USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=18 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 NoAdj-H: A 223 HIS HD1 : A 223 HIS ND1 : A 250 ZNZN :(H bumps) USER MOD Set 1.1: A 212 CYS SG : rot -45:sc= -5.97! USER MOD Set 1.2: A 217 CYS SG : rot -173:sc= 1.73 USER MOD Set 1.3: A 239 CYS SG : rot 145:sc= 0.538 USER MOD Set 1.4: A 242 CYS SG : rot 110:sc= 1.49 USER MOD Set 2.1: A 206 TYR OH : rot 169:sc= 0.228 USER MOD Set 2.2: A 209 MET CE :methyl -143:sc= -0.392 (180deg=-3.71!) USER MOD Set 3.1: A 197 THR OG1 : rot 126:sc= 0.0399 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0.0367 X(o=0.077,f=-0.005) USER MOD Set 4.1: A 199 CYS SG : rot -155:sc= 0.251 USER MOD Set 4.2: A 201 CYS SG : rot 112:sc= 0.163 USER MOD Set 4.3: A 226 CYS SG : rot 135:sc= 0.696 USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 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+ -177:sc= 0 (180deg=-0.00748) 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= 0.44 X(o=0.44,f=-0.015) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 LYS NZ :NH3+ -170:sc= 0.967 (180deg=0.887) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 -2.809 8.581 2.245 1.00 0.00 N ATOM 2 CA MET A 187 -2.580 7.143 2.001 1.00 0.00 C ATOM 3 C MET A 187 -1.543 6.935 0.899 1.00 0.00 C ATOM 4 O MET A 187 -0.499 6.344 1.164 1.00 0.00 O ATOM 5 CB MET A 187 -3.886 6.402 1.673 1.00 0.00 C ATOM 6 CG MET A 187 -4.820 6.334 2.884 1.00 0.00 C ATOM 7 SD MET A 187 -6.342 5.401 2.575 1.00 0.00 S ATOM 8 CE MET A 187 -7.097 5.503 4.218 1.00 0.00 C ATOM 0 HA MET A 187 -2.189 6.716 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 187 -4.393 6.906 0.850 1.00 0.00 H new ATOM 0 HB3 MET A 187 -3.656 5.392 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 187 -4.287 5.878 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 187 -5.081 7.348 3.189 1.00 0.00 H new ATOM 0 HE1 MET A 187 -8.052 4.977 4.213 1.00 0.00 H new ATOM 0 HE2 MET A 187 -6.434 5.045 4.952 1.00 0.00 H new ATOM 0 HE3 MET A 187 -7.260 6.549 4.479 1.00 0.00 H new ATOM 20 N ASP A 188 -1.840 7.410 -0.321 1.00 0.00 N ATOM 21 CA ASP A 188 -1.051 7.177 -1.532 1.00 0.00 C ATOM 22 C ASP A 188 0.392 7.695 -1.435 1.00 0.00 C ATOM 23 O ASP A 188 1.283 7.065 -2.001 1.00 0.00 O ATOM 24 CB ASP A 188 -1.764 7.832 -2.725 1.00 0.00 C ATOM 25 CG ASP A 188 -3.205 7.337 -2.877 1.00 0.00 C ATOM 26 OD1 ASP A 188 -4.083 7.935 -2.214 1.00 0.00 O ATOM 27 OD2 ASP A 188 -3.401 6.362 -3.634 1.00 0.00 O ATOM 0 H ASP A 188 -2.664 7.986 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 188 -0.977 6.098 -1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -1.765 8.914 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -1.210 7.620 -3.639 1.00 0.00 H new ATOM 32 N MET A 189 0.601 8.800 -0.695 1.00 0.00 N ATOM 33 CA MET A 189 1.886 9.423 -0.353 1.00 0.00 C ATOM 34 C MET A 189 2.951 9.299 -1.465 1.00 0.00 C ATOM 35 O MET A 189 3.930 8.571 -1.292 1.00 0.00 O ATOM 36 CB MET A 189 2.366 8.902 1.015 1.00 0.00 C ATOM 37 CG MET A 189 1.401 9.305 2.138 1.00 0.00 C ATOM 38 SD MET A 189 1.900 8.750 3.787 1.00 0.00 S ATOM 39 CE MET A 189 0.543 9.459 4.755 1.00 0.00 C ATOM 0 H MET A 189 -0.182 9.315 -0.293 1.00 0.00 H new ATOM 0 HA MET A 189 1.725 10.498 -0.270 1.00 0.00 H new ATOM 0 HB2 MET A 189 2.455 7.816 0.982 1.00 0.00 H new ATOM 0 HB3 MET A 189 3.360 9.297 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 189 1.306 10.391 2.147 1.00 0.00 H new ATOM 0 HG3 MET A 189 0.414 8.900 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 189 0.682 9.217 5.809 1.00 0.00 H new ATOM 0 HE2 MET A 189 0.534 10.542 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 189 -0.405 9.046 4.410 1.00 0.00 H new ATOM 49 N PRO A 190 2.759 9.969 -2.624 1.00 0.00 N ATOM 50 CA PRO A 190 3.614 9.854 -3.810 1.00 0.00 C ATOM 51 C PRO A 190 4.951 10.621 -3.689 1.00 0.00 C ATOM 52 O PRO A 190 5.550 10.976 -4.704 1.00 0.00 O ATOM 53 CB PRO A 190 2.735 10.373 -4.957 1.00 0.00 C ATOM 54 CG PRO A 190 1.917 11.469 -4.283 1.00 0.00 C ATOM 55 CD PRO A 190 1.644 10.867 -2.906 1.00 0.00 C ATOM 0 HA PRO A 190 3.941 8.826 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 190 3.333 10.763 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 190 2.100 9.588 -5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 190 2.469 12.406 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 190 0.995 11.681 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 190 1.571 11.647 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 190 0.698 10.326 -2.899 1.00 0.00 H new ATOM 63 N VAL A 191 5.417 10.889 -2.459 1.00 0.00 N ATOM 64 CA VAL A 191 6.645 11.602 -2.148 1.00 0.00 C ATOM 65 C VAL A 191 7.249 11.016 -0.867 1.00 0.00 C ATOM 66 O VAL A 191 6.554 10.453 -0.018 1.00 0.00 O ATOM 67 CB VAL A 191 6.364 13.120 -2.051 1.00 0.00 C ATOM 68 CG1 VAL A 191 5.441 13.500 -0.880 1.00 0.00 C ATOM 69 CG2 VAL A 191 7.660 13.943 -1.980 1.00 0.00 C ATOM 0 H VAL A 191 4.916 10.596 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 191 7.380 11.476 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 191 5.838 13.366 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.287 14.579 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.481 12.998 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 191 5.900 13.193 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 191 7.415 15.003 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 191 8.232 13.646 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 191 8.254 13.764 -2.876 1.00 0.00 H new ATOM 79 N ASP A 192 8.570 11.161 -0.767 1.00 0.00 N ATOM 80 CA ASP A 192 9.423 10.659 0.304 1.00 0.00 C ATOM 81 C ASP A 192 9.009 11.169 1.697 1.00 0.00 C ATOM 82 O ASP A 192 8.488 12.280 1.812 1.00 0.00 O ATOM 83 CB ASP A 192 10.869 11.101 0.026 1.00 0.00 C ATOM 84 CG ASP A 192 11.476 10.394 -1.184 1.00 0.00 C ATOM 85 OD1 ASP A 192 11.210 10.858 -2.315 1.00 0.00 O ATOM 86 OD2 ASP A 192 12.203 9.404 -0.951 1.00 0.00 O ATOM 0 H ASP A 192 9.104 11.663 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 192 9.325 9.573 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 192 10.891 12.178 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 192 11.482 10.900 0.905 1.00 0.00 H new ATOM 91 N PRO A 193 9.319 10.413 2.773 1.00 0.00 N ATOM 92 CA PRO A 193 9.196 10.881 4.155 1.00 0.00 C ATOM 93 C PRO A 193 10.274 11.922 4.518 1.00 0.00 C ATOM 94 O PRO A 193 10.215 12.514 5.594 1.00 0.00 O ATOM 95 CB PRO A 193 9.330 9.616 5.010 1.00 0.00 C ATOM 96 CG PRO A 193 10.278 8.745 4.189 1.00 0.00 C ATOM 97 CD PRO A 193 9.879 9.066 2.749 1.00 0.00 C ATOM 0 HA PRO A 193 8.248 11.393 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 193 9.737 9.837 5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 193 8.367 9.130 5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 193 11.322 8.991 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 193 10.152 7.686 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 193 10.742 9.015 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 193 9.148 8.347 2.378 1.00 0.00 H new ATOM 105 N ASN A 194 11.242 12.146 3.616 1.00 0.00 N ATOM 106 CA ASN A 194 12.328 13.117 3.706 1.00 0.00 C ATOM 107 C ASN A 194 11.846 14.519 3.279 1.00 0.00 C ATOM 108 O ASN A 194 12.508 15.196 2.492 1.00 0.00 O ATOM 109 CB ASN A 194 13.496 12.606 2.841 1.00 0.00 C ATOM 110 CG ASN A 194 13.952 11.203 3.249 1.00 0.00 C ATOM 111 OD1 ASN A 194 14.430 10.999 4.361 1.00 0.00 O ATOM 112 ND2 ASN A 194 13.795 10.222 2.361 1.00 0.00 N ATOM 0 H ASN A 194 11.284 11.613 2.747 1.00 0.00 H new ATOM 0 HA ASN A 194 12.670 13.218 4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 194 13.193 12.597 