USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 479 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 NoAdj : A 203 GLNHE21 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD NoAdj : A 203 GLNHE22 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD NoAdj : A 214 ASNHD21 : A 214 ASN OD1 : A 251 ZNZN :(metal ligand) USER MOD NoAdj : A 214 ASNHD22 : A 214 ASN OD1 : A 251 ZNZN :(metal ligand) USER MOD Set 1.1: A 212 CYS SG : rot -59:sc= -6.77! USER MOD Set 1.2: A 217 CYS SG : rot -171:sc= 1.62 USER MOD Set 1.3: A 239 CYS SG : rot 164:sc= 0.562 USER MOD Set 1.4: A 242 CYS SG : rot 111:sc= 1.56 USER MOD Set 2.1: A 199 CYS SG : rot -149:sc= 0.553 USER MOD Set 2.2: A 201 CYS SG : rot 112:sc= 0.111 USER MOD Set 2.3: A 226 CYS SG : rot 138:sc= 0.783 USER MOD Set 3.1: A 206 TYR OH : rot 180:sc= 0.292 USER MOD Set 3.2: A 209 MET CE :methyl -166:sc= -0.193 (180deg=-0.762) USER MOD Single : A 187 MET CE :methyl 173:sc= 0 (180deg=-0.0497) USER MOD Single : A 189 MET CE :methyl 168:sc= -0.302 (180deg=-0.593) USER MOD Single : A 194 ASN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot -43:sc= 0.125 USER MOD Single : A 223 HIS : no HD1:sc= -1.97 K(o=-2,f=-1.4) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0488) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0.0887 X(o=0.089,f=0) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ 179:sc= 0.808 (180deg=0.807) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -2.330 7.454 0.397 1.00 0.00 N ATOM 2 CA MET A 187 -1.502 7.283 -0.813 1.00 0.00 C ATOM 3 C MET A 187 -1.149 8.659 -1.368 1.00 0.00 C ATOM 4 O MET A 187 -1.914 9.255 -2.125 1.00 0.00 O ATOM 5 CB MET A 187 -2.188 6.394 -1.862 1.00 0.00 C ATOM 6 CG MET A 187 -2.297 4.940 -1.384 1.00 0.00 C ATOM 7 SD MET A 187 -3.134 3.812 -2.533 1.00 0.00 S ATOM 8 CE MET A 187 -1.925 3.740 -3.882 1.00 0.00 C ATOM 0 HA MET A 187 -0.583 6.762 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 187 -3.184 6.783 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 187 -1.625 6.430 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 187 -1.293 4.560 -1.193 1.00 0.00 H new ATOM 0 HG3 MET A 187 -2.829 4.926 -0.433 1.00 0.00 H new ATOM 0 HE1 MET A 187 -2.236 2.990 -4.610 1.00 0.00 H new ATOM 0 HE2 MET A 187 -1.864 4.714 -4.368 1.00 0.00 H new ATOM 0 HE3 MET A 187 -0.947 3.473 -3.481 1.00 0.00 H new ATOM 20 N ASP A 188 0.004 9.166 -0.921 1.00 0.00 N ATOM 21 CA ASP A 188 0.456 10.540 -1.117 1.00 0.00 C ATOM 22 C ASP A 188 1.962 10.645 -0.829 1.00 0.00 C ATOM 23 O ASP A 188 2.559 9.705 -0.301 1.00 0.00 O ATOM 24 CB ASP A 188 -0.349 11.471 -0.188 1.00 0.00 C ATOM 25 CG ASP A 188 -0.285 11.048 1.284 1.00 0.00 C ATOM 26 OD1 ASP A 188 -1.106 10.183 1.669 1.00 0.00 O ATOM 27 OD2 ASP A 188 0.585 11.594 1.996 1.00 0.00 O ATOM 0 H ASP A 188 0.672 8.605 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 188 0.290 10.841 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 188 0.030 12.488 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -1.390 11.486 -0.511 1.00 0.00 H new ATOM 32 N MET A 189 2.548 11.807 -1.163 1.00 0.00 N ATOM 33 CA MET A 189 3.965 12.149 -0.994 1.00 0.00 C ATOM 34 C MET A 189 4.908 10.985 -1.380 1.00 0.00 C ATOM 35 O MET A 189 5.547 10.410 -0.497 1.00 0.00 O ATOM 36 CB MET A 189 4.211 12.690 0.432 1.00 0.00 C ATOM 37 CG MET A 189 3.415 13.960 0.785 1.00 0.00 C ATOM 38 SD MET A 189 4.257 15.561 0.586 1.00 0.00 S ATOM 39 CE MET A 189 4.710 15.544 -1.168 1.00 0.00 C ATOM 0 H MET A 189 2.016 12.571 -1.580 1.00 0.00 H new ATOM 0 HA MET A 189 4.212 12.946 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 189 3.960 11.909 1.150 1.00 0.00 H new ATOM 0 HB3 MET A 189 5.274 12.900 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 189 2.515 13.975 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 189 3.091 13.877 1.822 1.00 0.00 H new ATOM 0 HE1 MET A 189 5.036 16.540 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 189 5.521 14.833 -1.327 1.00 0.00 H new ATOM 0 HE3 MET A 189 3.846 15.249 -1.764 1.00 0.00 H new ATOM 49 N PRO A 190 4.956 10.583 -2.672 1.00 0.00 N ATOM 50 CA PRO A 190 5.694 9.415 -3.159 1.00 0.00 C ATOM 51 C PRO A 190 7.213 9.669 -3.196 1.00 0.00 C ATOM 52 O PRO A 190 7.797 9.935 -4.248 1.00 0.00 O ATOM 53 CB PRO A 190 5.089 9.103 -4.534 1.00 0.00 C ATOM 54 CG PRO A 190 4.683 10.482 -5.049 1.00 0.00 C ATOM 55 CD PRO A 190 4.223 11.192 -3.777 1.00 0.00 C ATOM 0 HA PRO A 190 5.595 8.557 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 190 5.811 8.622 -5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 190 4.233 8.433 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 190 5.517 10.999 -5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 190 3.885 10.419 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 190 4.427 12.261 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 190 3.148 11.080 -3.638 1.00 0.00 H new ATOM 63 N VAL A 191 7.842 9.600 -2.017 1.00 0.00 N ATOM 64 CA VAL A 191 9.261 9.799 -1.765 1.00 0.00 C ATOM 65 C VAL A 191 9.626 8.995 -0.499 1.00 0.00 C ATOM 66 O VAL A 191 8.805 8.251 0.043 1.00 0.00 O ATOM 67 CB VAL A 191 9.542 11.326 -1.681 1.00 0.00 C ATOM 68 CG1 VAL A 191 9.019 11.984 -0.395 1.00 0.00 C ATOM 69 CG2 VAL A 191 11.023 11.688 -1.886 1.00 0.00 C ATOM 0 H VAL A 191 7.332 9.389 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 191 9.899 9.428 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 191 8.974 11.735 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 191 9.253 13.049 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 191 7.939 11.851 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 191 9.494 11.520 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 191 11.147 12.769 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 191 11.626 11.202 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 191 11.347 11.350 -2.870 1.00 0.00 H new ATOM 79 N ASP A 192 10.870 9.138 -0.041 1.00 0.00 N ATOM 80 CA ASP A 192 11.418 8.529 1.169 1.00 0.00 C ATOM 81 C ASP A 192 10.558 8.810 2.419 1.00 0.00 C ATOM 82 O ASP A 192 9.920 9.862 2.497 1.00 0.00 O ATOM 83 CB ASP A 192 12.839 9.071 1.391 1.00 0.00 C ATOM 84 CG ASP A 192 13.795 8.652 0.275 1.00 0.00 C ATOM 85 OD1 ASP A 192 13.884 9.407 -0.718 1.00 0.00 O ATOM 86 OD2 ASP A 192 14.418 7.580 0.437 1.00 0.00 O ATOM 0 H ASP A 192 11.557 9.712 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 192 11.427 7.449 1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 192 12.806 10.159 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 192 13.219 8.711 2.347 1.00 0.00 H new ATOM 91 N PRO A 193 10.596 7.930 3.443 1.00 0.00 N ATOM 92 CA PRO A 193 9.960 8.161 4.743 1.00 0.00 C ATOM 93 C PRO A 193 10.684 9.234 5.587 1.00 0.00 C ATOM 94 O PRO A 193 10.321 9.453 6.742 1.00 0.00 O ATOM 95 CB PRO A 193 9.966 6.788 5.428 1.00 0.00 C ATOM 96 CG PRO A 193 11.231 6.133 4.881 1.00 0.00 C ATOM 97 CD PRO A 193 11.282 6.643 3.442 1.00 0.00 C ATOM 0 HA PRO A 193 8.952 8.559 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 193 9.997 6.879 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 193 9.075 6.211 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 193 12.115 6.427 5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 193 11.174 5.045 4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 193 12.312 6.751 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 193 10.795 5.943 2.763 1.00 0.00 H new ATOM 105 N ASN A 194 11.696 9.899 5.011 1.00 0.00 N ATOM 106 CA ASN A 194 12.560 10.888 5.642 1.00 0.00 C ATOM 107 C ASN A 194 12.177 12.286 5.130 1.00 0.00 C ATOM 108 O ASN A 194 12.966 12.955 4.463 1.00 0.00 O ATOM 109 CB ASN A 194 14.026 10.512 5.361 