180 11.349 10.189 -7.939 1.00 0.01 C ATOM 310 C PRO A 180 10.641 10.009 -6.598 0.48 0.01 C ATOM 311 O PRO A 180 11.218 10.289 -5.547 -0.48 0.02 O ATOM 312 CB PRO A 180 11.036 11.555 -8.537 -0.20 0.01 C ATOM 313 CG PRO A 180 11.237 11.365 -10.001 -0.20 0.02 C ATOM 314 CD PRO A 180 10.827 9.945 -10.303 0.06 0.01 C ATOM 0 HA PRO A 180 12.399 10.026 -7.695 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.015 11.865 -8.312 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 11.698 12.325 -8.140 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 10.636 12.073 -10.571 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.278 11.536 -10.276 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 9.824 9.900 -10.727 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.499 9.480 -11.024 0.06 0.01 H new ATOM 322 N GLY A 181 9.398 9.550 -6.631 -0.36 0.02 N ATOM 323 CA GLY A 181 8.659 9.357 -5.394 -0.10 0.02 C ATOM 324 C GLY A 181 7.483 8.410 -5.532 0.48 0.02 C ATOM 325 O GLY A 181 6.372 8.723 -5.105 -0.48 0.02 O ATOM 0 H GLY A 181 8.890 9.309 -7.482 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 9.337 8.973 -4.632 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 8.298 10.323 -5.042 -0.10 0.02 H new ATOM 329 N ASP A 182 7.729 7.244 -6.114 -0.36 0.02 N ATOM 330 CA ASP A 182 6.689 6.238 -6.291 1.00 0.02 C ATOM 331 C ASP A 182 7.308 4.949 -6.802 0.48 0.02 C ATOM 332 O ASP A 182 8.528 4.788 -6.755 -0.48 0.02 O ATOM 333 CB ASP A 182 5.609 6.735 -7.251 -0.45 0.02 C ATOM 334 CG ASP A 182 4.235 6.764 -6.610 0.49 0.02 C ATOM 335 OD1 ASP A 182 4.010 7.617 -5.726 -0.62 0.02 O ATOM 336 OD2 ASP A 182 3.384 5.933 -6.992 -0.62 0.02 O ATOM 0 H ASP A 182 8.644 6.970 -6.473 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.216 6.048 -5.328 1.00 0.02 H new ATOM 0 HB2 ASP A 182 5.867 7.736 -7.597 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.583 6.091 -8.130 -0.45 0.02 H new ATOM 341 N PHE A 183 6.486 4.026 -7.284 -0.36 0.02 N ATOM 342 CA PHE A 183 7.022 2.769 -7.780 1.00 0.02 C ATOM 343 C PHE A 183 6.014 1.951 -8.583 0.48 0.02 C ATOM 344 O PHE A 183 4.801 2.079 -8.423 -0.48 0.02 O ATOM 345 CB PHE A 183 7.571 1.935 -6.607 -0.16 0.02 C ATOM 346 CG PHE A 183 6.732 0.735 -6.240 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.365 0.860 -6.033 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.312 -0.518 -6.107 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.596 -0.242 -5.703 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.546 -1.621 -5.775 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.188 -1.482 -5.574 -0.15 0.02 C ATOM 0 H PHE A 183 5.472 4.120 -7.341 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.827 3.023 -8.470 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.576 1.596 -6.859 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 7.662 2.579 -5.732 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 4.896 1.828 -6.131 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.374 -0.634 -6.265 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.533 -0.132 -5.546 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.011 -2.591 -5.673 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.589 -2.343 -5.316 -0.15 0.02 H new ATOM 361 N GLU A 184 6.565 1.079 -9.417 -0.36 0.02 N ATOM 362 CA GLU A 184 5.791 0.167 -10.243 1.00 0.02 C ATOM 363 C GLU A 184 6.492 -1.184 -10.225 0.48 0.02 C ATOM 364 O GLU A 184 7.567 -1.302 -9.638 -0.48 0.02 O ATOM 365 CB GLU A 184 5.668 0.702 -11.669 -0.20 0.02 C ATOM 366 CG GLU A 184 4.953 2.041 -11.746 -0.45 0.02 C ATOM 367 CD GLU A 184 5.651 3.025 -12.663 0.49 0.02 C ATOM 368 OE1 GLU A 184 6.046 2.621 -13.778 -0.62 0.02 O ATOM 369 OE2 GLU A 184 5.803 4.200 -12.268 -0.62 0.02 O ATOM 0 H GLU A 184 7.573 0.985 -9.539 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.779 0.067 -9.851 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.664 0.804 -12.099 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 5.131 -0.025 -12.278 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 3.933 1.884 -12.097 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.883 2.469 -10.746 -0.45 0.02 H new ATOM 376 N CYS A 185 5.907 -2.208 -10.835 -0.36 0.02 N ATOM 377 CA CYS A 185 6.546 -3.521 -10.819 1.00 0.02 C ATOM 378 C CYS A 185 5.833 -4.537 -11.695 0.48 0.02 C ATOM 379 O CYS A 185 4.662 -4.379 -12.040 -0.48 0.02 O ATOM 380 CB CYS A 185 6.609 -4.043 -9.384 0.20 0.02 C ATOM 381 SG CYS A 185 7.856 -5.341 -9.115 -0.20 0.02 S ATOM 0 H CYS A 185 5.018 -2.161 -11.333 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.549 -3.392 -11.226 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.820 -3.209 -8.715 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.629 -4.433 -9.108 0.20 0.02 H new ATOM 386 N GLU A 186 6.561 -5.601 -12.028 -0.36 0.02 N ATOM 387 CA GLU A 186 6.025 -6.682 -12.839 1.00 0.02 C ATOM 388 C GLU A 186 5.007 -7.492 -12.041 0.48 0.02 C ATOM 389 O GLU A 186 4.328 -8.361 -12.587 -0.48 0.02 O ATOM 390 CB GLU A 186 7.156 -7.593 -13.317 -0.20 0.02 C ATOM 391 CG GLU A 186 7.483 -7.437 -14.793 -0.45 0.02 C ATOM 392 CD GLU A 186 7.035 -8.627 -15.619 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.007 -9.750 -15.075 -0.62 0.02 O ATOM 394 OE2 GLU A 186 6.712 -8.435 -16.810 -0.62 0.02 O ATOM 0 H GLU A 186 7.532 -5.734 -11.744 -0.36 0.02 H new ATOM 0 HA GLU A 186 5.526 -6.249 -13.706 1.00 0.02 H new ATOM 0 HB2 GLU A 186 8.051 -7.384 -12.731 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.883 -8.630 -13.122 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 7.005 -6.535 -15.174 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 8.558 -7.302 -14.911 -0.45 0.02 H new ATOM 401 N CYS A 187 4.899 -7.198 -10.744 -0.36 0.02 N ATOM 402 CA CYS A 187 3.958 -7.898 -9.888 1.00 0.02 C ATOM 403 C CYS A 187 2.534 -7.543 -10.307 0.48 0.02 C ATOM 404 O CYS A 187 2.326 -6.549 -11.000 -0.48 0.02 O ATOM 405 CB CYS A 187 4.214 -7.556 -8.418 0.20 0.02 C ATOM 406 SG CYS A 187 5.198 -8.813 -7.535 -0.20 0.02 S ATOM 0 H CYS A 187 5.451 -6.483 -10.271 -0.36 0.02 H new ATOM 0 HA CYS A 187 4.093 -8.974 -9.998 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.730 -6.597 -8.361 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.257 -7.433 -7.910 0.20 0.02 H new ATOM 411 N PRO A 188 1.544 -8.377 -9.944 -0.36 0.02 N ATOM 412 CA PRO A 188 0.139 -8.176 -10.332 1.00 0.02 C ATOM 413 C PRO A 188 -0.451 -6.818 -9.950 0.48 0.02 C ATOM 414 O PRO A 188 -1.463 -6.753 -9.253 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.595 -9.301 -9.599 -0.20 0.02 C ATOM 416 CG PRO A 188 0.435 -10.357 -9.425 -0.20 0.02 C ATOM 417 CD PRO A 188 1.716 -9.619 -9.171 0.06 0.02 C ATOM 0 HA PRO A 188 0.041 -8.194 -11.417 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -0.984 -8.963 -8.639 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.444 -9.665 -10.177 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.188 -11.015 -8.592 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.511 -10.983 -10.314 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 1.861 -9.417 -8.110 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.583 -10.187 -9.509 0.06 0.02 H new ATOM 425 N GLU A 189 0.152 -5.734 -10.440 -0.36 0.02 N ATOM 426 CA GLU A 189 -0.356 -4.384 -10.180 1.00 0.02 C ATOM 427 C GLU A 189 -0.254 -4.012 -8.739 0.48 0.02 C ATOM 428 O GLU A 189 -1.100 -4.381 -7.923 -0.48 0.02 O ATOM 429 CB GLU A 189 -1.808 -4.277 -10.579 -0.20 0.02 C ATOM 430 CG GLU A 189 -2.180 -5.312 -11.589 -0.45 0.02 C ATOM 431 CD GLU A 189 -3.260 -4.857 -12.550 0.49 0.02 C ATOM 432 OE1 GLU A 189 -2.962 -4.015 -13.423 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -4.405 -5.343 -12.431 -0.62 0.02 O ATOM 0 H GLU A 189 0.992 -5.763 -11.018 -0.36 0.02 H new ATOM 0 HA GLU A 189 0.260 -3.707 -10.771 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.437 -4.387 -9.696 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.001 -3.285 -10.986 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -1.292 -5.590 -12.157 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -2.520 -6.209 -11.071 -0.45 0.02 H new ATOM 440 N GLY A 190 0.771 -3.280 -8.423 -0.36 0.02 N ATOM 441 CA GLY A 190 0.958 -2.862 -7.066 -0.10 0.02 C ATOM 442 C GLY A 190 1.445 -3.986 -6.192 0.48 0.02 C ATOM 443 O GLY A 190 2.077 -3.738 -5.176 -0.48 0.02 O ATOM 0 H GLY A 190 1.485 -2.962 -9.079 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.675 -2.042 -7.035 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.017 -2.478 -6.672 -0.10 0.02 H new ATOM 447 N TYR A 191 1.196 -5.238 -6.585 -0.36 0.02 N ATOM 448 CA TYR A 191 1.672 -6.348 -5.782 1.00 0.02 C ATOM 449 C TYR A 191 3.166 -6.197 -5.546 0.48 0.02 C ATOM 450 O TYR A 191 3.929 -5.879 -6.454 -0.48 0.02 O ATOM 451 CB TYR A 191 1.361 -7.680 -6.463 -0.20 0.02 C ATOM 452 CG TYR A 191 -0.040 -8.184 -6.209 1.00 0.02 C ATOM 453 CD1 TYR A 191 -1.147 -7.456 -6.627 -0.14 0.02 C ATOM 454 CD2 TYR A 191 -0.256 -9.389 -5.554 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.430 -7.915 -6.400 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.536 -9.856 -5.323 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.619 -9.116 -5.747 0.20 0.02 C ATOM 458 OH TYR A 191 -3.895 -9.577 -5.519 -0.60 0.02 O ATOM 0 H TYR A 191 0.683 -5.496 -7.428 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.158 -6.340 -4.821 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.508 -7.571 -7.537 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.074 -8.429 -6.118 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -1.002 -6.516 -7.138 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 0.590 -9.971 -5.220 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.280 -7.337 -6.732 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.687 -10.796 -4.813 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.853 -10.436 -5.050 -0.60 0.02 H new ATOM 468 N ARG A 192 3.559 -6.383 -4.306 -0.36 0.02 N ATOM 469 CA ARG A 192 4.962 -6.231 -3.910 1.00 0.02 C ATOM 470 C ARG A 192 5.720 -7.554 -4.018 0.48 0.02 C ATOM 471 O ARG A 192 5.180 -8.615 -3.725 -0.48 0.02 O ATOM 472 CB ARG A 192 5.051 -5.705 -2.474 -0.20 0.02 C ATOM 473 CG ARG A 192 5.305 -4.209 -2.384 -0.20 0.02 C ATOM 474 CD ARG A 192 5.263 -3.722 -0.944 -0.10 0.02 C ATOM 475 NE ARG A 192 6.194 -4.453 -0.087 -0.60 0.02 N ATOM 476 CZ ARG A 192 6.420 -4.149 1.190 0.60 0.02 C ATOM 477 NH1 ARG A 192 5.797 -3.123 1.756 -0.60 0.02 N ATOM 478 NH2 ARG A 192 7.273 -4.873 1.903 -0.60 0.02 N ATOM 0 H ARG A 192 2.932 -6.641 -3.544 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.423 -5.516 -4.592 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.122 -5.939 -1.953 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 5.850 -6.232 -1.953 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.277 -3.977 -2.819 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.557 -3.676 -2.971 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 5.503 -2.659 -0.915 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.251 -3.831 -0.555 -0.10 0.02 H new ATOM 0 HE ARG A 192 6.700 -5.242 -0.490 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 5.141 -2.562 1.213 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 5.974 -2.895 2.734 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 7.756 -5.662 1.473 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 7.446 -4.640 2.881 -0.60 0.02 H new ATOM 492 N TYR A 193 6.975 -7.468 -4.456 -0.36 0.02 N ATOM 493 CA TYR A 193 7.838 -8.629 -4.638 1.00 0.02 C ATOM 494 C TYR A 193 8.995 -8.625 -3.647 0.48 0.02 C ATOM 495 O TYR A 193 9.391 -7.579 -3.134 -0.48 0.02 O ATOM 496 CB TYR A 193 8.395 -8.585 -6.052 -0.20 0.02 C ATOM 497 CG TYR A 193 9.127 -9.826 -6.455 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.449 -10.899 -6.999 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.497 -9.914 -6.300 -0.14 0.02 C ATOM 500 CE1 TYR A 193 9.119 -12.039 -7.383 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.183 -11.046 -6.685 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.490 -12.110 -7.227 0.20 0.02 C ATOM 503 OH TYR A 193 11.170 -13.236 -7.628 -0.60 0.02 O ATOM 0 H TYR A 193 7.423 -6.583 -4.696 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.254 -9.534 -4.469 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.575 -8.416 -6.750 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.069 -7.733 -6.140 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.378 -10.843 -7.125 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.038 -9.084 -5.871 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.576 -12.873 -7.804 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.255 -11.100 -6.564 -0.14 0.02 H new ATOM 0 HH TYR A 193 10.536 -13.972 -7.757 -0.60 0.02 H new ATOM 513 N ASN A 194 9.532 -9.809 -3.388 -0.36 0.02 N ATOM 514 CA ASN A 194 10.646 -9.960 -2.464 1.00 0.02 C ATOM 515 C ASN A 194 11.755 -10.803 -3.082 0.48 0.02 C ATOM 516 O ASN A 194 11.536 -11.960 -3.438 -0.48 0.02 O ATOM 517 CB ASN A 194 10.165 -10.613 -1.170 -0.20 0.02 C ATOM 518 CG ASN A 194 10.507 -9.791 0.057 0.48 0.02 C ATOM 519 OD1 ASN A 194 10.681 -8.575 -0.025 -0.48 0.02 O ATOM 520 ND2 ASN A 194 10.604 -10.452 1.205 -0.52 0.02 N ATOM 0 H ASN A 194 9.212 -10.682 -3.807 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.045 -8.969 -2.246 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.085 -10.756 -1.218 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.614 -11.602 -1.077 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 10.831 -9.951 2.064 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 10.452 -11.460 1.227 -0.52 0.02 H new ATOM 527 N LEU A 195 12.947 -10.225 -3.197 -0.36 0.02 N ATOM 528 CA LEU A 195 14.086 -10.940 -3.760 1.00 0.02 C ATOM 529 C LEU A 195 14.563 -12.027 -2.799 0.48 0.02 C ATOM 530 O LEU A 195 15.261 -12.960 -3.196 -0.48 0.02 O ATOM 531 CB LEU A 195 15.230 -9.969 -4.060 -0.20 0.02 C ATOM 532 CG LEU A 195 16.510 -10.619 -4.588 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.142 -9.756 -5.670 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.494 -10.858 -3.452 -0.30 0.02 C ATOM 0 H LEU A 195 13.148 -9.267 -2.909 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.769 -11.410 -4.691 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.884 -9.238 -4.791 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.469 -9.420 -3.149 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.250 -11.582 -5.027 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 18.051 -10.235 -6.033 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.441 -9.636 -6.496 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.388 -8.777 -5.258 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.399 -11.321 -3.846 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.747 -9.907 -2.984 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 