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 194 14.335 13.297 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 194 14.075 9.270 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 194 13.395 10.423 1.445 1.00 0.00 H new ATOM 119 N GLU A 195 10.666 14.932 3.767 1.00 0.00 N ATOM 120 CA GLU A 195 9.949 16.124 3.340 1.00 0.00 C ATOM 121 C GLU A 195 9.418 16.842 4.590 1.00 0.00 C ATOM 122 O GLU A 195 8.458 16.359 5.195 1.00 0.00 O ATOM 123 CB GLU A 195 8.811 15.724 2.382 1.00 0.00 C ATOM 124 CG GLU A 195 8.026 16.949 1.891 1.00 0.00 C ATOM 125 CD GLU A 195 6.856 16.557 0.989 1.00 0.00 C ATOM 126 OE1 GLU A 195 5.843 16.075 1.542 1.00 0.00 O ATOM 127 OE2 GLU A 195 6.983 16.768 -0.236 1.00 0.00 O ATOM 0 H GLU A 195 10.174 14.419 4.498 1.00 0.00 H new ATOM 0 HA GLU A 195 10.607 16.804 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 195 9.226 15.191 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.134 15.036 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 195 7.651 17.507 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 195 8.696 17.614 1.347 1.00 0.00 H new ATOM 134 N PRO A 196 10.006 17.987 4.991 1.00 0.00 N ATOM 135 CA PRO A 196 9.439 18.827 6.035 1.00 0.00 C ATOM 136 C PRO A 196 8.203 19.562 5.497 1.00 0.00 C ATOM 137 O PRO A 196 8.111 19.848 4.302 1.00 0.00 O ATOM 138 CB PRO A 196 10.558 19.796 6.423 1.00 0.00 C ATOM 139 CG PRO A 196 11.345 19.962 5.124 1.00 0.00 C ATOM 140 CD PRO A 196 11.214 18.597 4.448 1.00 0.00 C ATOM 0 HA PRO A 196 9.103 18.258 6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.161 20.747 6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.180 19.393 7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.932 20.758 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.387 20.216 5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.143 18.704 3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.088 17.977 4.650 1.00 0.00 H new ATOM 148 N THR A 197 7.258 19.884 6.389 1.00 0.00 N ATOM 149 CA THR A 197 6.002 20.539 6.047 1.00 0.00 C ATOM 150 C THR A 197 5.633 21.566 7.123 1.00 0.00 C ATOM 151 O THR A 197 6.273 21.647 8.173 1.00 0.00 O ATOM 152 CB THR A 197 4.870 19.509 5.845 1.00 0.00 C ATOM 153 OG1 THR A 197 4.605 18.796 7.037 1.00 0.00 O ATOM 154 CG2 THR A 197 5.137 18.509 4.713 1.00 0.00 C ATOM 0 H THR A 197 7.353 19.690 7.386 1.00 0.00 H new ATOM 0 HA THR A 197 6.134 21.063 5.101 1.00 0.00 H new ATOM 0 HB THR A 197 4.000 20.100 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.653 18.871 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.298 17.818 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.256 19.047 3.773 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.048 17.950 4.929 1.00 0.00 H new ATOM 162 N TYR A 198 4.588 22.351 6.835 1.00 0.00 N ATOM 163 CA TYR A 198 4.230 23.540 7.605 1.00 0.00 C ATOM 164 C TYR A 198 2.732 23.614 7.935 1.00 0.00 C ATOM 165 O TYR A 198 2.381 23.208 9.039 1.00 0.00 O ATOM 166 CB TYR A 198 4.742 24.768 6.851 1.00 0.00 C ATOM 167 CG TYR A 198 6.254 24.796 6.687 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.074 25.181 7.766 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.843 24.395 5.471 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.473 25.176 7.634 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.242 24.373 5.336 1.00 0.00 C ATOM 172 CZ TYR A 198 9.064 24.768 6.415 1.00 0.00 C ATOM 173 OH TYR A 198 10.420 24.749 6.281 1.00 0.00 O ATOM 0 H TYR A 198 3.962 22.173 6.050 1.00 0.00 H new ATOM 0 HA TYR A 198 4.710 23.495 8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.278 24.798 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.426 25.667 7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.624 25.482 8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.217 24.104 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.096 25.483 8.461 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.689 24.054 4.406 1.00 0.00 H new ATOM 0 HH TYR A 198 10.655 24.442 5.381 1.00 0.00 H new ATOM 183 N CYS A 199 1.869 24.124 7.031 1.00 0.00 N ATOM 184 CA CYS A 199 0.433 24.331 7.265 1.00 0.00 C ATOM 185 C CYS A 199 -0.308 23.068 7.715 1.00 0.00 C ATOM 186 O CYS A 199 0.212 21.956 7.645 1.00 0.00 O ATOM 187 CB CYS A 199 -0.276 25.053 6.089 1.00 0.00 C ATOM 188 SG CYS A 199 -1.714 25.983 6.724 1.00 0.00 S ATOM 0 H CYS A 199 2.164 24.409 6.097 1.00 0.00 H new ATOM 0 HA CYS A 199 0.383 25.012 8.114 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.419 25.731 5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.600 24.326 5.344 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.588 26.134 5.773 1.00 0.00 H new ATOM 193 N LEU A 200 -1.564 23.264 8.134 1.00 0.00 N ATOM 194 CA LEU A 200 -2.523 22.185 8.397 1.00 0.00 C ATOM 195 C LEU A 200 -2.773 21.300 7.161 1.00 0.00 C ATOM 196 O LEU A 200 -3.325 20.208 7.277 1.00 0.00 O ATOM 197 CB LEU A 200 -3.819 22.773 8.986 1.00 0.00 C ATOM 198 CG LEU A 200 -4.635 23.614 7.980 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.740 22.803 7.284 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.283 24.822 8.670 1.00 0.00 C ATOM 0 H LEU A 200 -1.949 24.193 8.303 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.090 21.514 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.442 21.958 9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.567 23.395 9.845 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.922 23.946 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.280 23.446 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.293 21.973 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.432 22.415 8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.851 25.397 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.951 24.475 9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.507 25.453 9.104 1.00 0.00 H new ATOM 212 N CYS A 201 -2.339 21.783 5.990 1.00 0.00 N ATOM 213 CA CYS A 201 -2.338 21.095 4.708 1.00 0.00 C ATOM 214 C CYS A 201 -1.223 20.045 4.596 1.00 0.00 C ATOM 215 O CYS A 201 -1.330 19.128 3.783 1.00 0.00 O ATOM 216 CB CYS A 201 -2.057 22.160 3.653 1.00 0.00 C ATOM 217 SG CYS A 201 -3.340 23.439 3.610 1.00 0.00 S ATOM 0 H CYS A 201 -1.956 22.726 5.916 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.293 20.583 4.586 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.091 22.623 3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.985 21.688 2.673 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.843 24.566 4.025 1.00 0.00 H new ATOM 223 N HIS A 202 -0.159 20.212 5.392 1.00 0.00 N ATOM 224 CA HIS A 202 1.093 19.470 5.367 1.00 0.00 C ATOM 225 C HIS A 202 1.725 19.457 3.974 1.00 0.00 C ATOM 226 O HIS A 202 1.795 18.426 3.308 1.00 0.00 O ATOM 227 CB HIS A 202 0.948 18.106 6.054 1.00 0.00 C ATOM 228 CG HIS A 202 0.649 18.270 7.523 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.563 18.599 8.499 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.585 18.244 8.117 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.889 18.759 9.651 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.426 18.551 9.472 1.00 0.00 N ATOM 0 H HIS A 202 -0.158 20.924 6.122 1.00 0.00 H new ATOM 0 HA HIS A 202 1.830 19.998 5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.149 17.538 5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.866 17.532 5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.520 18.024 7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.344 19.020 10.595 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.159 18.606 10.180 1.00 0.00 H new ATOM 240 N GLN A 203 2.194 20.647 3.570 1.00 0.00 N ATOM 241 CA GLN A 203 2.952 20.896 2.356 1.00 0.00 C ATOM 242 C GLN A 203 4.292 