1.00 0.00 C ATOM 110 CG ASN A 194 14.364 9.106 5.856 1.00 0.00 C ATOM 111 OD1 ASN A 194 14.434 8.864 7.058 1.00 0.00 O ATOM 112 ND2 ASN A 194 14.564 8.165 4.934 1.00 0.00 N ATOM 0 H ASN A 194 11.942 9.746 4.033 1.00 0.00 H new ATOM 0 HA ASN A 194 12.434 10.904 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 194 14.217 10.574 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 194 14.684 11.234 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 194 14.783 7.210 5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 194 14.498 8.399 3.943 1.00 0.00 H new ATOM 119 N GLU A 195 10.933 12.697 5.419 1.00 0.00 N ATOM 120 CA GLU A 195 10.310 13.910 4.902 1.00 0.00 C ATOM 121 C GLU A 195 9.652 14.655 6.076 1.00 0.00 C ATOM 122 O GLU A 195 8.614 14.205 6.565 1.00 0.00 O ATOM 123 CB GLU A 195 9.287 13.538 3.812 1.00 0.00 C ATOM 124 CG GLU A 195 8.616 14.782 3.205 1.00 0.00 C ATOM 125 CD GLU A 195 7.477 14.408 2.256 1.00 0.00 C ATOM 126 OE1 GLU A 195 6.441 13.932 2.772 1.00 0.00 O ATOM 127 OE2 GLU A 195 7.645 14.628 1.037 1.00 0.00 O ATOM 0 H GLU A 195 10.318 12.172 6.041 1.00 0.00 H new ATOM 0 HA GLU A 195 11.051 14.566 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 195 9.786 12.974 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.524 12.886 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 195 8.230 15.413 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 195 9.360 15.369 2.666 1.00 0.00 H new ATOM 134 N PRO A 196 10.227 15.782 6.544 1.00 0.00 N ATOM 135 CA PRO A 196 9.612 16.609 7.574 1.00 0.00 C ATOM 136 C PRO A 196 8.446 17.421 6.990 1.00 0.00 C ATOM 137 O PRO A 196 8.399 17.685 5.787 1.00 0.00 O ATOM 138 CB PRO A 196 10.735 17.516 8.083 1.00 0.00 C ATOM 139 CG PRO A 196 11.620 17.699 6.851 1.00 0.00 C ATOM 140 CD PRO A 196 11.499 16.358 6.127 1.00 0.00 C ATOM 0 HA PRO A 196 9.187 16.015 8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.350 18.468 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.281 17.057 8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.276 18.525 6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.652 17.916 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.528 16.496 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.328 15.700 6.387 1.00 0.00 H new ATOM 148 N THR A 197 7.517 17.840 7.857 1.00 0.00 N ATOM 149 CA THR A 197 6.314 18.576 7.486 1.00 0.00 C ATOM 150 C THR A 197 6.010 19.650 8.539 1.00 0.00 C ATOM 151 O THR A 197 6.654 19.714 9.588 1.00 0.00 O ATOM 152 CB THR A 197 5.118 17.617 7.296 1.00 0.00 C ATOM 153 OG1 THR A 197 4.825 16.932 8.497 1.00 0.00 O ATOM 154 CG2 THR A 197 5.329 16.589 6.177 1.00 0.00 C ATOM 0 H THR A 197 7.588 17.670 8.860 1.00 0.00 H new ATOM 0 HA THR A 197 6.486 19.073 6.531 1.00 0.00 H new ATOM 0 HB THR A 197 4.280 18.252 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.064 16.332 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.450 15.949 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.484 17.108 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.203 15.979 6.404 1.00 0.00 H new ATOM 162 N TYR A 198 5.023 20.500 8.231 1.00 0.00 N ATOM 163 CA TYR A 198 4.737 21.723 8.982 1.00 0.00 C ATOM 164 C TYR A 198 3.241 21.910 9.271 1.00 0.00 C ATOM 165 O TYR A 198 2.829 21.542 10.366 1.00 0.00 O ATOM 166 CB TYR A 198 5.346 22.910 8.232 1.00 0.00 C ATOM 167 CG TYR A 198 6.857 22.839 8.092 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.682 23.250 9.156 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.438 22.333 6.911 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.081 23.160 9.047 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.835 22.230 6.798 1.00 0.00 C ATOM 172 CZ TYR A 198 9.663 22.645 7.865 1.00 0.00 C ATOM 173 OH TYR A 198 11.019 22.543 7.749 1.00 0.00 O ATOM 0 H TYR A 198 4.393 20.353 7.442 1.00 0.00 H new ATOM 0 HA TYR A 198 5.198 21.648 9.967 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.901 22.967 7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.082 23.831 8.753 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.238 23.637 10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.807 22.024 6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.710 23.483 9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.276 21.834 5.895 1.00 0.00 H new ATOM 0 HH TYR A 198 11.245 22.168 6.872 1.00 0.00 H new ATOM 183 N CYS A 199 2.443 22.473 8.337 1.00 0.00 N ATOM 184 CA CYS A 199 1.018 22.771 8.518 1.00 0.00 C ATOM 185 C CYS A 199 0.194 21.552 8.938 1.00 0.00 C ATOM 186 O CYS A 199 0.642 20.411 8.837 1.00 0.00 O ATOM 187 CB CYS A 199 0.389 23.516 7.311 1.00 0.00 C ATOM 188 SG CYS A 199 -0.987 24.561 7.895 1.00 0.00 S ATOM 0 H CYS A 199 2.788 22.737 7.414 1.00 0.00 H new ATOM 0 HA CYS A 199 0.981 23.466 9.357 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.142 24.130 6.816 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.028 22.798 6.574 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.891 24.648 6.965 1.00 0.00 H new ATOM 193 N LEU A 200 -1.053 21.820 9.346 1.00 0.00 N ATOM 194 CA LEU A 200 -2.091 20.819 9.605 1.00 0.00 C ATOM 195 C LEU A 200 -2.381 19.921 8.391 1.00 0.00 C ATOM 196 O LEU A 200 -3.044 18.893 8.518 1.00 0.00 O ATOM 197 CB LEU A 200 -3.356 21.523 10.134 1.00 0.00 C ATOM 198 CG LEU A 200 -4.054 22.417 9.085 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.207 21.701 8.365 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.600 23.699 9.728 1.00 0.00 C ATOM 0 H LEU A 200 -1.376 22.773 9.510 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.722 20.136 10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.062 20.769 10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.088 22.132 10.997 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.288 22.662 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.659 22.378 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.823 20.821 7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.958 21.396 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.086 24.309 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.323 23.439 10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.779 24.261 10.174 1.00 0.00 H new ATOM 212 N CYS A 201 -1.863 20.323 7.225 1.00 0.00 N ATOM 213 CA CYS A 201 -1.939 19.621 5.956 1.00 0.00 C ATOM 214 C CYS A 201 -0.935 18.465 5.843 1.00 0.00 C ATOM 215 O CYS A 201 -1.102 17.601 4.985 1.00 0.00 O ATOM 216 CB CYS A 201 -1.568 20.641 4.887 1.00 0.00 C ATOM 217 SG CYS A 201 -2.722 22.036 4.814 1.00 0.00 S ATOM 0 H CYS A 201 -1.350 21.201 7.146 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.939 19.200 5.852 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.564 21.017 5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.540 20.148 3.915 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.124 23.116 5.222 1.00 0.00 H new ATOM 223 N HIS A 202 0.106 18.480 6.687 1.00 0.00 N ATOM 224 CA HIS A 202 1.252 17.580 6.678 1.00 0.00 C ATOM 225 C HIS A 202 1.988 17.613 5.331 1.00 0.00 C ATOM 226 O HIS A 202 2.068 16.605 4.629 1.00 0.00 O ATOM 227 CB HIS A 202 0.865 16.170 7.164 1.00 0.00 C ATOM 228 CG HIS A 202 0.168 16.113 8.506 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.633 15.087 8.949 1.00 0.00 N ATOM 230 CD2 HIS A 202 0.213 17.040 9.514 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.060 15.400 10.185 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.572 16.587 10.578 1.00 0.00 N ATOM 0 H HIS A 202 0.167 19.167 7.439 1.00 0.00 H new ATOM 0 HA HIS A 202 1.981 17.940 7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.216 15.712 6.417 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.768 15.562 