17.042 -11.518 -2.712 -0.30 0.02 H new ATOM 546 N LYS A 196 14.167 -11.903 -1.534 -0.36 0.02 N ATOM 547 CA LYS A 196 14.532 -12.872 -0.515 1.00 0.02 C ATOM 548 C LYS A 196 13.924 -14.220 -0.843 0.48 0.02 C ATOM 549 O LYS A 196 14.582 -15.258 -0.766 -0.48 0.02 O ATOM 550 CB LYS A 196 14.030 -12.400 0.846 -0.20 0.02 C ATOM 551 CG LYS A 196 15.110 -11.787 1.705 -0.20 0.02 C ATOM 552 CD LYS A 196 15.448 -10.373 1.258 -0.20 0.02 C ATOM 553 CE LYS A 196 14.774 -9.334 2.139 0.30 5.02 C ATOM 554 NZ LYS A 196 14.956 -7.954 1.611 -0.81 0.02 N ATOM 0 H LYS A 196 13.590 -11.134 -1.193 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.617 -12.968 -0.486 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.235 -11.669 0.698 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.591 -13.245 1.376 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 14.783 -11.772 2.745 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.006 -12.407 1.661 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 16.528 -10.230 1.286 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 15.135 -10.233 0.223 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 13.710 -9.557 2.213 0.30 5.02 H new ATOM 0 HE3 LYS A 196 15.183 -9.393 3.148 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 15.623 -7.435 2.218 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 15.333 -8.000 0.643 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 14.040 -7.462 1.603 -0.81 0.02 H new ATOM 568 N SER A 197 12.657 -14.183 -1.220 -0.36 0.02 N ATOM 569 CA SER A 197 11.927 -15.386 -1.581 1.00 0.02 C ATOM 570 C SER A 197 11.756 -15.474 -3.094 0.48 0.02 C ATOM 571 O SER A 197 11.259 -16.472 -3.610 -0.48 0.02 O ATOM 572 CB SER A 197 10.560 -15.408 -0.894 0.08 0.02 C ATOM 573 OG SER A 197 10.691 -15.655 0.495 -0.68 0.02 O ATOM 0 H SER A 197 12.109 -13.325 -1.284 -0.36 0.02 H new ATOM 0 HA SER A 197 12.501 -16.249 -1.245 1.00 0.02 H new ATOM 0 HB2 SER A 197 10.055 -14.455 -1.051 0.08 0.02 H new ATOM 0 HB3 SER A 197 9.935 -16.178 -1.346 0.08 0.02 H new ATOM 0 HG SER A 197 9.804 -15.662 0.911 -0.68 0.02 H new ATOM 579 N LYS A 198 12.121 -14.392 -3.789 -0.36 0.02 N ATOM 580 CA LYS A 198 11.978 -14.307 -5.244 1.00 0.02 C ATOM 581 C LYS A 198 10.560 -14.685 -5.636 0.48 0.02 C ATOM 582 O LYS A 198 10.314 -15.354 -6.640 -0.48 0.02 O ATOM 583 CB LYS A 198 13.000 -15.183 -5.981 -0.20 0.02 C ATOM 584 CG LYS A 198 13.839 -16.052 -5.067 -0.20 0.02 C ATOM 585 CD LYS A 198 13.194 -17.410 -4.868 -0.20 0.02 C ATOM 586 CE LYS A 198 13.973 -18.515 -5.565 0.30 5.02 C ATOM 587 NZ LYS A 198 13.081 -19.407 -6.356 -0.81 0.02 N ATOM 0 H LYS A 198 12.521 -13.557 -3.362 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.177 -13.278 -5.543 1.00 0.02 H new ATOM 0 HB2 LYS A 198 12.472 -15.822 -6.689 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 13.661 -14.541 -6.563 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.835 -16.177 -5.491 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.963 -15.559 -4.103 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 13.129 -17.628 -3.802 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 12.174 -17.387 -5.252 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 14.721 -18.073 -6.223 0.30 5.02 H new ATOM 0 HE3 LYS A 198 14.511 -19.105 -4.822 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 13.649 -20.147 -6.816 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 12.383 -19.849 -5.724 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 12.587 -18.849 -7.081 -0.81 0.02 H new ATOM 601 N SER A 199 9.645 -14.229 -4.809 -0.36 0.02 N ATOM 602 CA SER A 199 8.227 -14.476 -5.003 1.00 0.02 C ATOM 603 C SER A 199 7.455 -13.171 -4.955 0.48 0.02 C ATOM 604 O SER A 199 7.934 -12.179 -4.405 -0.48 0.02 O ATOM 605 CB SER A 199 7.701 -15.436 -3.935 0.08 0.02 C ATOM 606 OG SER A 199 8.246 -16.733 -4.101 -0.68 0.02 O ATOM 0 H SER A 199 9.860 -13.675 -3.980 -0.36 0.02 H new ATOM 0 HA SER A 199 8.087 -14.933 -5.983 1.00 0.02 H new ATOM 0 HB2 SER A 199 7.953 -15.056 -2.945 0.08 0.02 H new ATOM 0 HB3 SER A 199 6.614 -15.485 -3.990 0.08 0.02 H new ATOM 0 HG SER A 199 9.212 -16.705 -3.939 -0.68 0.02 H new ATOM 612 N CYS A 200 6.250 -13.175 -5.506 -0.36 0.02 N ATOM 613 CA CYS A 200 5.421 -11.987 -5.489 1.00 0.02 C ATOM 614 C CYS A 200 4.350 -12.138 -4.419 0.48 0.02 C ATOM 615 O CYS A 200 3.768 -13.212 -4.266 -0.48 0.02 O ATOM 616 CB CYS A 200 4.774 -11.745 -6.850 0.20 0.02 C ATOM 617 SG CYS A 200 3.833 -10.191 -6.939 -0.20 0.02 S ATOM 0 H CYS A 200 5.830 -13.983 -5.966 -0.36 0.02 H new ATOM 0 HA CYS A 200 6.050 -11.126 -5.262 1.00 0.02 H new ATOM 0 HB2 CYS A 200 5.550 -11.735 -7.616 0.20 0.02 H new ATOM 0 HB3 CYS A 200 4.109 -12.577 -7.081 0.20 0.02 H new ATOM 622 N GLU A 201 4.085 -11.071 -3.680 -0.36 0.02 N ATOM 623 CA GLU A 201 3.078 -11.112 -2.633 1.00 0.02 C ATOM 624 C GLU A 201 2.391 -9.761 -2.466 0.48 0.02 C ATOM 625 O GLU A 201 3.059 -8.743 -2.293 -0.48 0.02 O ATOM 626 CB GLU A 201 3.711 -11.541 -1.308 -0.20 0.02 C ATOM 627 CG GLU A 201 4.182 -12.986 -1.298 -0.45 0.02 C ATOM 628 CD GLU A 201 4.870 -13.366 -0.001 0.49 0.02 C ATOM 629 OE1 GLU A 201 6.096 -13.154 0.105 -0.62 0.02 O ATOM 630 OE2 GLU A 201 4.182 -13.874 0.909 -0.62 0.02 O ATOM 0 H GLU A 201 4.552 -10.170 -3.786 -0.36 0.02 H new ATOM 0 HA GLU A 201 2.323 -11.841 -2.927 1.00 0.02 H new ATOM 0 HB2 GLU A 201 4.558 -10.890 -1.092 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 2.987 -11.398 -0.506 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 3.328 -13.644 -1.458 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 4.868 -13.146 -2.130 -0.45 0.02 H new ATOM 637 N ASP A 202 1.055 -9.775 -2.516 -0.36 0.02 N ATOM 638 CA ASP A 202 0.225 -8.582 -2.361 1.00 0.02 C ATOM 639 C ASP A 202 0.977 -7.450 -1.677 0.48 0.02 C ATOM 640 O ASP A 202 1.822 -7.668 -0.808 -0.48 0.02 O ATOM 641 CB ASP A 202 -1.037 -8.919 -1.561 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.854 -7.688 -1.214 0.49 0.02 C ATOM 643 OD1 ASP A 202 -2.302 -6.990 -2.148 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -2.044 -7.421 -0.008 -0.62 0.02 O ATOM 0 H ASP A 202 0.516 -10.627 -2.667 -0.36 0.02 H new ATOM 0 HA ASP A 202 -0.050 -8.245 -3.360 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -1.654 -9.610 -2.136 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -0.754 -9.433 -0.643 -0.45 0.02 H new ATOM 649 N ILE A 203 0.660 -6.246 -2.092 -0.36 0.02 N ATOM 650 CA ILE A 203 1.293 -5.059 -1.565 1.00 0.02 C ATOM 651 C ILE A 203 0.729 -4.647 -0.206 0.48 0.02 C ATOM 652 O ILE A 203 -0.347 -5.096 0.207 -0.48 0.02 O ATOM 653 CB ILE A 203 1.138 -3.921 -2.574 -0.10 0.02 C ATOM 654 CG1 ILE A 203 2.018 -2.732 -2.221 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.310 -3.510 -2.683 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.427 -1.950 -3.439 -0.30 0.02 C ATOM 0 H ILE A 203 -0.045 -6.061 -2.806 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.348 -5.282 -1.408 1.00 0.02 H new ATOM 0 HB ILE A 203 1.469 -4.288 -3.545 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.483 -2.077 -1.533 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.909 -3.083 -1.700 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.405 -2.699 -3.405 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.906 -4.361 -3.013 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.667 -3.173 -1.710 