21.581 2.668 1.00 0.00 C ATOM 243 O GLN A 203 4.463 22.178 3.732 1.00 0.00 O ATOM 244 CB GLN A 203 2.088 21.667 1.336 1.00 0.00 C ATOM 245 CG GLN A 203 2.028 23.202 1.473 1.00 0.00 C ATOM 246 CD GLN A 203 1.357 23.733 2.739 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.213 24.182 2.704 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.063 23.759 3.864 1.00 0.00 N ATOM 0 H GLN A 203 2.042 21.496 4.114 1.00 0.00 H new ATOM 0 HA GLN A 203 3.210 19.944 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.456 21.432 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.070 21.283 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.045 23.591 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.499 23.604 0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.011 23.383 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.657 24.155 4.712 1.00 0.00 H new ATOM 257 N VAL A 204 5.232 21.496 1.719 1.00 0.00 N ATOM 258 CA VAL A 204 6.588 22.053 1.808 1.00 0.00 C ATOM 259 C VAL A 204 6.558 23.596 1.789 1.00 0.00 C ATOM 260 O VAL A 204 5.491 24.206 1.713 1.00 0.00 O ATOM 261 CB VAL A 204 7.496 21.482 0.675 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.947 21.284 1.154 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.034 20.127 0.107 1.00 0.00 C ATOM 0 H VAL A 204 5.063 21.019 0.834 1.00 0.00 H new ATOM 0 HA VAL A 204 7.019 21.749 2.762 1.00 0.00 H new ATOM 0 HB VAL A 204 7.426 22.236 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.549 20.885 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.358 22.241 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.962 20.585 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.723 19.806 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.019 19.384 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.033 20.230 -0.312 1.00 0.00 H new ATOM 273 N SER A 205 7.743 24.219 1.862 1.00 0.00 N ATOM 274 CA SER A 205 7.983 25.664 1.821 1.00 0.00 C ATOM 275 C SER A 205 7.174 26.386 0.731 1.00 0.00 C ATOM 276 O SER A 205 6.917 25.848 -0.347 1.00 0.00 O ATOM 277 CB SER A 205 9.486 25.940 1.692 1.00 0.00 C ATOM 278 OG SER A 205 10.015 25.386 0.504 1.00 0.00 O ATOM 0 H SER A 205 8.611 23.692 1.957 1.00 0.00 H new ATOM 0 HA SER A 205 7.626 26.079 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.662 27.016 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.009 25.523 2.553 1.00 0.00 H new ATOM 0 HG SER A 205 10.974 25.581 0.451 1.00 0.00 H new ATOM 284 N TYR A 206 6.774 27.624 1.049 1.00 0.00 N ATOM 285 CA TYR A 206 5.785 28.401 0.307 1.00 0.00 C ATOM 286 C TYR A 206 6.016 29.909 0.473 1.00 0.00 C ATOM 287 O TYR A 206 6.746 30.345 1.365 1.00 0.00 O ATOM 288 CB TYR A 206 4.379 27.991 0.790 1.00 0.00 C ATOM 289 CG TYR A 206 4.120 28.138 2.286 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.700 27.234 3.200 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.308 29.180 2.773 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.532 27.407 4.580 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.058 29.290 4.152 1.00 0.00 C ATOM 294 CZ TYR A 206 3.695 28.427 5.062 1.00 0.00 C ATOM 295 OH TYR A 206 3.540 28.614 6.397 1.00 0.00 O ATOM 0 H TYR A 206 7.145 28.124 1.857 1.00 0.00 H new ATOM 0 HA TYR A 206 5.881 28.189 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.643 28.589 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.209 26.951 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.279 26.400 2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 206 2.877 29.895 2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.046 26.757 5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.373 30.042 4.515 1.00 0.00 H new ATOM 0 HH TYR A 206 3.077 29.463 6.557 1.00 0.00 H new ATOM 305 N GLY A 207 5.384 30.697 -0.409 1.00 0.00 N ATOM 306 CA GLY A 207 5.642 32.124 -0.568 1.00 0.00 C ATOM 307 C GLY A 207 5.112 32.986 0.579 1.00 0.00 C ATOM 308 O GLY A 207 5.906 33.653 1.242 1.00 0.00 O ATOM 0 H GLY A 207 4.665 30.347 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.717 32.280 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.191 32.462 -1.501 1.00 0.00 H new ATOM 312 N GLU A 208 3.792 32.971 0.822 1.00 0.00 N ATOM 313 CA GLU A 208 3.147 33.831 1.803 1.00 0.00 C ATOM 314 C GLU A 208 2.902 33.063 3.101 1.00 0.00 C ATOM 315 O GLU A 208 2.210 32.050 3.094 1.00 0.00 O ATOM 316 CB GLU A 208 1.865 34.414 1.196 1.00 0.00 C ATOM 317 CG GLU A 208 0.753 33.422 0.790 1.00 0.00 C ATOM 318 CD GLU A 208 -0.513 34.099 0.256 1.00 0.00 C ATOM 319 OE1 GLU A 208 -0.403 35.207 -0.313 1.00 0.00 O ATOM 320 OE2 GLU A 208 -1.587 33.482 0.430 1.00 0.00 O ATOM 0 H GLU A 208 3.144 32.353 0.334 1.00 0.00 H new ATOM 0 HA GLU A 208 3.796 34.668 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 208 1.443 35.117 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.142 34.988 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.142 32.746 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.491 32.811 1.654 1.00 0.00 H new ATOM 327 N MET A 209 3.469 33.547 4.214 1.00 0.00 N ATOM 328 CA MET A 209 3.513 32.778 5.458 1.00 0.00 C ATOM 329 C MET A 209 3.294 33.622 6.712 1.00 0.00 C ATOM 330 O MET A 209 3.845 34.716 6.851 1.00 0.00 O ATOM 331 CB MET A 209 4.890 32.096 5.656 1.00 0.00 C ATOM 332 CG MET A 209 5.655 31.515 4.461 1.00 0.00 C ATOM 333 SD MET A 209 7.319 30.926 4.909 1.00 0.00 S ATOM 334 CE MET A 209 6.983 29.435 5.896 1.00 0.00 C ATOM 0 H MET A 209 3.903 34.468 4.275 1.00 0.00 H new ATOM 0 HA MET A 209 2.704 32.056 5.346 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.544 32.827 6.131 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.746 31.285 6.370 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.084 30.689 4.036 1.00 0.00 H new ATOM 0 HG3 MET A 209 5.740 32.276 3.685 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.705 29.367 6.709 1.00 0.00 H new ATOM 0 HE2 MET A 209 5.976 29.491 6.309 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.066 28.552 5.262 1.00 0.00 H new ATOM 344 N ILE A 210 2.588 33.013 7.671 1.00 0.00 N ATOM 345 CA ILE A 210 2.414 33.482 9.044 1.00 0.00 C ATOM 346 C ILE A 210 2.618 32.303 10.004 1.00 0.00 C ATOM 347 O ILE A 210 2.472 31.149 9.609 1.00 0.00 O ATOM 348 CB ILE A 210 1.034 34.157 9.201 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.935 34.914 10.540 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.136 33.173 8.994 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.241 35.891 10.580 1.00 0.00 C ATOM 0 H ILE A 210 2.099 32.135 7.498 1.00 0.00 H new ATOM 0 HA ILE A 210 3.159 34.239 9.290 1.00 0.00 H new ATOM 0 HB ILE A 210 0.944 34.894 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.832 34.195 11.353 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.862 35.460 10.713 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -1.082 33.701 9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.083 32.751 7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.071 32.371 9.729 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.262 36.396 11.546 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.127 36.630 9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.173 35.345 10.436 1.00 0.00 H new ATOM 363 N GLY A 211 2.946 32.598 11.267 1.00 0.00 N ATOM 364 CA GLY A 211 3.286 31.603 12.278 1.00 0.00 C ATOM 365 C GLY A 211 2.604 31.875 13.617 1.00 0.00 C ATOM 366 O GLY A 211 2.481 33.023 14.042 1.00 0.00 O ATOM 0 H GLY A 211 2.982 33.555 11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.998 30.614 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.367 31.589 12.420 1.00 0.00 H new ATOM 370 N CYS A 212 2.143 30.788 14.252 1.00 0.00 N ATOM 371 CA CYS A 212 1.256 