7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 202 0.764 17.968 9.490 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -1.710 14.778 10.783 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.739 17.059 11.467 1.00 0.00 H new ATOM 240 N GLN A 203 2.523 18.795 4.984 1.00 0.00 N ATOM 241 CA GLN A 203 3.321 19.033 3.788 1.00 0.00 C ATOM 242 C GLN A 203 4.685 19.662 4.109 1.00 0.00 C ATOM 243 O GLN A 203 4.872 20.273 5.161 1.00 0.00 O ATOM 244 CB GLN A 203 2.510 19.827 2.742 1.00 0.00 C ATOM 245 CG GLN A 203 2.536 21.364 2.851 1.00 0.00 C ATOM 246 CD GLN A 203 1.847 21.945 4.084 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.760 22.511 3.988 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.483 21.884 5.249 1.00 0.00 N ATOM 0 H GLN A 203 2.403 19.633 5.552 1.00 0.00 H new ATOM 0 HA GLN A 203 3.556 18.067 3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.874 19.552 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.471 19.501 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.575 21.694 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.065 21.782 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.384 21.411 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.070 22.310 6.079 1.00 0.00 H new ATOM 257 N VAL A 204 5.625 19.506 3.169 1.00 0.00 N ATOM 258 CA VAL A 204 7.021 19.952 3.252 1.00 0.00 C ATOM 259 C VAL A 204 7.123 21.493 3.210 1.00 0.00 C ATOM 260 O VAL A 204 6.113 22.195 3.130 1.00 0.00 O ATOM 261 CB VAL A 204 7.871 19.284 2.126 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.305 18.976 2.599 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.299 17.958 1.584 1.00 0.00 C ATOM 0 H VAL A 204 5.422 19.041 2.284 1.00 0.00 H new ATOM 0 HA VAL A 204 7.427 19.635 4.213 1.00 0.00 H new ATOM 0 HB VAL A 204 7.853 20.028 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.864 18.512 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.797 19.902 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.269 18.296 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.956 17.569 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.228 17.234 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.307 18.133 1.167 1.00 0.00 H new ATOM 273 N SER A 205 8.360 22.009 3.267 1.00 0.00 N ATOM 274 CA SER A 205 8.738 23.423 3.211 1.00 0.00 C ATOM 275 C SER A 205 8.018 24.217 2.110 1.00 0.00 C ATOM 276 O SER A 205 7.705 23.694 1.040 1.00 0.00 O ATOM 277 CB SER A 205 10.261 23.539 3.070 1.00 0.00 C ATOM 278 OG SER A 205 10.719 22.899 1.895 1.00 0.00 O ATOM 0 H SER A 205 9.177 21.405 3.360 1.00 0.00 H new ATOM 0 HA SER A 205 8.414 23.877 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.547 24.591 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.744 23.095 3.940 1.00 0.00 H new ATOM 0 HG SER A 205 11.693 22.991 1.831 1.00 0.00 H new ATOM 284 N TYR A 206 7.777 25.500 2.402 1.00 0.00 N ATOM 285 CA TYR A 206 6.900 26.392 1.648 1.00 0.00 C ATOM 286 C TYR A 206 7.317 27.861 1.823 1.00 0.00 C ATOM 287 O TYR A 206 8.215 28.173 2.607 1.00 0.00 O ATOM 288 CB TYR A 206 5.448 26.159 2.117 1.00 0.00 C ATOM 289 CG TYR A 206 5.200 26.352 3.607 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.640 25.378 4.529 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.519 27.491 4.081 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.443 25.553 5.905 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.249 27.621 5.455 1.00 0.00 C ATOM 294 CZ TYR A 206 4.709 26.656 6.373 1.00 0.00 C ATOM 295 OH TYR A 206 4.442 26.786 7.700 1.00 0.00 O ATOM 0 H TYR A 206 8.207 25.961 3.204 1.00 0.00 H new ATOM 0 HA TYR A 206 6.979 26.171 0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.794 26.836 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.156 25.144 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.134 24.488 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.206 28.261 3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.855 24.841 6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.683 28.469 5.810 1.00 0.00 H new ATOM 0 HH TYR A 206 3.926 27.605 7.851 1.00 0.00 H new ATOM 305 N GLY A 207 6.666 28.760 1.070 1.00 0.00 N ATOM 306 CA GLY A 207 7.053 30.162 0.963 1.00 0.00 C ATOM 307 C GLY A 207 6.559 31.008 2.136 1.00 0.00 C ATOM 308 O GLY A 207 7.367 31.422 2.967 1.00 0.00 O ATOM 0 H GLY A 207 5.845 28.523 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 207 8.139 30.230 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.658 30.573 0.034 1.00 0.00 H new ATOM 312 N GLU A 208 5.244 31.264 2.206 1.00 0.00 N ATOM 313 CA GLU A 208 4.646 32.152 3.195 1.00 0.00 C ATOM 314 C GLU A 208 4.211 31.377 4.440 1.00 0.00 C ATOM 315 O GLU A 208 3.390 30.465 4.354 1.00 0.00 O ATOM 316 CB GLU A 208 3.499 32.936 2.552 1.00 0.00 C ATOM 317 CG GLU A 208 2.346 32.122 1.926 1.00 0.00 C ATOM 318 CD GLU A 208 1.210 32.991 1.374 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.482 34.149 0.985 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.072 32.472 1.347 1.00 0.00 O ATOM 0 H GLU A 208 4.564 30.852 1.567 1.00 0.00 H new ATOM 0 HA GLU A 208 5.390 32.873 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.074 33.594 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.921 33.575 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 208 2.744 31.504 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.941 31.444 2.677 1.00 0.00 H new ATOM 327 N MET A 209 4.773 31.747 5.600 1.00 0.00 N ATOM 328 CA MET A 209 4.648 30.956 6.823 1.00 0.00 C ATOM 329 C MET A 209 4.491 31.812 8.077 1.00 0.00 C ATOM 330 O MET A 209 5.159 32.835 8.240 1.00 0.00 O ATOM 331 CB MET A 209 5.888 30.053 7.042 1.00 0.00 C ATOM 332 CG MET A 209 6.726 29.632 5.821 1.00 0.00 C ATOM 333 SD MET A 209 7.772 28.142 5.972 1.00 0.00 S ATOM 334 CE MET A 209 7.995 27.905 7.760 1.00 0.00 C ATOM 0 H MET A 209 5.323 32.599 5.712 1.00 0.00 H new ATOM 0 HA MET A 209 3.748 30.359 6.678 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.552 30.568 7.736 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.550 29.144 7.539 1.00 0.00 H new ATOM 0 HG2 MET A 209 6.044 29.478 4.985 1.00 0.00 H new ATOM 0 HG3 MET A 209 7.372 30.468 5.555 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.802 27.193 7.935 1.00 0.00 H new ATOM 0 HE2 MET A 209 8.245 28.858 8.225 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.072 27.521 8.194 1.00 0.00 H new ATOM 344 N ILE A 210 3.672 31.295 9.000 1.00 0.00 N ATOM 345 CA ILE A 210 3.463 31.828 10.344 1.00 0.00 C ATOM 346 C ILE A 210 3.487 30.689 11.367 1.00 0.00 C ATOM 347 O ILE A 210 3.120 29.559 11.056 1.00 0.00 O ATOM 348 CB ILE A 210 2.154 32.646 10.393 1.00 0.00 C ATOM 349 CG1 ILE A 210 2.038 33.417 11.723 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.905 31.786 10.104 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.965 34.506 11.684 1.00 0.00 C ATOM 0 H ILE A 210 3.115 30.459 8.820 1.00 0.00 H new ATOM 0 HA ILE A 210 4.273 32.509 10.603 1.00 0.00 H new ATOM 0 HB ILE A 210 2.200 33.380 9.588 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.809 32.716 12.526 1.00 0.00 H new ATOM 0 HG13 ILE A 210 3.001 33.870 11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.014 32.412 10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.988 31.347 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.831 30.991 10.846 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.928 35.015 12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 210 1.205 35.226 10.902 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.005 34.054 11.475 1.00 0.00 H new ATOM 363 N GLY A 211 3.918 31.011 12.590 1.00 0.00 N ATOM 364 CA GLY A 211 4.188 30.054 13.655 