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 3.054 -1.111 -3.139 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.986 -2.597 -4.116 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.538 -1.575 -3.946 -0.30 0.02 H new ATOM 668 N ASP A 204 1.472 -3.763 0.457 -0.36 0.02 N ATOM 669 CA ASP A 204 1.095 -3.235 1.761 1.00 0.02 C ATOM 670 C ASP A 204 0.593 -1.800 1.627 0.48 0.02 C ATOM 671 O ASP A 204 1.137 -0.874 2.229 -0.48 0.02 O ATOM 672 CB ASP A 204 2.287 -3.299 2.720 -0.45 0.02 C ATOM 673 CG ASP A 204 2.154 -4.417 3.734 0.49 0.02 C ATOM 674 OD1 ASP A 204 1.038 -4.612 4.260 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.166 -5.099 4.003 -0.62 0.02 O ATOM 0 H ASP A 204 2.354 -3.394 0.102 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.288 -3.845 2.167 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.204 -3.439 2.147 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.380 -2.347 3.243 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.448 -1.630 0.822 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.045 -0.326 0.579 1.00 0.02 C ATOM 682 C GLU A 205 -1.435 0.380 1.876 0.48 0.02 C ATOM 683 O GLU A 205 -1.216 1.578 2.024 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.272 -0.480 -0.311 -0.20 0.02 C ATOM 685 CG GLU A 205 -1.928 -0.792 -1.757 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.735 -1.946 -2.316 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.829 -2.996 -1.639 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.271 -1.800 -3.432 -0.62 0.02 O ATOM 0 H GLU A 205 -0.901 -2.393 0.320 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.296 0.290 0.081 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -2.903 -1.276 0.085 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -2.857 0.439 -0.274 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.101 0.095 -2.366 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -0.866 -1.028 -1.831 -0.45 0.02 H new ATOM 695 N CYS A 206 -2.014 -0.365 2.812 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.434 0.211 4.087 1.00 0.02 C ATOM 697 C CYS A 206 -1.247 0.364 5.037 0.48 0.02 C ATOM 698 O CYS A 206 -1.185 1.311 5.821 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.544 -0.646 4.720 0.20 0.02 C ATOM 700 SG CYS A 206 -3.225 -1.202 6.432 -0.20 0.02 S ATOM 0 H CYS A 206 -2.203 -1.363 2.714 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.835 1.207 3.899 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.472 -0.074 4.709 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -3.703 -1.524 4.094 0.20 0.02 H new ATOM 705 N SER A 207 -0.312 -0.574 4.964 -0.36 0.02 N ATOM 706 CA SER A 207 0.868 -0.542 5.821 1.00 0.02 C ATOM 707 C SER A 207 1.650 0.748 5.606 0.48 0.02 C ATOM 708 O SER A 207 2.409 1.182 6.473 -0.48 0.02 O ATOM 709 CB SER A 207 1.762 -1.753 5.547 0.08 0.02 C ATOM 710 OG SER A 207 2.181 -2.361 6.756 -0.68 0.02 O ATOM 0 H SER A 207 -0.347 -1.366 4.322 -0.36 0.02 H new ATOM 0 HA SER A 207 0.538 -0.580 6.859 1.00 0.02 H new ATOM 0 HB2 SER A 207 1.221 -2.479 4.940 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.634 -1.443 4.971 0.08 0.02 H new ATOM 0 HG SER A 207 2.750 -3.133 6.554 -0.68 0.02 H new ATOM 716 N GLU A 208 1.479 1.340 4.430 -0.36 0.02 N ATOM 717 CA GLU A 208 2.181 2.562 4.071 1.00 0.02 C ATOM 718 C GLU A 208 1.547 3.787 4.721 0.48 0.02 C ATOM 719 O GLU A 208 2.167 4.847 4.792 -0.48 0.02 O ATOM 720 CB GLU A 208 2.164 2.714 2.555 -0.20 0.02 C ATOM 721 CG GLU A 208 3.249 1.917 1.859 -0.45 0.02 C ATOM 722 CD GLU A 208 3.636 2.503 0.516 0.49 0.02 C ATOM 723 OE1 GLU A 208 3.872 3.727 0.448 -0.62 0.02 O ATOM 724 OE2 GLU A 208 3.703 1.737 -0.469 -0.62 0.02 O ATOM 0 H GLU A 208 0.854 0.988 3.705 -0.36 0.02 H new ATOM 0 HA GLU A 208 3.206 2.491 4.434 1.00 0.02 H new ATOM 0 HB2 GLU A 208 1.192 2.398 2.176 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 2.278 3.768 2.301 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 4.130 1.874 2.499 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.907 0.892 1.718 -0.45 0.02 H new ATOM 731 N ASN A 209 0.315 3.632 5.203 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.412 4.719 5.867 1.00 0.02 C ATOM 733 C ASN A 209 -1.134 5.614 4.863 0.48 0.02 C ATOM 734 O ASN A 209 -0.846 6.807 4.757 -0.48 0.02 O ATOM 735 CB ASN A 209 0.523 5.562 6.744 -0.20 0.02 C ATOM 736 CG ASN A 209 1.499 4.715 7.538 0.48 0.02 C ATOM 737 OD1 ASN A 209 1.195 3.582 7.911 -0.48 0.02 O ATOM 738 ND2 ASN A 209 2.680 5.262 7.801 -0.52 0.02 N ATOM 0 H ASN A 209 -0.206 2.757 5.146 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.161 4.251 6.506 1.00 0.02 H new ATOM 0 HB2 ASN A 209 1.079 6.256 6.113 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.073 6.163 7.431 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 3.377 4.740 8.332 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 2.890 6.204 7.472 -0.52 0.02 H new ATOM 745 N MET A 210 -2.090 5.034 4.146 -0.36 0.02 N ATOM 746 CA MET A 210 -2.878 5.782 3.168 1.00 0.02 C ATOM 747 C MET A 210 -4.355 5.504 3.350 0.48 0.02 C ATOM 748 O MET A 210 -5.141 5.591 2.407 -0.48 0.02 O ATOM 749 CB MET A 210 -2.447 5.471 1.727 -0.20 0.02 C ATOM 750 CG MET A 210 -1.806 4.103 1.543 -0.11 5.02 C ATOM 751 SD MET A 210 -0.164 4.196 0.802 -0.17 0.02 S ATOM 752 CE MET A 210 -0.560 3.960 -0.928 -0.21 5.02 C ATOM 0 H MET A 210 -2.340 4.048 4.222 -0.36 0.02 H new ATOM 0 HA MET A 210 -2.694 6.842 3.344 1.00 0.02 H new ATOM 0 HB2 MET A 210 -3.319 5.540 1.077 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -1.743 6.236 1.398 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.736 3.606 2.511 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.449 3.487 0.915 -0.11 5.02 H new ATOM 0 HE1 MET A 210 0.356 3.992 -1.518 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.044 2.993 -1.062 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -1.233 4.751 -1.259 -0.21 5.02 H new ATOM 762 N CYS A 211 -4.727 5.187 4.580 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.106 4.917 4.910 1.00 0.02 C ATOM 764 C CYS A 211 -6.433 5.497 6.269 0.48 0.02 C ATOM 765 O CYS A 211 -5.533 5.798 7.053 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.362 3.415 4.895 0.20 0.02 C ATOM 767 SG CYS A 211 -6.617 2.718 3.236 -0.20 0.02 S ATOM 0 H CYS A 211 -4.083 5.112 5.368 -0.36 0.02 H new ATOM 0 HA CYS A 211 -6.750 5.386 4.166 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.517 2.909 5.363 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.240 3.201 5.505 0.20 0.02 H new ATOM 772 N ALA A 212 -7.714 5.676 6.545 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.123 6.245 7.806 1.00 0.02 C ATOM 774 C ALA A 212 -7.748 5.325 8.979 0.48 0.02 C ATOM 775 O ALA A 212 -6.691 4.696 8.963 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.616 6.557 7.781 -0.30 0.02 C ATOM 0 H ALA A 212 -8.479 5.436 5.915 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.587 7.182 7.957 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.914 6.986 8.738 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.826 7.269 6.983 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.177 5.639 7.605 -0.30 0.02 H new ATOM 782 N GLN A 213 -8.605 5.263 10.000 -0.36 0.02 N ATOM 783 CA GLN A 213 -8.344 4.436 11.178 1.00 0.02 C ATOM 784 C GLN A 213 -8.192 2.956 10.826 0.48 0.02 C ATOM 785 O GLN A 213 -7.242 2.305 11.259 -0.48 0.02 O ATOM 786 CB GLN A 213 -9.461 4.610 12.209 -0.20 0.02 C ATOM 787 CG GLN A 213 -8.997 4.420 13.644 -0.20 0.02 C ATOM 788 CD GLN A 213 -8.094 5.542 14.118 0.48 0.02 C ATOM 789 OE1 GLN A 213 -8.301 6.707 13.778 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -7.084 5.196 14.908 -0.52 0.02 N ATOM 0 H GLN A 213 -9.486 5.776 10.034 -0.36 0.02 H new ATOM 0 HA GLN A 213 -7.398 4.774 11.601 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -9.890 5.606 12.103 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -10.256 3.896 11.995 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -9.867 4.358 14.298 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -8.466 3.472 13.728 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -6.949 4.218 15.165 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -6.443 5.908 15.258 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.128 2.428 10.046 -0.36 0.02 N ATOM 800 CA LEU A 214 -9.083 1.023 9.652 1.00 0.02 C ATOM 801 C LEU A 214 -8.645 0.887 8.203 0.48 0.02 C ATOM 802 O LEU A 214 -9.344 1.314 7.305 -0.48 0.02 O ATOM 803 CB LEU A 214 -10.457 0.378 9.842 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.618 -0.443 11.121 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.877 -1.767 11.001 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.126 0.342 12.330 -0.30 0.02 C ATOM 0 H LEU A 214 -9.924 2.947 9.675 -0.36 0.02 H new ATOM 0 HA LEU A 214 -8.358 0.512 10.285 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -11.213 1.163 9.835 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -10.659 -0.267 8.987 -0.20 0.02 H new ATOM 0 HG LEU A 214 -11.678 -0.655 11.262 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -10.002 -2.339 11.921 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -10.280 -2.335 10.163 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.817 -1.577 10.834 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -10.250 -0.261 13.230 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -9.072 0.588 12.200 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -10.704 1.261 12.427 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.470 0.333 7.969 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.962 0.201 6.614 1.00 0.02 C ATOM 820 C CYS A 215 -6.923 -1.257 6.168 0.48 0.02 C ATOM 821 O CYS A 215 -5.878 -1.900 6.215 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.564 0.831 6.555 0.20 0.02 C ATOM 823 SG CYS A 215 -4.321 0.029 7.631 -0.20 0.02 S ATOM 0 H CYS A 215 -6.852 -0.031 8.694 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.632 0.719 5.928 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.209 0.799 5.525 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.642 1.882 6.833 0.20 0.02 H new ATOM 828 N VAL A 216 -8.058 -1.782 5.702 -0.36 0.02 N ATOM 829 CA VAL A 216 -8.063 -3.160 5.229 1.00 0.02 C ATOM 830 C VAL A 216 -7.584 -3.209 3.799 0.48 0.02 C ATOM 831 O VAL A 216 -8.370 -3.047 2.866 -0.48 0.02 O ATOM 832 CB VAL A 216 -9.409 -3.907 5.287 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -9.223 -5.353 4.837 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -10.013 -3.849 6.681 -0.30 0.02 C ATOM 0 H VAL A 216 -8.951 -1.293 5.644 -0.36 0.02 H new ATOM 0 HA VAL A 216 -7.402 -3.672 5.929 1.00 0.02 H new ATOM 0 HB VAL A 216 -10.104 -3.414 4.608 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -10.180 -5.874 4.881 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.847 -5.370 3.814 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -8.509 -5.850 5.494 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -10.962 -4.385 6.689 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -9.329 -4.311 7.393 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -10.181 -2.809 6.962 -0.30 0.02 H new ATOM 844 N ASN A 217 -6.306 -3.447 3.627 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.757 -3.529 2.296 1.00 0.02 C ATOM 846 C ASN A 217 -5.879 -4.957 1.778 0.48 0.02 C ATOM 847 O ASN A 217 -5.114 -5.823 2.202 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.297 -3.075 2.272 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.593 -3.490 0.998 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.223 -3.644 -0.048 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.284 -3.666 1.076 -0.52 0.02 N ATOM 0 H ASN A 217 -5.634 -3.586 4.382 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.323 -2.861 1.646 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.253 -1.991 2.373 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.772 -3.497 3.129 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.756 -3.941 0.248 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.803 -3.527 1.965 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.843 -5.238 0.887 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.991 -6.602 0.406 1.00 0.02 C ATOM 860 C TYR A 218 -6.082 -6.868 -0.774 0.48 0.02 C ATOM 861 O TYR A 218 -5.489 -5.943 -1.342 -0.48 0.02 O ATOM 862 CB TYR A 218 -8.460 -6.938 0.076 -0.20 0.02 C ATOM 863 CG TYR A 218 -9.197 -5.961 -0.822 1.00 0.02 C ATOM 864 CD1 TYR A 218 -9.058 -6.007 -2.207 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -10.074 -5.026 -0.283 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.771 -5.147 -3.025 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.783 -4.157 -1.094 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.630 -4.224 -2.464 0.20 0.02 C ATOM 869 OH TYR A 218 -11.340 -3.368 -3.274 -0.60 0.02 O ATOM 0 H TYR A 218 -7.503 -4.562 0.503 -0.36 0.02 H new ATOM 0 HA TYR A 218 -6.686 -7.266 1.215 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -8.487 -7.920 -0.395 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -9.010 -7.019 1.014 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -8.383 -6.725 -2.650 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -10.204 -4.977 0.788 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.655 -5.198 -4.098 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.452 -3.431 -0.657 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.899 -2.783 -2.721 -0.60 0.02 H new ATOM 879 N PRO A 219 -5.912 -8.148 -1.136 -0.36 0.02 N ATOM 880 CA PRO A 219 -5.039 -8.523 -2.227 1.00 0.02 C ATOM 881 C PRO A 219 -5.292 -7.683 -3.473 0.48 0.02 C ATOM 882 O PRO A 219 -6.188 -7.980 -4.264 -0.48 0.02 O ATOM 883 CB PRO A 219 -5.364 -10.004 -2.487 -0.20 0.02 C ATOM 884 CG PRO A 219 -6.543 -10.319 -1.623 -0.20 0.02 C ATOM 885 CD PRO A 219 -6.508 -9.330 -0.497 0.06 0.02 C ATOM 0 HA PRO A 219 -3.990 -8.360 -1.978 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -5.593 -10.175 -3.539 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -4.515 -10.640 -2.238 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -7.472 -10.236 -2.186 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -6.489 -11.341 -1.247 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -7.504 -9.122 -0.107 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -5.907 -9.687 0.339 0.06 0.02 H new ATOM 893 N GLY A 220 -4.493 -6.636 -3.645 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.639 -5.775 -4.797 -0.10 0.02 C ATOM 895 C GLY A 220 -5.218 -4.417 -4.454 0.48 0.02 C ATOM 896 O GLY A 220 -4.518 -3.410 -4.499 -0.48 0.02 O ATOM 0 H GLY A 220 -3.746 -6.370 -3.004 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.665 -5.640 -5.268 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -5.282 -6.263 -5.529 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.505 -4.389 -4.133 -0.36 0.02 N ATOM 901 CA GLY A 221 -7.165 -3.135 -3.807 -0.10 0.02 C ATOM 902 C GLY A 221 -7.388 -2.911 -2.326 0.48 0.02 C ATOM 903 O GLY A 221 -8.183 -3.604 -1.693 -0.48 0.02 O ATOM 0 H GLY A 221 -7.106 -5.212 -4.092 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.569 -2.312 -4.201 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -8.128 -3.103 -4.316 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.666 -1.984 -1.731 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.824 -1.755 -0.313 1.00 0.02 C ATOM 909 C TYR A 222 -8.161 -1.094 0.022 0.48 0.02 C ATOM 910 O TYR A 222 -8.964 -0.805 -0.865 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.675 -0.919 0.230 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.510 0.399 -0.479 1.00 0.02 C ATOM 913 CD1 TYR A 222 -4.835 0.475 -1.683 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.024 1.561 0.062 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -4.673 1.681 -2.336 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -5.869 2.777 -0.578 -0.14 0.02 C ATOM 917 CZ TYR A 222 -5.190 2.831 -1.777 0.20 0.02 C ATOM 918 OH TYR A 222 -5.031 4.037 -2.421 -0.60 0.02 O ATOM 0 H TYR A 222 -5.979 -1.390 -2.196 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.812 -2.733 0.168 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.839 -0.734 1.292 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.749 -1.488 0.145 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.427 -0.424 -2.121 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -6.556 1.519 1.001 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -4.145 1.723 -3.277 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -6.277 3.677 -0.142 -0.14 0.02 H new ATOM 0 HH TYR A 222 -5.455 4.747 -1.895 -0.60 0.02 H new ATOM 928 N THR A 223 -8.390 -0.860 1.318 -0.36 0.02 N ATOM 929 CA THR A 223 -9.627 -0.236 1.783 1.00 0.02 C ATOM 930 C THR A 223 -9.408 0.550 3.062 0.48 0.02 C ATOM 931 O THR A 223 -8.608 0.164 3.914 -0.48 0.02 O ATOM 932 CB THR A 223 -10.709 -1.284 2.026 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.880 -2.101 0.885 -0.68 0.02 O ATOM 934 CG2 THR A 223 -12.050 -0.665 2.360 -0.30 0.02 C ATOM 0 H THR A 223 -7.733 -1.094 2.062 -0.36 0.02 H new ATOM 0 HA THR A 223 -9.950 0.448 0.998 1.00 0.02 H new ATOM 0 HB THR A 223 -10.370 -1.875 2.877 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.293 -2.883 0.952 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.784 -1.454 2.524 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.958 -0.062 3.263 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.375 -0.033 1.534 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.116 1.667 3.181 -0.36 0.02 N ATOM 943 CA CYS A 224 -9.981 2.517 4.351 1.00 0.02 C ATOM 944 C CYS A 224 -11.321 2.785 5.042 0.48 0.02 C ATOM 945 O CYS A 224 -12.120 3.607 4.596 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.333 3.845 3.960 0.20 0.02 C ATOM 947 SG CYS A 224 -8.208 3.750 2.526 -0.20 0.02 S ATOM 0 H CYS A 224 -10.784 2.001 2.486 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.348 1.984 5.060 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.120 4.567 3.741 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -8.778 4.229 4.816 0.20 0.02 H new ATOM 952 N TYR A 225 -11.517 2.120 6.170 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.702 2.291 6.997 1.00 0.02 C ATOM 954 C TYR A 225 -12.298 3.096 8.221 0.48 0.02 C ATOM 955 O TYR A 225 -11.416 3.949 8.134 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.277 0.940 7.444 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.980 -0.183 6.503 1.00 0.02 C ATOM 958 CD1 TYR A 225 -11.686 -0.647 6.350 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -13.988 -0.764 5.749 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -11.408 -1.655 5.475 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -13.714 -1.788 4.869 -0.14 0.02 C ATOM 962 CZ TYR A 225 -12.418 -2.232 4.734 0.20 0.02 C ATOM 963 OH TYR A 225 -12.130 -3.250 3.853 -0.60 0.02 O ATOM 0 H TYR A 225 -10.853 1.441 6.541 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.473 2.802 6.420 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -12.877 0.693 8.427 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -14.357 1.034 7.554 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -10.888 -0.207 6.929 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -15.003 -0.409 5.853 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -10.392 -2.003 5.362 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -14.508 -2.238 4.291 -0.14 0.02 H new ATOM 0 HH TYR A 225 -12.954 -3.544 3.413 -0.60 0.02 H new ATOM 973 N CYS A 226 -12.884 2.803 9.375 -0.36 0.02 N ATOM 974 CA CYS A 226 -12.491 3.508 10.571 1.00 0.02 C ATOM 975 C CYS A 226 -12.861 2.761 11.836 0.48 0.02 C ATOM 976 O CYS A 226 -11.997 2.212 12.516 -0.48 0.02 O ATOM 977 CB CYS A 226 -13.108 4.881 10.616 0.20 0.02 C ATOM 978 SG CYS A 226 -11.900 6.247 10.573 -0.20 0.02 S ATOM 0 H CYS A 226 -13.613 2.100 9.500 -0.36 0.02 H new ATOM 0 HA CYS A 226 -11.405 3.590 10.529 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -13.790 4.988 9.773 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -13.706 4.969 11.523 0.20 0.02 H new ATOM 983 N ASP A 227 -14.158 2.759 12.144 -0.36 0.02 N ATOM 984 CA ASP A 227 -14.703 2.101 13.325 1.00 0.02 C ATOM 985 C ASP A 227 -13.642 1.436 14.198 0.48 0.02 C ATOM 986 O ASP A 227 -13.413 0.229 14.130 -0.48 0.02 O ATOM 987 CB ASP A 227 -15.776 1.111 12.885 -0.45 0.02 C ATOM 988 CG ASP A 227 -15.204 -0.124 12.213 0.49 0.02 C ATOM 989 OD1 ASP A 227 -14.812 -0.029 11.031 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -15.149 -1.185 12.870 -0.62 0.02 O ATOM 0 H ASP A 227 -14.865 3.220 11.572 -0.36 0.02 H new ATOM 0 HA ASP A 227 -15.145 2.867 13.962 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -16.361 0.807 13.754 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -16.461 1.608 12.198 -0.45 0.02 H new ATOM 995 N GLY A 228 -13.007 2.255 15.028 -0.36 0.02 N ATOM 996 CA GLY A 228 -11.983 1.771 15.926 -0.10 0.02 C ATOM 997 C GLY A 228 -11.932 2.584 17.203 0.48 0.02 C ATOM 998 O GLY A 228 -12.723 2.358 18.120 -0.48 0.02 O ATOM 0 H GLY A 228 -13.188 3.257 15.093 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -12.174 0.725 16.167 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -11.014 1.812 15.429 -0.10 0.02 H new ATOM 1002 N LYS A 229 -11.006 3.536 17.266 -0.36 0.02 N ATOM 1003 CA LYS A 229 -10.865 4.386 18.441 1.00 0.02 C ATOM 1004 C LYS A 229 -12.116 5.232 18.656 0.48 0.02 C ATOM 1005 O LYS A 229 -12.471 5.554 19.791 -0.48 0.02 O ATOM 1006 CB LYS A 229 -9.646 5.297 18.288 -0.20 0.02 C ATOM 1007 CG LYS A 229 -9.710 6.195 17.061 -0.20 0.02 C ATOM 1008 CD LYS A 229 -9.752 7.666 17.443 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.067 8.532 16.398 0.30 5.02 C ATOM 1010 NZ LYS A 229 -10.043 9.133 15.448 -0.81 0.02 N ATOM 0 H LYS A 229 -10.343 3.737 16.517 -0.36 0.02 H new ATOM 0 HA LYS A 229 -10.729 3.742 19.310 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -9.552 5.918 19.179 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -8.748 4.682 18.232 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -8.843 6.008 16.427 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -10.594 5.946 16.473 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -10.788 7.984 17.558 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -9.266 