30.808 15.413 1.00 0.00 C ATOM 372 C CYS A 212 2.020 31.197 16.675 1.00 0.00 C ATOM 373 O CYS A 212 3.008 30.558 17.031 1.00 0.00 O ATOM 374 CB CYS A 212 0.544 29.454 15.567 1.00 0.00 C ATOM 375 SG CYS A 212 -0.037 28.771 14.039 1.00 0.00 S ATOM 0 H CYS A 212 2.388 29.842 13.958 1.00 0.00 H new ATOM 0 HA CYS A 212 0.490 31.567 15.255 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.229 28.746 16.033 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.301 29.574 16.245 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.621 29.700 13.343 1.00 0.00 H new ATOM 380 N ASP A 213 1.524 32.243 17.348 1.00 0.00 N ATOM 381 CA ASP A 213 2.124 32.847 18.535 1.00 0.00 C ATOM 382 C ASP A 213 1.997 31.965 19.798 1.00 0.00 C ATOM 383 O ASP A 213 2.472 32.350 20.864 1.00 0.00 O ATOM 384 CB ASP A 213 1.485 34.231 18.733 1.00 0.00 C ATOM 385 CG ASP A 213 2.254 35.113 19.718 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.288 35.669 19.290 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.778 35.247 20.867 1.00 0.00 O ATOM 0 H ASP A 213 0.660 32.707 17.066 1.00 0.00 H new ATOM 0 HA ASP A 213 3.198 32.946 18.377 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.426 34.738 17.770 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.463 34.105 19.090 1.00 0.00 H new ATOM 392 N ASN A 214 1.362 30.784 19.696 1.00 0.00 N ATOM 393 CA ASN A 214 1.131 29.893 20.824 1.00 0.00 C ATOM 394 C ASN A 214 2.456 29.322 21.358 1.00 0.00 C ATOM 395 O ASN A 214 3.334 28.993 20.556 1.00 0.00 O ATOM 396 CB ASN A 214 0.325 28.659 20.390 1.00 0.00 C ATOM 397 CG ASN A 214 -1.029 28.871 19.722 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.194 29.655 18.788 1.00 0.00 O ATOM 399 ND2 ASN A 214 -1.989 28.028 20.086 1.00 0.00 N ATOM 0 H ASN A 214 0.995 30.426 18.814 1.00 0.00 H new ATOM 0 HA ASN A 214 0.608 30.487 21.574 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.946 28.082 19.704 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.165 28.040 21.273 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.880 28.024 19.589 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.835 27.385 20.863 1.00 0.00 H new ATOM 406 N PRO A 215 2.572 29.082 22.677 1.00 0.00 N ATOM 407 CA PRO A 215 3.652 28.286 23.248 1.00 0.00 C ATOM 408 C PRO A 215 3.363 26.769 23.122 1.00 0.00 C ATOM 409 O PRO A 215 4.119 25.971 23.676 1.00 0.00 O ATOM 410 CB PRO A 215 3.729 28.747 24.707 1.00 0.00 C ATOM 411 CG PRO A 215 2.277 29.070 25.051 1.00 0.00 C ATOM 412 CD PRO A 215 1.692 29.573 23.730 1.00 0.00 C ATOM 0 HA PRO A 215 4.600 28.429 22.730 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.132 27.968 25.354 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.373 29.619 24.820 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.747 28.190 25.414 1.00 0.00 H new ATOM 0 HG3 PRO A 215 2.210 29.827 25.832 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.676 29.205 23.590 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.641 30.662 23.717 1.00 0.00 H new ATOM 420 N ASP A 216 2.287 26.373 22.410 1.00 0.00 N ATOM 421 CA ASP A 216 1.753 25.007 22.380 1.00 0.00 C ATOM 422 C ASP A 216 1.408 24.484 20.976 1.00 0.00 C ATOM 423 O ASP A 216 1.167 23.285 20.831 1.00 0.00 O ATOM 424 CB ASP A 216 0.470 24.937 23.229 1.00 0.00 C ATOM 425 CG ASP A 216 0.592 25.554 24.624 1.00 0.00 C ATOM 426 OD1 ASP A 216 1.409 25.038 25.418 1.00 0.00 O ATOM 427 OD2 ASP A 216 -0.149 26.532 24.871 1.00 0.00 O ATOM 0 H ASP A 216 1.755 27.018 21.826 1.00 0.00 H new ATOM 0 HA ASP A 216 2.552 24.378 22.773 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -0.333 25.442 22.692 1.00 0.00 H new ATOM 0 HB3 ASP A 216 0.176 23.893 23.333 1.00 0.00 H new ATOM 432 N CYS A 217 1.349 25.350 19.952 1.00 0.00 N ATOM 433 CA CYS A 217 0.948 24.981 18.600 1.00 0.00 C ATOM 434 C CYS A 217 1.953 24.001 17.991 1.00 0.00 C ATOM 435 O CYS A 217 3.166 24.192 18.072 1.00 0.00 O ATOM 436 CB CYS A 217 0.730 26.224 17.728 1.00 0.00 C ATOM 437 SG CYS A 217 0.018 25.772 16.124 1.00 0.00 S ATOM 0 H CYS A 217 1.583 26.338 20.049 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.012 24.467 18.647 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.068 26.921 18.241 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.679 26.738 17.577 1.00 0.00 H new ATOM 0 HG CYS A 217 -0.019 26.819 15.355 1.00 0.00 H new ATOM 443 N SER A 218 1.393 22.966 17.363 1.00 0.00 N ATOM 444 CA SER A 218 2.108 21.817 16.799 1.00 0.00 C ATOM 445 C SER A 218 2.116 21.844 15.267 1.00 0.00 C ATOM 446 O SER A 218 2.570 20.887 14.644 1.00 0.00 O ATOM 447 CB SER A 218 1.484 20.517 17.324 1.00 0.00 C ATOM 448 OG SER A 218 1.478 20.484 18.739 1.00 0.00 O ATOM 0 H SER A 218 0.384 22.902 17.227 1.00 0.00 H new ATOM 0 HA SER A 218 3.149 21.871 17.119 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.464 20.425 16.952 1.00 0.00 H new ATOM 0 HB3 SER A 218 2.042 19.663 16.941 1.00 0.00 H new ATOM 0 HG SER A 218 1.073 19.646 19.045 1.00 0.00 H new ATOM 454 N ILE A 219 1.636 22.946 14.675 1.00 0.00 N ATOM 455 CA ILE A 219 1.633 23.210 13.239 1.00 0.00 C ATOM 456 C ILE A 219 2.507 24.449 12.964 1.00 0.00 C ATOM 457 O ILE A 219 3.316 24.406 12.039 1.00 0.00 O ATOM 458 CB ILE A 219 0.179 23.367 12.724 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.758 22.188 13.088 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.136 23.611 11.203 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.388 20.825 12.486 1.00 0.00 C ATOM 0 H ILE A 219 1.222 23.708 15.212 1.00 0.00 H new ATOM 0 HA ILE A 219 2.060 22.370 12.691 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.201 24.244 13.247 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.781 22.090 14.173 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.769 22.441 12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.900 23.716 10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.684 24.523 10.965 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.593 22.767 10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.112 20.076 12.808 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.396 20.893 11.398 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.607 20.536 12.824 1.00 0.00 H new ATOM 473 N GLU A 220 2.390 25.477 13.831 1.00 0.00 N ATOM 474 CA GLU A 220 3.184 26.708 14.004 1.00 0.00 C ATOM 475 C GLU A 220 3.529 27.578 12.776 1.00 0.00 C ATOM 476 O GLU A 220 3.991 28.697 12.980 1.00 0.00 O ATOM 477 CB GLU A 220 4.437 26.414 14.851 1.00 0.00 C ATOM 478 CG GLU A 220 5.486 25.550 14.131 1.00 0.00 C ATOM 479 CD GLU A 220 6.843 25.612 14.831 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.981 24.939 15.876 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.723 26.333 14.307 1.00 0.00 O ATOM 0 H GLU A 220 1.635 25.458 14.516 1.00 0.00 H new ATOM 0 HA GLU A 220 2.479 27.362 14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.896 27.358 15.143 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.133 25.910 15.769 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.143 24.516 14.093 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.592 25.889 13.100 1.00 0.00 H new ATOM 488 N TRP A 221 3.285 27.133 11.538 1.00 0.00 N ATOM 489 CA TRP A 221 3.399 27.892 10.306 1.00 0.00 C ATOM 490 C TRP A 221 2.250 27.514 9.382 1.00 0.00 C ATOM 491 O TRP A 221 1.908 26.343 9.251 1.00 0.00 O ATOM 492 CB TRP A 221 4.687 27.536 9.592 1.00 0.00 C ATOM 493 CG TRP A 221 5.923 28.205 10.065 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.901 27.639 10.802 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.360 29.563 9.780 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.929 28.537 10.959 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.674 29.726 10.301 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.791 30.663 9.099 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.411 30.897 10.091 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.505 31.862 8.930 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.822 31.975 9.409 1.00 0.00 C ATOM 0 H TRP A 221 2.985 26.173 11.369 1.00 0.00 H new ATOM 0 HA TRP A 221 3.381 28.955 10.548 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.833 26.459 9.672 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.562 27.763 8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.879 26.637 11.205 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.776 28.350 11.495 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.790 30.581 8.