1.00 0.00 C ATOM 365 C GLY A 211 3.474 30.408 14.959 1.00 0.00 C ATOM 366 O GLY A 211 3.387 31.574 15.345 1.00 0.00 O ATOM 0 H GLY A 211 4.093 31.976 12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.877 29.060 13.333 1.00 0.00 H new ATOM 0 HA3 GLY A 211 5.262 30.009 13.834 1.00 0.00 H new ATOM 370 N CYS A 212 2.951 29.362 15.610 1.00 0.00 N ATOM 371 CA CYS A 212 2.017 29.439 16.735 1.00 0.00 C ATOM 372 C CYS A 212 2.734 29.763 18.048 1.00 0.00 C ATOM 373 O CYS A 212 3.667 29.066 18.442 1.00 0.00 O ATOM 374 CB CYS A 212 1.170 28.151 16.815 1.00 0.00 C ATOM 375 SG CYS A 212 0.823 27.394 15.249 1.00 0.00 S ATOM 0 H CYS A 212 3.177 28.401 15.355 1.00 0.00 H new ATOM 0 HA CYS A 212 1.332 30.269 16.561 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.690 27.429 17.445 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.226 28.383 17.308 1.00 0.00 H new ATOM 0 HG CYS A 212 0.177 28.233 14.495 1.00 0.00 H new ATOM 380 N ASP A 213 2.255 30.820 18.718 1.00 0.00 N ATOM 381 CA ASP A 213 2.807 31.399 19.946 1.00 0.00 C ATOM 382 C ASP A 213 2.639 30.499 21.190 1.00 0.00 C ATOM 383 O ASP A 213 3.093 30.860 22.274 1.00 0.00 O ATOM 384 CB ASP A 213 2.133 32.769 20.146 1.00 0.00 C ATOM 385 CG ASP A 213 2.738 33.609 21.273 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.857 34.123 21.061 1.00 0.00 O ATOM 387 OD2 ASP A 213 2.054 33.761 22.310 1.00 0.00 O ATOM 0 H ASP A 213 1.426 31.320 18.398 1.00 0.00 H new ATOM 0 HA ASP A 213 3.886 31.502 19.832 1.00 0.00 H new ATOM 0 HB2 ASP A 213 2.197 33.332 19.215 1.00 0.00 H new ATOM 0 HB3 ASP A 213 1.074 32.613 20.353 1.00 0.00 H new ATOM 392 N ASN A 214 1.985 29.336 21.053 1.00 0.00 N ATOM 393 CA ASN A 214 1.655 28.457 22.166 1.00 0.00 C ATOM 394 C ASN A 214 2.911 27.848 22.816 1.00 0.00 C ATOM 395 O ASN A 214 3.872 27.542 22.108 1.00 0.00 O ATOM 396 CB ASN A 214 0.845 27.256 21.665 1.00 0.00 C ATOM 397 CG ASN A 214 -0.468 27.536 20.947 1.00 0.00 C ATOM 398 OD1 ASN A 214 -0.529 28.239 19.938 1.00 0.00 O ATOM 399 ND2 ASN A 214 -1.514 26.837 21.369 1.00 0.00 N ATOM 0 H ASN A 214 1.670 28.982 20.150 1.00 0.00 H new ATOM 0 HA ASN A 214 1.106 29.071 22.880 1.00 0.00 H new ATOM 0 HB2 ASN A 214 1.480 26.682 20.990 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.629 26.617 22.521 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.394 26.875 20.854 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.438 26.262 22.208 1.00 0.00 H new ATOM 406 N PRO A 215 2.868 27.553 24.129 1.00 0.00 N ATOM 407 CA PRO A 215 3.862 26.726 24.807 1.00 0.00 C ATOM 408 C PRO A 215 3.546 25.218 24.645 1.00 0.00 C ATOM 409 O PRO A 215 4.191 24.398 25.297 1.00 0.00 O ATOM 410 CB PRO A 215 3.758 27.160 26.274 1.00 0.00 C ATOM 411 CG PRO A 215 2.262 27.426 26.437 1.00 0.00 C ATOM 412 CD PRO A 215 1.870 28.020 25.084 1.00 0.00 C ATOM 0 HA PRO A 215 4.864 26.856 24.399 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.108 26.382 26.953 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.353 28.051 26.476 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.710 26.511 26.651 1.00 0.00 H new ATOM 0 HG3 PRO A 215 2.062 28.118 27.255 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.871 27.697 24.792 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.853 29.109 25.127 1.00 0.00 H new ATOM 420 N ASP A 216 2.551 24.853 23.811 1.00 0.00 N ATOM 421 CA ASP A 216 1.966 23.510 23.749 1.00 0.00 C ATOM 422 C ASP A 216 1.550 23.048 22.336 1.00 0.00 C ATOM 423 O ASP A 216 1.254 21.867 22.157 1.00 0.00 O ATOM 424 CB ASP A 216 0.759 23.517 24.707 1.00 0.00 C ATOM 425 CG ASP A 216 0.082 22.154 24.858 1.00 0.00 C ATOM 426 OD1 ASP A 216 0.714 21.263 25.466 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.064 22.033 24.370 1.00 0.00 O ATOM 0 H ASP A 216 2.127 25.503 23.149 1.00 0.00 H new ATOM 0 HA ASP A 216 2.727 22.787 24.042 1.00 0.00 H new ATOM 0 HB2 ASP A 216 1.088 23.859 25.688 1.00 0.00 H new ATOM 0 HB3 ASP A 216 0.026 24.239 24.347 1.00 0.00 H new ATOM 432 N CYS A 217 1.533 23.937 21.328 1.00 0.00 N ATOM 433 CA CYS A 217 1.163 23.598 19.955 1.00 0.00 C ATOM 434 C CYS A 217 2.116 22.547 19.389 1.00 0.00 C ATOM 435 O CYS A 217 3.335 22.647 19.509 1.00 0.00 O ATOM 436 CB CYS A 217 1.087 24.849 19.071 1.00 0.00 C ATOM 437 SG CYS A 217 0.399 24.477 17.434 1.00 0.00 S ATOM 0 H CYS A 217 1.779 24.919 21.451 1.00 0.00 H new ATOM 0 HA CYS A 217 0.163 23.164 19.964 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.471 25.603 19.561 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.084 25.275 18.958 1.00 0.00 H new ATOM 0 HG CYS A 217 0.526 25.516 16.663 1.00 0.00 H new ATOM 443 N SER A 218 1.500 21.550 18.755 1.00 0.00 N ATOM 444 CA SER A 218 2.139 20.340 18.242 1.00 0.00 C ATOM 445 C SER A 218 2.155 20.331 16.701 1.00 0.00 C ATOM 446 O SER A 218 2.425 19.303 16.083 1.00 0.00 O ATOM 447 CB SER A 218 1.417 19.127 18.847 1.00 0.00 C ATOM 448 OG SER A 218 2.191 17.955 18.702 1.00 0.00 O ATOM 0 H SER A 218 0.496 21.565 18.577 1.00 0.00 H new ATOM 0 HA SER A 218 3.187 20.302 18.540 1.00 0.00 H new ATOM 0 HB2 SER A 218 1.218 19.307 19.903 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.452 18.993 18.359 1.00 0.00 H new ATOM 0 HG SER A 218 2.572 17.924 17.800 1.00 0.00 H new ATOM 454 N ILE A 219 1.882 21.495 16.088 1.00 0.00 N ATOM 455 CA ILE A 219 1.987 21.738 14.652 1.00 0.00 C ATOM 456 C ILE A 219 2.953 22.915 14.423 1.00 0.00 C ATOM 457 O ILE A 219 3.825 22.805 13.564 1.00 0.00 O ATOM 458 CB ILE A 219 0.582 21.952 14.033 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.351 20.750 14.320 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.677 22.197 12.513 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.753 20.884 13.714 1.00 0.00 C ATOM 0 H ILE A 219 1.571 22.318 16.604 1.00 0.00 H new ATOM 0 HA ILE A 219 2.401 20.870 14.139 1.00 0.00 H new ATOM 0 HB ILE A 219 0.154 22.837 14.503 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.114 19.843 13.934 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -0.444 20.626 15.399 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.323 22.344 12.105 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.280 23.085 12.325 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.141 21.335 12.034 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -2.342 20.001 13.961 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -2.241 21.771 14.118 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -1.674 20.976 12.631 1.00 0.00 H new ATOM 473 N GLU A 220 2.837 23.967 15.259 1.00 0.00 N ATOM 474 CA GLU A 220 3.671 25.170 15.432 1.00 0.00 C ATOM 475 C GLU A 220 4.109 25.979 14.190 1.00 0.00 C ATOM 476 O GLU A 220 4.624 27.078 14.380 1.00 0.00 O ATOM 477 CB GLU A 220 4.869 24.863 16.351 1.00 0.00 C ATOM 478 CG GLU A 220 5.931 23.953 15.713 1.00 0.00 C ATOM 479 CD GLU A 220 7.238 23.976 16.505 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.274 23.318 17.568 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.179 24.654 16.035 1.00 0.00 O ATOM 0 H GLU A 220 2.054 23.994 15.912 1.00 0.00 H new ATOM 0 HA GLU A 220 2.970 25.867 15.892 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.339 25.802 16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.502 24.392 17.263 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.553 22.932 15.662 1.00 0.00 H new ATOM 0 HG3 GLU A 220 6.119 24.275 14.689 1.00 0.00 H new ATOM 488 N TRP A 221 3.887 25.510 12.956 1.00 0.00 N ATOM 489 CA TRP A 221 4.068 26.235 11.711 1.00 0.00 C ATOM 490 C TRP A 221 2.928 25.908 10.760 1.00 0.00 C ATOM 491 O TRP A 221 2.523 24.756 10.622 1.00 0.00 O ATOM 492 CB TRP A 221 5.349 25.796 11.032 1.00 0.00 C ATOM 493 CG TRP A 221 6.589 26.446 11.511 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.555 25.860 12.244 1.00 0.00 C ATOM 495 CD2 TRP A 221 7.025 27.813 11.265 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.587 26.750 12.425 1.00 0.00 N ATOM 497 CE2 TRP A 221 8.336 27.956 11.796 1.00 0.00 C ATOM 498 CE3 TRP A 221 6.457 28.933 10.619 1.00 0.00 C ATOM 499 CZ2 TRP A 221 9.077 29.131 11.618 1.00 0.00 C ATOM 500 CZ3 TRP A 221 7.169 30.141 10.501 1.00 0.00 C ATOM 501 CH2 TRP A 221 8.487 30.233 10.978 1.00 0.00 C ATOM 0 H TRP A 221 3.557 24.557 12.801 1.00 0.00 H new ATOM 0 HA TRP A 221 4.099 27.300 11.941 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.454 24.719 11.159 1.00 0.00 H new ATOM 0 HB3 TRP A 221 5.253 25.983 9.962 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.524 24.851 12.628 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.433 26.546 12.957 1.00 0.00 H new ATOM 0 HE3 TRP A 221 5.460 28.861 10.