7.806 18.409 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -8.508 9.325 16.894 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -8.345 7.931 15.845 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -9.536 9.716 14.752 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -10.559 8.376 14.956 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -10.717 9.727 15.972 -0.81 0.02 H new ATOM 1024 N LYS A 230 -12.781 5.594 17.562 -0.36 0.02 N ATOM 1025 CA LYS A 230 -13.990 6.406 17.641 1.00 0.02 C ATOM 1026 C LYS A 230 -15.237 5.536 17.666 0.48 0.02 C ATOM 1027 O LYS A 230 -16.204 5.851 18.360 -0.48 0.02 O ATOM 1028 CB LYS A 230 -14.054 7.367 16.463 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.891 8.609 16.738 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.044 9.873 16.722 -0.20 0.02 C ATOM 1031 CE LYS A 230 -13.793 10.393 18.128 0.30 5.02 C ATOM 1032 NZ LYS A 230 -13.102 11.712 18.117 -0.81 0.02 N ATOM 0 H LYS A 230 -12.504 5.339 16.614 -0.36 0.02 H new ATOM 0 HA LYS A 230 -13.952 6.975 18.570 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -13.042 7.672 16.198 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -14.466 6.844 15.600 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -15.679 8.690 15.990 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -15.380 8.511 17.707 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -13.092 9.668 16.233 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -14.546 10.641 16.133 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -14.742 10.485 18.656 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -13.190 9.672 18.680 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -12.949 12.032 19.095 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -12.185 11.619 17.636 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -13.689 12.407 17.613 -0.81 0.02 H new ATOM 1046 N GLY A 231 -15.219 4.441 16.914 -0.36 0.02 N ATOM 1047 CA GLY A 231 -16.365 3.557 16.883 -0.10 0.02 C ATOM 1048 C GLY A 231 -17.458 4.040 15.950 0.48 0.02 C ATOM 1049 O GLY A 231 -18.499 4.516 16.403 -0.48 0.02 O ATOM 0 H GLY A 231 -14.435 4.152 16.329 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -16.042 2.563 16.573 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -16.770 3.461 17.890 -0.10 0.02 H new ATOM 1053 N PHE A 232 -17.240 3.896 14.644 -0.36 0.02 N ATOM 1054 CA PHE A 232 -18.239 4.301 13.665 1.00 0.02 C ATOM 1055 C PHE A 232 -18.233 3.409 12.415 0.48 0.02 C ATOM 1056 O PHE A 232 -18.315 2.187 12.535 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.130 5.780 13.314 -0.16 0.02 C ATOM 1058 CG PHE A 232 -16.773 6.349 13.018 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.155 6.137 11.793 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.170 7.213 13.924 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.975 6.773 11.492 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -14.972 7.828 13.624 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.379 7.613 12.405 -0.15 0.02 C ATOM 0 H PHE A 232 -16.387 3.505 14.245 -0.36 0.02 H new ATOM 0 HA PHE A 232 -19.210 4.159 14.139 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.762 5.962 12.445 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.554 6.349 14.141 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.604 5.469 11.073 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -16.645 7.405 14.875 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.511 6.612 10.530 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.502 8.478 14.347 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.447 8.102 12.163 -0.15 0.02 H new ATOM 1073 N LYS A 233 -18.199 4.003 11.216 -0.36 0.02 N ATOM 1074 CA LYS A 233 -18.249 3.223 9.984 1.00 0.02 C ATOM 1075 C LYS A 233 -17.435 3.848 8.847 0.48 0.02 C ATOM 1076 O LYS A 233 -16.810 4.896 9.007 -0.48 0.02 O ATOM 1077 CB LYS A 233 -19.699 3.092 9.549 -0.20 0.02 C ATOM 1078 CG LYS A 233 -20.177 1.655 9.425 -0.20 0.02 C ATOM 1079 CD LYS A 233 -21.645 1.523 9.798 -0.20 0.02 C ATOM 1080 CE LYS A 233 -21.942 0.176 10.440 0.30 5.02 C ATOM 1081 NZ LYS A 233 -22.618 0.326 11.758 -0.81 0.02 N ATOM 0 H LYS A 233 -18.138 5.012 11.078 -0.36 0.02 H new ATOM 0 HA LYS A 233 -17.807 2.249 10.194 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -20.332 3.615 10.266 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -19.826 3.591 8.588 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -20.027 1.307 8.403 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -19.577 1.014 10.071 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -21.919 2.323 10.486 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -22.260 1.645 8.906 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -22.572 -0.413 9.774 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -21.012 -0.377 10.570 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -22.803 -0.614 12.162 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -22.006 0.866 12.403 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -23.518 0.831 11.631 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.469 3.184 7.690 -0.36 0.02 N ATOM 1096 CA LEU A 234 -16.759 3.647 6.499 1.00 0.02 C ATOM 1097 C LEU A 234 -17.729 4.273 5.497 0.48 0.02 C ATOM 1098 O LEU A 234 -18.610 3.595 4.970 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.022 2.478 5.832 -0.20 0.02 C ATOM 1100 CG LEU A 234 -15.617 2.709 4.369 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -14.808 3.986 4.237 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -14.831 1.524 3.828 -0.30 0.02 C ATOM 0 H LEU A 234 -17.986 2.316 7.554 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.037 4.402 6.810 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -15.125 2.258 6.410 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -16.657 1.594 5.881 -0.20 0.02 H new ATOM 0 HG LEU A 234 -16.527 2.811 3.778 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -14.529 4.134 3.194 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.406 4.832 4.577 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -13.907 3.911 4.846 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -14.556 1.713 2.790 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -13.928 1.384 4.423 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -15.445 0.625 3.883 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.557 5.564 5.228 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.417 6.263 4.279 1.00 0.02 C ATOM 1116 C ALA A 235 -18.349 5.613 2.903 0.48 0.02 C ATOM 1117 O ALA A 235 -17.746 4.553 2.735 -0.48 0.02 O ATOM 1118 CB ALA A 235 -18.022 7.727 4.181 -0.30 0.02 C ATOM 0 H ALA A 235 -16.833 6.145 5.652 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.442 6.197 4.643 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -18.674 8.233 3.469 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -18.120 8.197 5.160 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.988 7.803 3.844 -0.30 0.02 H new ATOM 1124 N GLN A 236 -18.976 6.252 1.920 -0.36 0.02 N ATOM 1125 CA GLN A 236 -18.988 5.730 0.560 1.00 0.02 C ATOM 1126 C GLN A 236 -17.609 5.838 -0.088 0.48 0.02 C ATOM 1127 O GLN A 236 -17.101 4.863 -0.641 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.024 6.474 -0.286 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.368 5.768 -0.360 -0.20 0.02 C ATOM 1130 CD GLN A 236 -22.520 