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.426 30.972 10.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.040 32.699 8.431 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.379 32.887 9.253 1.00 0.00 H new ATOM 512 N PHE A 222 1.654 28.538 8.772 1.00 0.00 N ATOM 513 CA PHE A 222 0.412 28.475 8.009 1.00 0.00 C ATOM 514 C PHE A 222 0.486 29.442 6.828 1.00 0.00 C ATOM 515 O PHE A 222 1.223 30.428 6.864 1.00 0.00 O ATOM 516 CB PHE A 222 -0.801 28.878 8.882 1.00 0.00 C ATOM 517 CG PHE A 222 -1.214 27.919 9.988 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.314 27.615 11.019 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.520 27.386 10.051 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.655 26.715 12.025 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.909 26.598 11.156 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.972 26.291 12.159 1.00 0.00 C ATOM 0 H PHE A 222 2.045 29.480 8.799 1.00 0.00 H new ATOM 0 HA PHE A 222 0.285 27.449 7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.583 29.844 9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.657 29.022 8.223 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.658 28.086 11.033 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.222 27.581 9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.103 26.347 12.701 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.922 26.232 11.231 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.275 25.728 13.030 1.00 0.00 H new ATOM 532 N HIS A 223 -0.319 29.174 5.792 1.00 0.00 N ATOM 533 CA HIS A 223 -0.543 30.142 4.722 1.00 0.00 C ATOM 534 C HIS A 223 -1.435 31.268 5.233 1.00 0.00 C ATOM 535 O HIS A 223 -2.321 31.051 6.062 1.00 0.00 O ATOM 536 CB HIS A 223 -1.204 29.488 3.498 1.00 0.00 C ATOM 537 CG HIS A 223 -0.283 28.712 2.594 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.191 27.411 2.813 1.00 0.00 N ATOM 539 CD2 HIS A 223 0.145 29.152 1.375 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.922 27.126 1.718 1.00 0.00 C ATOM 541 NE2 HIS A 223 0.896 28.139 0.837 1.00 0.00 N ATOM 0 H HIS A 223 -0.823 28.295 5.676 1.00 0.00 H new ATOM 0 HA HIS A 223 0.426 30.536 4.416 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.990 28.818 3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.688 30.268 2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -0.066 30.110 0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.460 26.202 1.568 1.00 0.00 H new ATOM 0 HE2 HIS A 223 1.355 28.152 -0.074 1.00 0.00 H new ATOM 549 N PHE A 224 -1.213 32.463 4.675 1.00 0.00 N ATOM 550 CA PHE A 224 -2.147 33.579 4.820 1.00 0.00 C ATOM 551 C PHE A 224 -3.552 33.129 4.439 1.00 0.00 C ATOM 552 O PHE A 224 -4.473 33.262 5.233 1.00 0.00 O ATOM 553 CB PHE A 224 -1.745 34.760 3.919 1.00 0.00 C ATOM 554 CG PHE A 224 -0.539 35.592 4.294 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.117 35.455 5.532 1.00 0.00 C ATOM 556 CD2 PHE A 224 -0.051 36.511 3.346 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.316 36.146 5.759 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.174 37.163 3.559 1.00 0.00 C ATOM 559 CZ PHE A 224 1.886 36.925 4.743 1.00 0.00 C ATOM 0 H PHE A 224 -0.388 32.680 4.116 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.122 33.903 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.574 34.366 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.601 35.432 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.300 34.822 6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.621 36.715 2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.802 36.078 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.565 37.843 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.874 37.342 4.872 1.00 0.00 H new ATOM 569 N ALA A 225 -3.698 32.532 3.258 1.00 0.00 N ATOM 570 CA ALA A 225 -4.980 32.105 2.732 1.00 0.00 C ATOM 571 C ALA A 225 -5.569 30.890 3.466 1.00 0.00 C ATOM 572 O ALA A 225 -6.759 30.625 3.293 1.00 0.00 O ATOM 573 CB ALA A 225 -4.831 31.823 1.234 1.00 0.00 C ATOM 0 H ALA A 225 -2.915 32.331 2.636 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.692 32.914 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.790 31.501 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.507 32.730 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.091 31.037 1.084 1.00 0.00 H new ATOM 579 N CYS A 226 -4.795 30.174 4.305 1.00 0.00 N ATOM 580 CA CYS A 226 -5.310 29.119 5.155 1.00 0.00 C ATOM 581 C CYS A 226 -6.038 29.662 6.401 1.00 0.00 C ATOM 582 O CYS A 226 -6.660 28.878 7.114 1.00 0.00 O ATOM 583 CB CYS A 226 -4.128 28.232 5.532 1.00 0.00 C ATOM 584 SG CYS A 226 -3.910 26.913 4.300 1.00 0.00 S ATOM 0 H CYS A 226 -3.791 30.324 4.402 1.00 0.00 H new ATOM 0 HA CYS A 226 -6.066 28.547 4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.220 28.832 5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.292 27.795 6.517 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.651 26.808 3.995 1.00 0.00 H new ATOM 590 N VAL A 227 -6.004 30.986 6.628 1.00 0.00 N ATOM 591 CA VAL A 227 -6.785 31.713 7.632 1.00 0.00 C ATOM 592 C VAL A 227 -7.614 32.852 7.017 1.00 0.00 C ATOM 593 O VAL A 227 -8.502 33.402 7.667 1.00 0.00 O ATOM 594 CB VAL A 227 -5.849 32.186 8.764 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.869 33.297 8.363 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.616 32.608 10.027 1.00 0.00 C ATOM 0 H VAL A 227 -5.400 31.605 6.087 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.522 31.036 8.064 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.252 31.301 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.252 33.565 9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.230 32.944 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.427 34.172 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.909 32.932 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.291 33.429 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.193 31.763 10.402 1.00 0.00 H new ATOM 606 N GLY A 228 -7.333 33.174 5.752 1.00 0.00 N ATOM 607 CA GLY A 228 -8.024 34.183 4.960 1.00 0.00 C ATOM 608 C GLY A 228 -7.321 35.544 4.954 1.00 0.00 C ATOM 609 O GLY A 228 -7.959 36.535 4.602 1.00 0.00 O ATOM 0 H GLY A 228 -6.584 32.716 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -8.117 33.827 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -9.035 34.307 5.347 1.00 0.00 H new ATOM 613 N LEU A 229 -6.039 35.612 5.353 1.00 0.00 N ATOM 614 CA LEU A 229 -5.247 36.835 5.303 1.00 0.00 C ATOM 615 C LEU A 229 -4.873 37.200 3.858 1.00 0.00 C ATOM 616 O LEU A 229 -4.924 36.369 2.950 1.00 0.00 O ATOM 617 CB LEU A 229 -3.987 36.701 6.184 1.00 0.00 C ATOM 618 CG LEU A 229 -4.227 36.956 7.685 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.982 36.528 8.472 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.520 38.433 7.991 1.00 0.00 C ATOM 0 H LEU A 229 -5.528 34.810 5.720 