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 10.096 29.189 11.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.701 31.000 10.043 1.00 0.00 H new ATOM 0 HH2 TRP A 221 9.045 31.149 10.853 1.00 0.00 H new ATOM 512 N PHE A 222 2.418 26.961 10.124 1.00 0.00 N ATOM 513 CA PHE A 222 1.191 26.964 9.338 1.00 0.00 C ATOM 514 C PHE A 222 1.378 27.863 8.121 1.00 0.00 C ATOM 515 O PHE A 222 2.225 28.759 8.111 1.00 0.00 O ATOM 516 CB PHE A 222 -0.010 27.482 10.167 1.00 0.00 C ATOM 517 CG PHE A 222 -0.518 26.569 11.273 1.00 0.00 C ATOM 518 CD1 PHE A 222 0.340 26.209 12.322 1.00 0.00 C ATOM 519 CD2 PHE A 222 -1.855 26.116 11.307 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.079 25.338 13.325 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.316 25.357 12.405 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.421 24.999 13.429 1.00 0.00 C ATOM 0 H PHE A 222 2.871 27.875 10.145 1.00 0.00 H new ATOM 0 HA PHE A 222 0.981 25.940 9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.271 28.436 10.614 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.835 27.681 9.483 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.341 26.613 12.353 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.525 26.350 10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.638 24.927 14.020 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.351 25.053 12.458 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.777 24.461 14.295 1.00 0.00 H new ATOM 532 N HIS A 223 0.548 27.634 7.101 1.00 0.00 N ATOM 533 CA HIS A 223 0.447 28.535 5.962 1.00 0.00 C ATOM 534 C HIS A 223 -0.402 29.733 6.362 1.00 0.00 C ATOM 535 O HIS A 223 -1.342 29.608 7.150 1.00 0.00 O ATOM 536 CB HIS A 223 -0.166 27.828 4.739 1.00 0.00 C ATOM 537 CG HIS A 223 0.595 26.645 4.177 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.354 26.069 2.928 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.671 26.019 4.735 1.00 0.00 C ATOM 540 CE1 HIS A 223 1.357 25.203 2.718 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.151 25.137 3.799 1.00 0.00 N ATOM 0 H HIS A 223 -0.068 26.823 7.046 1.00 0.00 H new ATOM 0 HA HIS A 223 1.447 28.863 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.167 27.490 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.282 28.565 3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 223 2.069 26.186 5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.505 24.639 1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.968 24.536 3.906 1.00 0.00 H new ATOM 549 N PHE A 224 -0.078 30.886 5.769 1.00 0.00 N ATOM 550 CA PHE A 224 -0.945 32.063 5.837 1.00 0.00 C ATOM 551 C PHE A 224 -2.359 31.691 5.415 1.00 0.00 C ATOM 552 O PHE A 224 -3.299 31.923 6.161 1.00 0.00 O ATOM 553 CB PHE A 224 -0.438 33.190 4.922 1.00 0.00 C ATOM 554 CG PHE A 224 0.784 33.980 5.337 1.00 0.00 C ATOM 555 CD1 PHE A 224 1.486 33.715 6.529 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.239 34.993 4.469 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.685 34.393 6.791 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.455 35.648 4.723 1.00 0.00 C ATOM 559 CZ PHE A 224 3.205 35.297 5.855 1.00 0.00 C ATOM 0 H PHE A 224 0.780 31.028 5.236 1.00 0.00 H new ATOM 0 HA PHE A 224 -0.937 32.417 6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.231 32.752 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.256 33.897 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 224 1.103 32.994 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.651 35.266 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 224 3.210 34.218 7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.810 36.416 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 224 4.185 35.724 6.006 1.00 0.00 H new ATOM 569 N ALA A 225 -2.497 31.049 4.258 1.00 0.00 N ATOM 570 CA ALA A 225 -3.784 30.690 3.699 1.00 0.00 C ATOM 571 C ALA A 225 -4.481 29.548 4.454 1.00 0.00 C ATOM 572 O ALA A 225 -5.679 29.358 4.247 1.00 0.00 O ATOM 573 CB ALA A 225 -3.603 30.342 2.218 1.00 0.00 C ATOM 0 H ALA A 225 -1.706 30.763 3.681 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.443 31.551 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.567 30.070 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.199 31.205 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -2.914 29.503 2.123 1.00 0.00 H new ATOM 579 N CYS A 226 -3.787 28.812 5.345 1.00 0.00 N ATOM 580 CA CYS A 226 -4.404 27.825 6.206 1.00 0.00 C ATOM 581 C CYS A 226 -5.123 28.458 7.412 1.00 0.00 C ATOM 582 O CYS A 226 -5.851 27.749 8.104 1.00 0.00 O ATOM 583 CB CYS A 226 -3.302 26.870 6.646 1.00 0.00 C ATOM 584 SG CYS A 226 -3.091 25.548 5.416 1.00 0.00 S ATOM 0 H CYS A 226 -2.779 28.898 5.476 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.184 27.293 5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.366 27.415 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.550 26.439 7.616 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.824 25.325 5.232 1.00 0.00 H new ATOM 590 N VAL A 227 -4.965 29.776 7.625 1.00 0.00 N ATOM 591 CA VAL A 227 -5.704 30.594 8.591 1.00 0.00 C ATOM 592 C VAL A 227 -6.464 31.745 7.915 1.00 0.00 C ATOM 593 O VAL A 227 -7.335 32.364 8.526 1.00 0.00 O ATOM 594 CB VAL A 227 -4.745 31.070 9.703 1.00 0.00 C ATOM 595 CG1 VAL A 227 -3.677 32.072 9.251 1.00 0.00 C ATOM 596 CG2 VAL A 227 -5.489 31.637 10.922 1.00 0.00 C ATOM 0 H VAL A 227 -4.283 30.323 7.099 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.477 29.982 9.055 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.223 30.156 9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.053 32.347 10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.057 31.619 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.160 32.964 8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -4.766 31.957 11.673 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.094 32.490 10.615 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.135 30.867 11.344 1.00 0.00 H new ATOM 606 N GLY A 228 -6.147 31.997 6.643 1.00 0.00 N ATOM 607 CA GLY A 228 -6.764 33.011 5.798 1.00 0.00 C ATOM 608 C GLY A 228 -6.003 34.341 5.789 1.00 0.00 C ATOM 609 O GLY A 228 -6.595 35.356 5.424 1.00 0.00 O ATOM 0 H GLY A 228 -5.420 31.474 6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -6.831 32.632 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.784 33.187 6.140 1.00 0.00 H new ATOM 613 N LEU A 229 -4.724 34.357 6.203 1.00 0.00 N ATOM 614 CA LEU A 229 -3.886 35.550 6.168 1.00 0.00 C ATOM 615 C LEU A 229 -3.490 35.912 4.730 1.00 0.00 C ATOM 616 O LEU A 229 -3.478 35.065 3.835 1.00 0.00 O ATOM 617 CB LEU A 229 -2.636 35.367 7.053 1.00 0.00 C ATOM 618 CG LEU A 229 -2.863 35.670 8.547 1.00 0.00 C ATOM 619 CD1 LEU A 229 -1.641 35.199 