6.728 -0.579 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -22.375 7.746 -1.256 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -23.674 6.409 -0.003 -0.52 0.02 N ATOM 0 H GLN A 236 -19.481 7.130 2.041 -0.36 0.02 H new ATOM 0 HA GLN A 236 -19.258 4.675 0.610 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -20.169 7.472 0.127 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -19.633 6.601 -1.296 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -21.348 5.040 -1.171 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -21.534 5.212 0.563 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -23.749 5.555 0.550 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -24.485 7.018 -0.114 -0.52 0.02 H new ATOM 1141 N ASP A 237 -17.020 7.035 -0.024 -0.36 0.02 N ATOM 1142 CA ASP A 237 -15.698 7.295 -0.611 1.00 0.02 C ATOM 1143 C ASP A 237 -14.807 6.054 -0.574 0.48 0.02 C ATOM 1144 O ASP A 237 -14.088 5.769 -1.531 -0.48 0.02 O ATOM 1145 CB ASP A 237 -15.007 8.447 0.124 -0.45 0.02 C ATOM 1146 CG ASP A 237 -15.909 9.654 0.290 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -16.829 9.596 1.133 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.695 10.657 -0.423 -0.62 0.02 O ATOM 0 H ASP A 237 -17.439 7.846 0.431 -0.36 0.02 H new ATOM 0 HA ASP A 237 -15.854 7.568 -1.655 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -14.681 8.104 1.106 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -14.112 8.739 -0.425 -0.45 0.02 H new ATOM 1153 N GLN A 238 -14.868 5.327 0.543 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.082 4.105 0.746 1.00 0.02 C ATOM 1155 C GLN A 238 -12.744 4.412 1.405 0.48 0.02 C ATOM 1156 O GLN A 238 -12.275 3.647 2.245 -0.48 0.02 O ATOM 1157 CB GLN A 238 -13.861 3.345 -0.565 -0.20 0.02 C ATOM 1158 CG GLN A 238 -13.377 1.918 -0.365 -0.20 0.02 C ATOM 1159 CD GLN A 238 -14.487 0.899 -0.529 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -15.651 1.179 -0.242 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -14.131 -0.294 -0.992 -0.52 0.02 N ATOM 0 H GLN A 238 -15.464 5.568 1.335 -0.36 0.02 H new ATOM 0 HA GLN A 238 -14.661 3.466 1.413 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -14.794 3.328 -1.128 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.134 3.885 -1.171 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -12.583 1.704 -1.080 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -12.944 1.821 0.630 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -13.154 -0.483 -1.217 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -14.834 -1.021 -1.122 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.121 5.525 1.027 -0.36 0.02 N ATOM 1171 CA LYS A 239 -10.837 5.902 1.604 1.00 0.02 C ATOM 1172 C LYS A 239 -11.043 6.706 2.885 0.48 0.02 C ATOM 1173 O LYS A 239 -10.208 6.682 3.790 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.015 6.716 0.601 -0.20 0.02 C ATOM 1175 CG LYS A 239 -10.152 6.234 -0.835 -0.20 0.02 C ATOM 1176 CD LYS A 239 -9.375 7.119 -1.796 -0.20 0.02 C ATOM 1177 CE LYS A 239 -9.137 6.422 -3.126 0.30 5.02 C ATOM 1178 NZ LYS A 239 -10.136 6.829 -4.153 -0.81 0.02 N ATOM 0 H LYS A 239 -12.482 6.176 0.329 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.291 4.990 1.845 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -10.322 7.760 0.655 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -8.965 6.677 0.889 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -9.792 5.208 -0.911 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -11.205 6.224 -1.118 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -9.923 8.046 -1.963 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -8.418 7.390 -1.350 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -8.134 6.654 -3.483 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -9.182 5.342 -2.983 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -9.939 6.332 -5.045 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -11.092 6.584 -3.824 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -10.076 7.856 -4.308 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.168 7.409 2.959 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.498 8.206 4.134 1.00 0.02 C ATOM 1194 C SER A 240 -13.519 7.467 4.985 0.48 0.02 C ATOM 1195 O SER A 240 -14.172 6.541 4.512 -0.48 0.02 O ATOM 1196 CB SER A 240 -13.044 9.574 3.720 0.08 0.02 C ATOM 1197 OG SER A 240 -12.581 10.593 4.589 -0.68 0.02 O ATOM 0 H SER A 240 -12.868 7.443 2.218 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.591 8.363 4.719 1.00 0.02 H new ATOM 0 HB2 SER A 240 -12.738 9.797 2.698 0.08 0.02 H new ATOM 0 HB3 SER A 240 -14.134 9.552 3.729 0.08 0.02 H new ATOM 0 HG SER A 240 -12.943 11.457 4.302 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.642 7.859 6.245 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.572 7.199 7.152 1.00 0.02 C ATOM 1205 C CYS A 241 -15.525 8.187 7.820 0.48 0.02 C ATOM 1206 O CYS A 241 -15.174 9.342 8.064 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.788 6.441 8.212 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.550 7.455 9.078 -0.20 0.02 S ATOM 0 H CYS A 241 -13.114 8.626 6.661 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.179 6.509 6.565 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -14.485 6.033 8.944 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.286 5.594 7.743 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.733 7.712 8.120 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.750 8.533 8.769 1.00 0.02 C ATOM 1215 C GLU A 242 -18.552 7.708 9.776 0.48 0.02 C ATOM 1216 O GLU A 242 -18.560 6.478 9.717 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.690 9.138 7.725 -0.20 0.02 C ATOM 1218 CG GLU A 242 -19.118 10.562 8.043 -0.45 0.02 C ATOM 1219 CD GLU A 242 -19.306 11.406 6.797 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -18.653 11.109 5.775 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -20.105 12.364 6.845 -0.62 0.02 O ATOM 0 H GLU A 242 -17.031 6.757 7.922 -0.36 0.02 H new ATOM 0 HA GLU A 242 -17.246 9.338 9.303 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -18.197 9.124 6.753 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -19.578 8.511 7.641 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -20.051 10.540 8.607 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -18.369 11.028 8.684 -0.45 0.02 H new ATOM 1228 N VAL A 243 -19.229 8.390 10.696 -0.36 0.02 N ATOM 1229 CA VAL A 243 -20.037 7.718 11.711 1.00 0.02 C ATOM 1230 C VAL A 243 -21.513 7.720 11.327 0.48 0.02 C ATOM 1231 O VAL A 243 -22.032 8.714 10.819 -0.48 0.02 O ATOM 1232 CB VAL A 243 -19.873 8.385 13.091 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -20.285 9.848 13.031 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -20.675 7.639 14.148 -0.30 0.02 C ATOM 0 H VAL A 243 -19.234 9.408 10.760 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.682 6.689 11.770 1.00 0.02 H new ATOM 0 HB VAL A 243 -18.820 8.340 13.371 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -20.162 10.301 14.015 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -19.659 10.373 12.309 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -21.329 9.920 12.726 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -20.545 8.126 15.114 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -21.731 7.647 13.877 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -20.324 6.609 14.211 -0.30 0.02 H new