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.857 37.647 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.577 35.699 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.232 37.401 5.826 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.101 36.375 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.145 36.706 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.793 35.467 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.122 37.106 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.681 38.558 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.674 39.044 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.413 38.746 7.451 1.00 0.00 H new ATOM 632 N THR A 230 -4.460 38.462 3.681 1.00 0.00 N ATOM 633 CA THR A 230 -4.056 39.057 2.402 1.00 0.00 C ATOM 634 C THR A 230 -2.754 39.866 2.554 1.00 0.00 C ATOM 635 O THR A 230 -2.034 40.048 1.574 1.00 0.00 O ATOM 636 CB THR A 230 -5.208 39.934 1.866 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.407 39.188 1.793 1.00 0.00 O ATOM 638 CG2 THR A 230 -4.942 40.515 0.472 1.00 0.00 C ATOM 0 H THR A 230 -4.396 39.122 4.456 1.00 0.00 H new ATOM 0 HA THR A 230 -3.853 38.263 1.683 1.00 0.00 H new ATOM 0 HB THR A 230 -5.291 40.760 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 230 -7.127 39.759 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.794 41.119 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.047 41.137 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.795 39.702 -0.239 1.00 0.00 H new ATOM 646 N THR A 231 -2.423 40.299 3.781 1.00 0.00 N ATOM 647 CA THR A 231 -1.198 41.015 4.139 1.00 0.00 C ATOM 648 C THR A 231 -0.711 40.511 5.501 1.00 0.00 C ATOM 649 O THR A 231 -1.516 40.099 6.338 1.00 0.00 O ATOM 650 CB THR A 231 -1.440 42.538 4.199 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.483 42.853 5.102 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.775 43.143 2.831 1.00 0.00 C ATOM 0 H THR A 231 -3.034 40.150 4.584 1.00 0.00 H new ATOM 0 HA THR A 231 -0.443 40.827 3.376 1.00 0.00 H new ATOM 0 HB THR A 231 -0.501 42.972 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.615 43.824 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.935 44.216 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.949 42.965 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.680 42.679 2.440 1.00 0.00 H new ATOM 660 N LYS A 232 0.609 40.562 5.728 1.00 0.00 N ATOM 661 CA LYS A 232 1.214 40.087 6.968 1.00 0.00 C ATOM 662 C LYS A 232 0.985 41.109 8.099 1.00 0.00 C ATOM 663 O LYS A 232 1.360 42.271 7.935 1.00 0.00 O ATOM 664 CB LYS A 232 2.715 39.828 6.754 1.00 0.00 C ATOM 665 CG LYS A 232 3.250 38.877 7.835 1.00 0.00 C ATOM 666 CD LYS A 232 4.707 38.473 7.569 1.00 0.00 C ATOM 667 CE LYS A 232 5.178 37.394 8.550 1.00 0.00 C ATOM 668 NZ LYS A 232 5.221 37.883 9.942 1.00 0.00 N ATOM 0 H LYS A 232 1.281 40.933 5.056 1.00 0.00 H new ATOM 0 HA LYS A 232 0.742 39.149 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.880 39.397 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.262 40.770 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.179 39.359 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.627 37.984 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 232 4.803 38.105 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.350 39.349 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 232 4.510 36.535 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.170 37.048 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.593 37.135 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 5.839 38.718 9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 4.261 38.141 10.249 1.00 0.00 H new ATOM 682 N PRO A 233 0.409 40.705 9.249 1.00 0.00 N ATOM 683 CA PRO A 233 0.251 41.560 10.423 1.00 0.00 C ATOM 684 C PRO A 233 1.571 41.692 11.205 1.00 0.00 C ATOM 685 O PRO A 233 2.584 41.079 10.858 1.00 0.00 O ATOM 686 CB PRO A 233 -0.838 40.868 11.253 1.00 0.00 C ATOM 687 CG PRO A 233 -0.584 39.388 10.983 1.00 0.00 C ATOM 688 CD PRO A 233 -0.139 39.383 9.521 1.00 0.00 C ATOM 0 HA PRO A 233 -0.024 42.581 10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.750 41.106 12.313 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.837 41.170 10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.184 38.983 11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.482 38.789 11.135 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.609 38.610 9.346 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.979 39.168 8.861 1.00 0.00 H new ATOM 696 N ARG A 234 1.531 42.467 12.298 1.00 0.00 N ATOM 697 CA ARG A 234 2.610 42.598 13.269 1.00 0.00 C ATOM 698 C ARG A 234 1.985 42.596 14.665 1.00 0.00 C ATOM 699 O ARG A 234 1.071 43.369 14.952 1.00 0.00 O ATOM 700 CB ARG A 234 3.424 43.880 13.007 1.00 0.00 C ATOM 701 CG ARG A 234 4.940 43.638 12.988 1.00 0.00 C ATOM 702 CD ARG A 234 5.382 42.845 11.751 1.00 0.00 C ATOM 703 NE ARG A 234 6.845 42.710 11.695 1.00 0.00 N ATOM 704 CZ ARG A 234 7.549 42.304 10.627 1.00 0.00 C ATOM 705 NH1 ARG A 234 6.953 41.973 9.478 1.00 0.00 N ATOM 706 NH2 ARG A 234 8.877 42.227 10.710 1.00 0.00 N ATOM 0 H ARG A 234 0.717 43.036 12.532 1.00 0.00 H new ATOM 0 HA ARG A 234 3.308 41.765 13.183 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.119 44.308 12.052 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.189 44.616 13.776 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.460 44.596 13.009 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.232 43.097 13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 234 4.924 41.856 11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 234 5.026 43.345 10.850 1.00 0.00 H new ATOM 0 HE ARG A 234 7.369 42.945 12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 234 5.938 42.026 9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.513 41.668 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.349 42.475 11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.421 41.920 9.904 1.00 0.00 H new ATOM 720 N GLY A 235 2.478 41.679 15.500 1.00 0.00 N ATOM 721 CA GLY A 235 1.919 41.329 16.801 1.00 0.00 C ATOM 722 C GLY A 235 1.585 39.835 16.865 1.00 0.00 C ATOM 723 O GLY A 235 1.873 39.084 15.930 1.00 0.00 O ATOM 0 H GLY A 235 3.314 41.139 15.275 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.630 41.581 17.587 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.019 41.916 16.985 1.00 0.00 H new ATOM 727 N LYS A 236 0.964 39.408 17.973 1.00 0.00 N ATOM 728 CA LYS A 236 0.486 38.051 18.154 1.00 0.00 C ATOM 729 C LYS A 236 -0.683 37.763 17.215 1.00 0.00 C ATOM 730 O LYS A 236 -1.563 38.596 16.989 1.00 0.00 O ATOM 731 CB LYS A 236 0.138 37.789 19.633 1.00 0.00 C ATOM 732 CG LYS A 236 -1.079 38.530 20.218 1.00 0.00 C ATOM 733 CD LYS A 236 -2.370 37.699 20.149 1.00 0.00 C ATOM 734 CE LYS A 236 -3.543 38.471 20.751 1.00 0.00 C ATOM 735 NZ LYS A 236 -4.768 37.651 20.765 1.00 0.00 N ATOM 0 H LYS A 236 0.782 40.013 18.774 1.00 0.00 H new ATOM 0 HA LYS A 236 1.283 37.356 17.890 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.029 36.719 19.755 1.00 0.00 H new ATOM 0 HB3 LYS A 236 1.010 38.046 20.235 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.875 38.791 21.256 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.224 39.465 19.677 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -2.590 37.445 19.112 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.233 36.760 20.685 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.296 38.779 21.767 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -3.717 39.380 20.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -5.548 38.200 21.