9.348 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.081 37.167 8.819 1.00 0.00 C ATOM 0 H LEU A 229 -4.248 33.534 6.572 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.470 36.379 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.282 34.341 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -1.843 36.016 6.680 1.00 0.00 H new ATOM 0 HG LEU A 229 -3.765 35.140 8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -1.796 35.411 10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -1.506 34.126 9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -0.752 35.725 8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.236 37.324 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.205 37.727 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -3.957 37.513 8.271 1.00 0.00 H new ATOM 632 N THR A 230 -3.128 37.189 4.550 1.00 0.00 N ATOM 633 CA THR A 230 -2.763 37.805 3.269 1.00 0.00 C ATOM 634 C THR A 230 -1.494 38.669 3.409 1.00 0.00 C ATOM 635 O THR A 230 -0.830 38.942 2.410 1.00 0.00 O ATOM 636 CB THR A 230 -3.963 38.634 2.755 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.115 37.821 2.659 1.00 0.00 O ATOM 638 CG2 THR A 230 -3.737 39.268 1.377 1.00 0.00 C ATOM 0 H THR A 230 -3.080 37.848 5.327 1.00 0.00 H new ATOM 0 HA THR A 230 -2.531 37.026 2.543 1.00 0.00 H new ATOM 0 HB THR A 230 -4.087 39.436 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 230 -5.868 38.358 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.623 39.832 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 230 -2.878 39.938 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.549 38.485 0.643 1.00 0.00 H new ATOM 646 N THR A 231 -1.128 39.057 4.641 1.00 0.00 N ATOM 647 CA THR A 231 0.060 39.843 4.970 1.00 0.00 C ATOM 648 C THR A 231 0.595 39.343 6.314 1.00 0.00 C ATOM 649 O THR A 231 -0.186 39.061 7.224 1.00 0.00 O ATOM 650 CB THR A 231 -0.301 41.342 5.043 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.888 41.778 3.833 1.00 0.00 O ATOM 652 CG2 THR A 231 0.921 42.227 5.318 1.00 0.00 C ATOM 0 H THR A 231 -1.679 38.819 5.466 1.00 0.00 H new ATOM 0 HA THR A 231 0.824 39.726 4.202 1.00 0.00 H new ATOM 0 HB THR A 231 -1.004 41.440 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.110 42.730 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.612 43.271 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 231 1.369 41.943 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 231 1.652 42.096 4.520 1.00 0.00 H new ATOM 660 N LYS A 232 1.927 39.239 6.434 1.00 0.00 N ATOM 661 CA LYS A 232 2.589 38.705 7.617 1.00 0.00 C ATOM 662 C LYS A 232 2.461 39.680 8.804 1.00 0.00 C ATOM 663 O LYS A 232 2.917 40.819 8.689 1.00 0.00 O ATOM 664 CB LYS A 232 4.067 38.426 7.296 1.00 0.00 C ATOM 665 CG LYS A 232 4.683 37.515 8.368 1.00 0.00 C ATOM 666 CD LYS A 232 6.139 37.155 8.050 1.00 0.00 C ATOM 667 CE LYS A 232 6.710 36.181 9.087 1.00 0.00 C ATOM 668 NZ LYS A 232 6.812 36.793 10.426 1.00 0.00 N ATOM 0 H LYS A 232 2.575 39.528 5.701 1.00 0.00 H new ATOM 0 HA LYS A 232 2.105 37.771 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 232 4.151 37.955 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 232 4.619 39.365 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 232 4.636 38.012 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 232 4.094 36.602 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 232 6.197 36.708 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.744 38.062 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 232 6.076 35.296 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 232 7.696 35.847 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 7.310 36.144 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.339 37.687 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 5.858 36.980 10.796 1.00 0.00 H new ATOM 682 N PRO A 233 1.891 39.258 9.952 1.00 0.00 N ATOM 683 CA PRO A 233 1.852 40.051 11.179 1.00 0.00 C ATOM 684 C PRO A 233 3.176 39.950 11.963 1.00 0.00 C ATOM 685 O PRO A 233 4.098 39.231 11.571 1.00 0.00 O ATOM 686 CB PRO A 233 0.682 39.454 11.972 1.00 0.00 C ATOM 687 CG PRO A 233 0.771 37.970 11.630 1.00 0.00 C ATOM 688 CD PRO A 233 1.216 37.984 10.167 1.00 0.00 C ATOM 0 HA PRO A 233 1.721 41.115 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 233 0.786 39.630 13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -0.273 39.883 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 233 1.488 37.451 12.266 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -0.188 37.468 11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.886 37.150 9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.360 37.881 9.500 1.00 0.00 H new ATOM 696 N ARG A 234 3.237 40.642 13.110 1.00 0.00 N ATOM 697 CA ARG A 234 4.293 40.521 14.103 1.00 0.00 C ATOM 698 C ARG A 234 3.634 40.567 15.482 1.00 0.00 C ATOM 699 O ARG A 234 2.761 41.396 15.743 1.00 0.00 O ATOM 700 CB ARG A 234 5.308 41.662 13.954 1.00 0.00 C ATOM 701 CG ARG A 234 6.634 41.360 14.681 1.00 0.00 C ATOM 702 CD ARG A 234 7.311 42.616 15.241 1.00 0.00 C ATOM 703 NE ARG A 234 7.610 43.614 14.202 1.00 0.00 N ATOM 704 CZ ARG A 234 8.018 44.870 14.438 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.211 45.322 15.681 1.00 0.00 N ATOM 706 NH2 ARG A 234 8.239 45.693 13.414 1.00 0.00 N ATOM 0 H ARG A 234 2.524 41.322 13.373 1.00 0.00 H new ATOM 0 HA ARG A 234 4.834 39.584 13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 234 5.506 41.834 12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 234 4.879 42.582 14.351 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.444 40.662 15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 234 7.316 40.864 13.990 1.00 0.00 H new ATOM 0 HD2 ARG A 234 6.665 43.066 15.995 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.236 42.332 15.742 1.00 0.00 H new ATOM 0 HE ARG A 234 7.499 43.329 13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.048 44.707 16.478 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.522 46.282 15.832 1.00 0.00 H new ATOM 0 HH21 ARG A 234 8.098 45.367 12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.549 46.649 13.586 1.00 0.00 H new ATOM 720 N GLY A 235 4.087 39.662 16.346 1.00 0.00 N ATOM 721 CA GLY A 235 3.599 39.475 17.706 1.00 0.00 C ATOM 722 C GLY A 235 2.966 38.097 17.896 1.00 0.00 C ATOM 723 O GLY A 235 2.993 37.251 16.999 1.00 0.00 O ATOM 0 H GLY A 235 4.836 39.013 16.105 1.00 0.00 H new ATOM 0 HA2 GLY A 235 4.424 39.596 18.408 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.866 40.247 17.939 1.00 0.00 H new ATOM 727 N LYS A 236 2.392 37.888 19.087 1.00 0.00 N ATOM 728 CA LYS A 236 1.681 36.679 19.466 1.00 0.00 C ATOM 729 C LYS A 236 0.452 36.461 18.578 1.00 0.00 C ATOM 730 O LYS A 236 -0.444 37.300 18.493 1.00 0.00 O ATOM 731 CB LYS A 236 1.345 36.701 20.968 1.00 0.00 C ATOM 732 CG LYS A 236 0.487 37.881 21.462 1.00 0.00 C ATOM 733 CD LYS A 236 0.440 37.959 22.998 1.00 0.00 C ATOM 734 CE LYS A 236 -0.139 36.707 23.671 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.570 36.525 23.364 1.00 0.00 N ATOM 0 H LYS A 236 2.415 38.584 19.832 1.00 0.00 H new ATOM 0 HA LYS A 236 2.330 35.819 19.301 1.00 0.00 H new ATOM 0 HB2 LYS A 236 0.826 35.775 21.215 1.00 0.00 H new ATOM 0 HB3 LYS A 236 2.281 36.702 21.527 1.00 0.00 H new ATOM 0 HG2 LYS A 236 0.889 38.813 21.064 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -0.526 37.780 21.073 1.00 0.00 H new ATOM 0 HD2 LYS A 236 1.449 38.127 23.374 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -0.156 38.824 23.289 1.00 0.00 H new ATOM 0 HE2 LYS A 236 0.417 35.829 23.342 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.007 36.782 24.