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -5.014 37.378 19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -4.607 36.796 21.334 1.00 0.00 H new ATOM 749 N TRP A 237 -0.678 36.533 16.715 1.00 0.00 N ATOM 750 CA TRP A 237 -1.698 35.936 15.878 1.00 0.00 C ATOM 751 C TRP A 237 -1.902 34.481 16.294 1.00 0.00 C ATOM 752 O TRP A 237 -0.947 33.751 16.563 1.00 0.00 O ATOM 753 CB TRP A 237 -1.249 36.037 14.421 1.00 0.00 C ATOM 754 CG TRP A 237 -2.053 35.249 13.439 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.172 35.641 12.804 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.804 33.895 12.979 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.647 34.615 12.004 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.835 33.497 12.080 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.781 32.975 13.246 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.860 32.211 11.505 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.796 31.699 12.669 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.841 31.297 11.840 1.00 0.00 C ATOM 0 H TRP A 237 0.091 35.889 16.899 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.648 36.458 15.991 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.274 37.086 14.124 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.211 35.712 14.357 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.632 36.613 12.903 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.489 34.676 11.431 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.028 33.253 13.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.646 31.931 10.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.016 31.016 12.870 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.870 30.288 11.455 1.00 0.00 H new ATOM 773 N PHE A 238 -3.171 34.071 16.311 1.00 0.00 N ATOM 774 CA PHE A 238 -3.615 32.744 16.712 1.00 0.00 C ATOM 775 C PHE A 238 -4.454 32.157 15.575 1.00 0.00 C ATOM 776 O PHE A 238 -5.422 32.758 15.109 1.00 0.00 O ATOM 777 CB PHE A 238 -4.370 32.812 18.051 1.00 0.00 C ATOM 778 CG PHE A 238 -3.475 32.833 19.288 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.634 33.933 19.551 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.477 31.739 20.179 1.00 0.00 C ATOM 781 CE1 PHE A 238 -1.781 33.923 20.668 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.632 31.731 21.303 1.00 0.00 C ATOM 783 CZ PHE A 238 -1.778 32.823 21.542 1.00 0.00 C ATOM 0 H PHE A 238 -3.942 34.679 16.035 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.766 32.082 16.884 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.994 33.706 18.056 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.040 31.955 18.119 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.645 34.788 18.891 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.133 30.901 19.996 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -1.127 34.762 20.855 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.639 30.890 21.980 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.120 32.816 22.398 1.00 0.00 H new ATOM 793 N CYS A 239 -4.005 30.982 15.125 1.00 0.00 N ATOM 794 CA CYS A 239 -4.445 30.250 13.941 1.00 0.00 C ATOM 795 C CYS A 239 -5.937 29.845 13.947 1.00 0.00 C ATOM 796 O CYS A 239 -6.616 30.045 14.956 1.00 0.00 O ATOM 797 CB CYS A 239 -3.443 29.098 13.791 1.00 0.00 C ATOM 798 SG CYS A 239 -3.814 27.682 14.854 1.00 0.00 S ATOM 0 H CYS A 239 -3.267 30.482 15.620 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.432 30.883 13.054 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.431 28.770 12.752 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.442 29.464 14.021 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.503 26.582 14.235 1.00 0.00 H new ATOM 804 N PRO A 240 -6.486 29.295 12.839 1.00 0.00 N ATOM 805 CA PRO A 240 -7.927 29.097 12.684 1.00 0.00 C ATOM 806 C PRO A 240 -8.539 27.961 13.518 1.00 0.00 C ATOM 807 O PRO A 240 -9.754 27.775 13.478 1.00 0.00 O ATOM 808 CB PRO A 240 -8.166 28.896 11.183 1.00 0.00 C ATOM 809 CG PRO A 240 -6.851 28.299 10.702 1.00 0.00 C ATOM 810 CD PRO A 240 -5.816 28.990 11.583 1.00 0.00 C ATOM 0 HA PRO A 240 -8.441 29.974 13.078 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.006 28.227 10.994 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.389 29.837 10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.830 27.217 10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.680 28.500 9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.954 28.344 11.749 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.447 29.899 11.109 1.00 0.00 H new ATOM 818 N ARG A 241 -7.722 27.247 14.303 1.00 0.00 N ATOM 819 CA ARG A 241 -8.141 26.246 15.278 1.00 0.00 C ATOM 820 C ARG A 241 -7.740 26.657 16.705 1.00 0.00 C ATOM 821 O ARG A 241 -7.753 25.831 17.617 1.00 0.00 O ATOM 822 CB ARG A 241 -7.622 24.857 14.873 1.00 0.00 C ATOM 823 CG ARG A 241 -8.239 24.411 13.538 1.00 0.00 C ATOM 824 CD ARG A 241 -7.904 22.952 13.221 1.00 0.00 C ATOM 825 NE ARG A 241 -8.563 22.529 11.974 1.00 0.00 N ATOM 826 CZ ARG A 241 -8.955 21.283 11.666 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.739 20.252 12.486 1.00 0.00 N ATOM 828 NH2 ARG A 241 -9.580 21.067 10.510 1.00 0.00 N ATOM 0 H ARG A 241 -6.709 27.360 14.270 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.229 26.185 15.283 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.536 24.881 14.787 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.864 24.133 15.651 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -9.321 24.536 13.577 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.873 25.051 12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.825 22.833 13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -8.225 22.312 14.043 1.00 0.00 H new ATOM 0 HE ARG A 241 -8.738 23.253 11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.263 20.399 13.376 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.050 19.317 12.222 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -9.755 21.843 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -9.884 20.125 10.263 1.00 0.00 H new ATOM 842 N CYS A 242 -7.399 27.941 16.891 1.00 0.00 N ATOM 843 CA CYS A 242 -6.931 28.542 18.120 1.00 0.00 C ATOM 844 C CYS A 242 -7.634 29.871 18.436 1.00 0.00 C ATOM 845 O CYS A 242 -7.553 30.326 19.576 1.00 0.00 O ATOM 846 CB CYS A 242 -5.434 28.791 17.956 1.00 0.00 C ATOM 847 SG CYS A 242 -4.494 27.262 18.210 1.00 0.00 S ATOM 0 H CYS A 242 -7.451 28.619 16.130 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.151 27.868 18.948 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.234 29.185 16.960 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.106 29.547 18.670 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.992 26.868 17.078 1.00 0.00 H new ATOM 853 N SER A 243 -8.315 30.487 17.457 1.00 0.00 N ATOM 854 CA SER A 243 -9.076 31.722 17.646 1.00 0.00 C ATOM 855 C SER A 243 -10.258 31.823 16.678 1.00 0.00 C ATOM 856 O SER A 243 -11.354 32.192 17.102 1.00 0.00 O ATOM 857 CB SER A 243 -8.132 32.918 17.465 1.00 0.00 C ATOM 858 OG SER A 243 -8.810 34.132 17.703 1.00 0.00 O ATOM 0 H SER A 243 -8.350 30.133 16.501 1.00 0.00 H new ATOM 0 HA SER A 243 -9.492 31.721 18.653 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.288 32.828 18.149 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.725 32.916 16.454 1.00 0.00 H new ATOM 0 HG SER A 243 -8.190 34.882 17.584 1.00 0.00 H new ATOM 864 N GLN A 244 -10.055 31.469 15.399 1.00 0.00 N ATOM 865 CA GLN A 244 -11.115 31.540 14.380 1.00 0.00 C ATOM 866 C GLN A 244 -12.143 30.403 14.525 1.00 0.00 C ATOM 867 O GLN A 244 -13.227 30.490 13.953 1.00 0.00 O ATOM 868 CB GLN A 244 -10.507 31.557 12.968 1.00 0.00 C ATOM 869 CG GLN A 244 -11.369 32.305 11.942 1.00 0.00 C ATOM 870 CD GLN A 244 -10.687 32.335 10.572 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.512 31.300 9.935 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.284 33.518 10.111 1.00 0.00 N ATOM 0 H GLN A 244 -9.161 31.129 15.044 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.654 32.474 14.539 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.521 32.021 13.010 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.362 30.531 12.630 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -12.342 31.821 11.857 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.548 33.324 12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.443 34.361 10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.816 33.581 9.207 1.00 0.00 H new ATOM 881 N GLU A 245 -11.820 29.372 15.323 1.00 0.00 N ATOM 882 CA GLU A 245 -12.704 28.279 15.720 1.00 0.00 C ATOM 883 C GLU A 245 -14.008 28.810 16.338 1.00 0.00 C ATOM 884 O GLU A 245 -15.078 28.255 16.089 1.00 0.00 O ATOM 885 CB GLU A 245 -11.913 27.394 16.701 1.00 0.00 C ATOM 886 CG GLU A 245 -12.565 26.046 17.051 1.00 0.00 C ATOM 887 CD GLU A 245 -13.785 26.157 17.972 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.682 26.871 18.994 1.00 0.00 O ATOM 889 OE2 GLU A 245 -14.804 25.508 17.648 1.00 0.00 O ATOM 0 H GLU A 245 -10.887 29.280 15.725 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.010 27.693 14.853 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -10.928 27.202 16.276 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -11.758 27.953 17.624 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -12.865 25.550 16.128 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.821 25.408 17.528 1.00 0.00 H new ATOM 896 N ARG A 246 -13.913 29.918 17.091 1.00 0.00 N ATOM 897 CA ARG A 246 -15.012 30.584 17.790 1.00 0.00 C ATOM 898 C ARG A 246 -16.011 31.293 16.847 1.00 0.00 C ATOM 899 O ARG A 246 -16.990 31.866 17.322 1.00 0.00 O ATOM 900 CB ARG A 246 -14.384 31.538 18.825 1.00 0.00 C ATOM 901 CG ARG A 246 -15.339 31.902 19.975 1.00 0.00 C ATOM 902 CD ARG A 246 -14.616 32.596 21.139 1.00 0.00 C ATOM 903 NE ARG A 246 -13.628 31.719 21.796 1.00 0.00 N ATOM 904 CZ ARG A 246 -13.896 30.720 22.651 1.00 0.00 C ATOM 905 NH1 ARG A 246 -15.142 30.434 23.037 1.00 0.00 N ATOM 906 NH2 ARG A 246 -12.892 29.984 23.129 1.00 0.00 N ATOM 0 H ARG A 246 -13.022 30.393 17.232 1.00 0.00 H new ATOM 0 HA ARG A 246 -15.628 29.836 18.290 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -13.488 31.075 19.239 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -14.068 32.452 18.322 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -16.125 32.556 19.598 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -15.825 30.997 20.340 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -14.114 33.490 20.769 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -15.351 32.924 21.874 1.00 0.00 H new ATOM 0 HE ARG A 246 -12.646 31.889 21.579 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -15.925 30.982 22.680 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -15.311 29.668 23.688 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -11.933 30.183 22.844 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -13.083 29.222 23.780 1.00 0.00 H new ATOM 920 N LYS A 247 -15.793 31.225 15.523 1.00 0.00 N ATOM 921 CA LYS A 247 -16.682 31.753 14.485 1.00 0.00 C ATOM 922 C LYS A 247 -16.974 30.692 13.411 1.00 0.00 C ATOM 923 O LYS A 247 -18.070 30.690 12.851 1.00 0.00 O ATOM 924 CB LYS A 247 -16.049 33.021 13.886 1.00 0.00 C ATOM 925 CG LYS A 247 -16.975 33.720 12.877 1.00 0.00 C ATOM 926 CD LYS A 247 -16.357 35.021 12.352 1.00 0.00 C ATOM 927 CE LYS A 247 -17.308 35.664 11.339 1.00 0.00 C ATOM 928 NZ LYS A 247 -16.753 36.914 10.788 1.00 0.00 N ATOM 0 H LYS A 247 -14.959 30.783 15.136 1.00 0.00 H new ATOM 0 HA LYS A 247 -17.644 32.016 14.925 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -15.803 33.715 14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -15.113 32.758 13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -17.177 33.049 12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -17.933 33.936 13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -16.170 35.707 13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -15.394 34.816 11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -17.503 34.963 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -18.265 35.871 11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -17.424 37.321 10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -16.590 37.592 11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -15.852 36.712 10.309 1.00 0.00 H new ATOM 942 N LYS A 248 -16.030 29.772 13.161 1.00 0.00 N ATOM 943 CA LYS A 248 -16.196 28.627 12.275 1.00 0.00 C ATOM 944 C LYS A 248 -15.282 27.500 12.764 1.00 0.00 C ATOM 945 O LYS A 248 -14.062 27.584 12.627 1.00 0.00 O ATOM 946 CB LYS A 248 -15.883 29.032 10.824 1.00 0.00 C ATOM 947 CG LYS A 248 -16.140 27.870 9.852 1.00 0.00 C ATOM 948 CD LYS A 248 -15.856 28.284 8.404 1.00 0.00 C ATOM 949 CE LYS A 248 -16.114 27.098 7.472 1.00 0.00 C ATOM 950 NZ LYS A 248 -15.839 27.445 6.066 1.00 0.00 N ATOM 0 H LYS A 248 -15.104 29.812 13.587 1.00 0.00 H new ATOM 0 HA LYS A 248 -17.227 28.274 12.293 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -16.497 29.887 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -14.843 29.348 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -15.510 27.022 10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -17.175 27.539 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -16.491 29.125 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -14.823 28.618 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -15.487 26.257 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -17.150 26.774 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -16.024 26.619 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -16.455 28.231 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -14.844 27.730 5.967 1.00 0.00 H new ATOM 964 N LYS A 249 -15.899 26.457 13.334 1.00 0.00 N ATOM 965 CA LYS A 249 -15.240 25.245 13.811 1.00 0.00 C ATOM 966 C LYS A 249 -14.530 24.512 12.664 1.00 0.00 C ATOM 967 O LYS A 249 -15.189 24.283 11.624 1.00 0.00 O ATOM 968 CB LYS A 249 -16.285 24.361 14.512 1.00 0.00 C ATOM 969 CG LYS A 249 -15.667 23.113 15.166 1.00 0.00 C ATOM 970 CD LYS A 249 -16.715 22.224 15.857 1.00 0.00 C ATOM 971 CE LYS A 249 -17.492 22.912 16.988 1.00 0.00 C ATOM 972 NZ LYS A 249 -16.617 23.312 18.106 1.00 0.00 N ATOM 973 OXT LYS A 249 -13.338 24.187 12.854 1.00 0.00 O ATOM 0 H LYS A 249 -16.909 26.438 13.479 1.00 0.00 H new ATOM 0 HA LYS A 249 -14.462 25.503 14.530 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -16.799 24.948 15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -17.037 24.051 13.787 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -15.146 22.530 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -14.921 23.423 15.897 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -17.425 21.873 15.108 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -16.216 21.343 16.261 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -17.999 23.792 16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -18.265 22.238 17.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -17.200 23.615 18.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -16.026 22.505 18.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -16.007 24.098 17.805 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -0.773 25.663 3.422 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -1.483 28.563 17.198 1.00 0.00 ZN