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -1.921 35.668 23.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -2.105 37.351 23.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -1.695 36.427 22.336 1.00 0.00 H new ATOM 749 N TRP A 237 0.441 35.293 17.936 1.00 0.00 N ATOM 750 CA TRP A 237 -0.596 34.784 17.060 1.00 0.00 C ATOM 751 C TRP A 237 -0.898 33.339 17.451 1.00 0.00 C ATOM 752 O TRP A 237 -0.001 32.561 17.777 1.00 0.00 O ATOM 753 CB TRP A 237 -0.101 34.868 15.613 1.00 0.00 C ATOM 754 CG TRP A 237 -0.911 34.128 14.594 1.00 0.00 C ATOM 755 CD1 TRP A 237 -1.936 34.607 13.866 1.00 0.00 C ATOM 756 CD2 TRP A 237 -0.757 32.745 14.176 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.445 33.610 13.051 1.00 0.00 N ATOM 758 CE2 TRP A 237 -1.747 32.425 13.203 1.00 0.00 C ATOM 759 CE3 TRP A 237 0.152 31.739 14.534 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -1.843 31.138 12.638 1.00 0.00 C ATOM 761 CZ3 TRP A 237 0.057 30.457 13.977 1.00 0.00 C ATOM 762 CH2 TRP A 237 -0.944 30.141 13.063 1.00 0.00 C ATOM 0 H TRP A 237 1.216 34.636 18.026 1.00 0.00 H new ATOM 0 HA TRP A 237 -1.510 35.371 17.152 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.063 35.918 15.324 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.921 34.491 15.578 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.307 35.620 13.911 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.235 33.734 12.418 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.934 31.955 15.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -2.593 30.920 11.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.773 29.701 14.262 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.031 29.135 12.681 1.00 0.00 H new ATOM 773 N PHE A 238 -2.181 32.986 17.363 1.00 0.00 N ATOM 774 CA PHE A 238 -2.703 31.678 17.723 1.00 0.00 C ATOM 775 C PHE A 238 -3.504 31.123 16.550 1.00 0.00 C ATOM 776 O PHE A 238 -4.393 31.778 16.005 1.00 0.00 O ATOM 777 CB PHE A 238 -3.520 31.773 19.019 1.00 0.00 C ATOM 778 CG PHE A 238 -2.650 31.907 20.258 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.120 33.161 20.624 1.00 0.00 C ATOM 780 CD2 PHE A 238 -2.324 30.766 21.018 1.00 0.00 C ATOM 781 CE1 PHE A 238 -1.256 33.265 21.728 1.00 0.00 C ATOM 782 CE2 PHE A 238 -1.466 30.873 22.126 1.00 0.00 C ATOM 783 CZ PHE A 238 -0.927 32.122 22.477 1.00 0.00 C ATOM 0 H PHE A 238 -2.902 33.625 17.029 1.00 0.00 H new ATOM 0 HA PHE A 238 -1.889 30.981 17.924 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.191 32.630 18.958 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.145 30.885 19.114 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.378 34.042 20.056 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -2.735 29.805 20.748 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -0.844 34.225 22.001 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -1.221 29.996 22.707 1.00 0.00 H new ATOM 0 HZ PHE A 238 -0.260 32.204 23.322 1.00 0.00 H new ATOM 793 N CYS A 239 -3.121 29.901 16.168 1.00 0.00 N ATOM 794 CA CYS A 239 -3.572 29.173 14.992 1.00 0.00 C ATOM 795 C CYS A 239 -5.088 28.885 14.975 1.00 0.00 C ATOM 796 O CYS A 239 -5.758 29.097 15.988 1.00 0.00 O ATOM 797 CB CYS A 239 -2.678 27.930 14.897 1.00 0.00 C ATOM 798 SG CYS A 239 -3.225 26.596 15.992 1.00 0.00 S ATOM 0 H CYS A 239 -2.444 29.365 16.711 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.463 29.780 14.093 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.670 27.570 13.868 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.653 28.204 15.147 1.00 0.00 H new ATOM 0 HG CYS A 239 -2.669 25.479 15.627 1.00 0.00 H new ATOM 804 N PRO A 240 -5.659 28.417 13.843 1.00 0.00 N ATOM 805 CA PRO A 240 -7.105 28.300 13.683 1.00 0.00 C ATOM 806 C PRO A 240 -7.763 27.166 14.485 1.00 0.00 C ATOM 807 O PRO A 240 -8.982 27.025 14.415 1.00 0.00 O ATOM 808 CB PRO A 240 -7.361 28.164 12.178 1.00 0.00 C ATOM 809 CG PRO A 240 -6.066 27.556 11.656 1.00 0.00 C ATOM 810 CD PRO A 240 -4.999 28.141 12.575 1.00 0.00 C ATOM 0 HA PRO A 240 -7.576 29.190 14.101 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.218 27.523 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.567 29.130 11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.085 26.467 11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -5.889 27.824 10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.175 27.440 12.710 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.577 29.052 12.150 1.00 0.00 H new ATOM 818 N ARG A 241 -6.989 26.406 15.276 1.00 0.00 N ATOM 819 CA ARG A 241 -7.477 25.424 16.238 1.00 0.00 C ATOM 820 C ARG A 241 -7.089 25.785 17.680 1.00 0.00 C ATOM 821 O ARG A 241 -7.143 24.941 18.574 1.00 0.00 O ATOM 822 CB ARG A 241 -7.036 24.008 15.836 1.00 0.00 C ATOM 823 CG ARG A 241 -7.597 23.598 14.461 1.00 0.00 C ATOM 824 CD ARG A 241 -7.828 22.086 14.366 1.00 0.00 C ATOM 825 NE ARG A 241 -8.956 21.683 15.221 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.392 20.437 15.439 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.808 19.376 14.876 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.438 20.261 16.245 1.00 0.00 N ATOM 0 H ARG A 241 -5.971 26.466 15.257 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.567 25.441 16.216 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.947 23.960 15.812 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.370 23.296 16.591 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.536 24.121 14.282 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.905 23.909 13.679 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -8.030 21.807 13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.926 21.554 14.669 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.458 22.432 15.697 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.005 19.503 14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.165 18.439 15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -10.888 21.066 16.680 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.789 19.321 16.427 1.00 0.00 H new ATOM 842 N CYS A 242 -6.715 27.051 17.904 1.00 0.00 N ATOM 843 CA CYS A 242 -6.293 27.611 19.169 1.00 0.00 C ATOM 844 C CYS A 242 -6.964 28.958 19.476 1.00 0.00 C ATOM 845 O CYS A 242 -6.904 29.407 20.620 1.00 0.00 O ATOM 846 CB CYS A 242 -4.783 27.809 19.087 1.00 0.00 C ATOM 847 SG CYS A 242 -3.921 26.235 19.342 1.00 0.00 S ATOM 0 H CYS A 242 -6.702 27.743 17.155 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.580 26.930 19.970 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.517 28.223 18.114 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.464 28.531 19.839 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.371 25.856 18.227 1.00 0.00 H new ATOM 853 N SER A 243 -7.600 29.591 18.480 1.00 0.00 N ATOM 854 CA SER A 243 -8.324 30.850 18.641 1.00 0.00 C ATOM 855 C SER A 243 -9.528 30.951 17.696 1.00 0.00 C ATOM 856 O SER A 243 -10.540 31.538 18.080 1.00 0.00 O ATOM 857 CB SER A 243 -7.342 32.005 18.398 1.00 0.00 C ATOM 858 OG SER A 243 -7.955 33.257 18.623 1.00 0.00 O ATOM 0 H SER A 243 -7.623 29.232 17.525 1.00 0.00 H new ATOM 0 HA SER A 243 -8.725 30.900 19.653 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.480 31.896 19.056 1.00 0.00 H new ATOM 0 HB3 SER A 243 -6.970 31.959 17.375 1.00 0.00 H new ATOM 0 HG SER A 243 -7.305 33.973 18.462 1.00 0.00 H new ATOM 864 N GLN A 244 -9.441 30.371 16.489 1.00 0.00 N ATOM 865 CA GLN A 244 -10.483 30.524 15.465 1.00 0.00 C ATOM 866 C GLN A 244 -11.619 29.490 15.590 1.00 0.00 C ATOM 867 O GLN A 244 -12.677 29.700 14.997 1.00 0.00 O ATOM 868 CB GLN A 244 -9.849 30.509 14.065 1.00 0.00 C ATOM 869 CG GLN A 244 -10.713 31.153 12.966 1.00 0.00 C ATOM 870 CD GLN A 244 -11.075 30.148 11.873 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.303 29.925 10.945 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.246 29.521 11.981 1.00 0.00 N ATOM 0 H GLN A 244 -8.655 29.789 16.199 1.00 0.00 H new ATOM 0 HA GLN A 244 -10.957 31.492 15.629 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -8.892 31.028 14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -9.639 29.476 13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.625 31.555 13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -10.176 31.993 12.525 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -12.865 29.729 12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -12.523 28.833 11.280 1.00 0.00 H new ATOM 881 N GLU A 245 -11.452 28.416 16.385 1.00 0.00 N ATOM 882 CA GLU A 245 -12.555 27.509 16.735 1.00 0.00 C ATOM 883 C GLU A 245 -13.556 28.148 17.722 1.00 0.00 C ATOM 884 O GLU A 245 -14.556 27.515 18.062 1.00 0.00 O ATOM 885 CB GLU A 245 -12.018 26.155 17.244 1.00 0.00 C ATOM 886 CG GLU A 245 -11.632 25.239 16.071 1.00 0.00 C ATOM 887 CD GLU A 245 -11.247 23.831 16.531 1.00 0.00 C ATOM 888 OE1 GLU A 245 -10.167 23.694 17.143 1.00 0.00 O ATOM 889 OE2 GLU A 245 -12.018 22.891 16.236 1.00 0.00 O ATOM 0 H GLU A 245 -10.556 28.157 16.798 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.117 27.318 15.821 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.150 26.321 17.882 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.775 25.667 17.857 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -12.468 25.175 15.374 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -10.797 25.682 15.528 1.00 0.00 H new ATOM 896 N ARG A 246 -13.326 29.400 18.156 1.00 0.00 N ATOM 897 CA ARG A 246 -14.306 30.198 18.887 1.00 0.00 C ATOM 898 C ARG A 246 -15.508 30.442 17.963 1.00 0.00 C ATOM 899 O ARG A 246 -15.344 30.987 16.871 1.00 0.00 O ATOM 900 CB ARG A 246 -13.655 31.515 19.338 1.00 0.00 C ATOM 901 CG ARG A 246 -14.607 32.359 20.201 1.00 0.00 C ATOM 902 CD ARG A 246 -13.959 33.668 20.665 1.00 0.00 C ATOM 903 NE ARG A 246 -13.703 34.581 19.540 1.00 0.00 N ATOM 904 CZ ARG A 246 -13.271 35.847 19.643 1.00 0.00 C ATOM 905 NH1 ARG A 246 -13.022 36.408 20.829 1.00 0.00 N ATOM 906 NH2 ARG A 246 -13.084 36.566 18.537 1.00 0.00 N ATOM 0 H ARG A 246 -12.442 29.885 18.003 1.00 0.00 H new ATOM 0 HA ARG A 246 -14.651 29.679 19.781 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.749 31.297 19.904 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -13.353 32.089 18.462 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -15.509 32.584 19.631 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -14.916 31.780 21.071 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -14.609 34.158 21.390 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -13.021 33.448 21.175 1.00 0.00 H new ATOM 0 HE ARG A 246 -13.868 34.220 18.600 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -13.159 35.872 21.686 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -12.694 37.373 20.878 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -13.269 36.153 17.623 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -12.756 37.529 18.604 1.00 0.00 H new ATOM 920 N LYS A 247 -16.703 30.033 18.416 1.00 0.00 N ATOM 921 CA LYS A 247 -17.935 29.973 17.625 1.00 0.00 C ATOM 922 C LYS A 247 -17.721 29.269 16.270 1.00 0.00 C ATOM 923 O LYS A 247 -17.975 29.841 15.209 1.00 0.00 O ATOM 924 CB LYS A 247 -18.588 31.365 17.520 1.00 0.00 C ATOM 925 CG LYS A 247 -20.080 31.251 17.152 1.00 0.00 C ATOM 926 CD LYS A 247 -20.715 32.595 16.773 1.00 0.00 C ATOM 927 CE LYS A 247 -20.192 33.090 15.420 1.00 0.00 C ATOM 928 NZ LYS A 247 -20.880 34.322 14.993 1.00 0.00 N ATOM 0 H LYS A 247 -16.839 29.724 19.379 1.00 0.00 H new ATOM 0 HA LYS A 247 -18.653 29.343 18.151 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -18.483 31.892 18.469 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -18.069 31.958 16.767 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -20.190 30.557 16.319 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -20.624 30.825 17.995 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -21.799 32.490 16.731 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -20.496 33.334 17.544 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -19.120 33.276 15.489 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -20.333 32.314 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -20.502 34.630 14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -21.900 34.137 14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -20.724 35.069 15.699 1.00 0.00 H new ATOM 942 N LYS A 248 -17.219 28.025 16.322 1.00 0.00 N ATOM 943 CA LYS A 248 -17.092 27.131 15.170 1.00 0.00 C ATOM 944 C LYS A 248 -18.465 26.957 14.498 1.00 0.00 C ATOM 945 O LYS A 248 -19.466 26.790 15.195 1.00 0.00 O ATOM 946 CB LYS A 248 -16.505 25.798 15.660 1.00 0.00 C ATOM 947 CG LYS A 248 -16.003 24.896 14.526 1.00 0.00 C ATOM 948 CD LYS A 248 -15.362 23.633 15.116 1.00 0.00 C ATOM 949 CE LYS A 248 -14.755 22.761 14.016 1.00 0.00 C ATOM 950 NZ LYS A 248 -14.059 21.595 14.588 1.00 0.00 N ATOM 0 H LYS A 248 -16.883 27.607 17.190 1.00 0.00 H new ATOM 0 HA LYS A 248 -16.421 27.546 14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -15.680 26.003 16.343 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -17.265 25.263 16.229 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -16.831 24.624 13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -15.277 25.433 13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -14.588 23.914 15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -16.112 23.063 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -15.541 22.424 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -14.056 23.351 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -13.671 21.011 13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -13.284 21.920 15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -14.730 21.030 15.147 1.00 0.00 H new ATOM 964 N LYS A 249 -18.483 26.977 13.154 1.00 0.00 N ATOM 965 CA LYS A 249 -19.680 27.082 12.307 1.00 0.00 C ATOM 966 C LYS A 249 -20.452 28.368 12.651 1.00 0.00 C ATOM 967 O LYS A 249 -21.404 28.303 13.460 1.00 0.00 O ATOM 968 CB LYS A 249 -20.555 25.806 12.334 1.00 0.00 C ATOM 969 CG LYS A 249 -20.203 24.711 11.311 1.00 0.00 C ATOM 970 CD LYS A 249 -18.830 24.045 11.474 1.00 0.00 C ATOM 971 CE LYS A 249 -17.727 24.816 10.742 1.00 0.00 C ATOM 972 NZ LYS A 249 -16.428 24.127 10.842 1.00 0.00 N ATOM 973 OXT LYS A 249 -20.061 29.411 12.084 1.00 0.00 O ATOM 0 H LYS A 249 -17.625 26.918 12.606 1.00 0.00 H new ATOM 0 HA LYS A 249 -19.359 27.159 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -20.495 25.372 13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -21.593 26.100 12.176 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -20.968 23.936 11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -20.256 25.145 10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -18.583 23.978 12.534 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -18.874 23.025 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -17.998 24.933 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -17.642 25.818 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -15.704 24.676 10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -16.158 24.038 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -16.504 23.180 10.418 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -0.024 24.170 4.573 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -0.808 27.204 18.320 1.00 0.00 ZN