USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 242 TYR OH : rot 148:sc= 0.581 USER MOD Set 1.2: A 276 CYS SG : rot 51:sc= -0.649 USER MOD Set 2.1: A 240 THR OG1 : rot -118:sc= 0.0364 USER MOD Set 2.2: A 280 GLN : amide:sc= -0.624 X(o=-0.59,f=-0.63) USER MOD Single : A 239 THR OG1 : rot 152:sc= 1.3 USER MOD Single : A 249 THR OG1 : rot 180:sc= -0.0431 USER MOD Single : A 251 THR OG1 : rot -61:sc= 0.455 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.18) USER MOD Single : A 258 HIS :FLIP no HE2:sc= -3.52! C(o=-4.9!,f=-3.5!) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 261 GLN : amide:sc= 0.268 K(o=0.27,f=-0.92) USER MOD Single : A 267 THR OG1 : rot 180:sc=-0.00995 USER MOD Single : A 269 THR OG1 : rot 180:sc= 0 USER MOD Single : A 272 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 274 GLN :FLIP amide:sc= -1.16 F(o=-2.1!,f=-1.2) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 283 THR OG1 : rot 47:sc= 0.232 USER MOD Single : A 285 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 293 LYS NZ :NH3+ -178:sc= 0.0202 (180deg=0.0199) USER MOD Single : A 294 SER OG : rot -176:sc= 0.268 USER MOD Single : A 296 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.6!) USER MOD Single : A 297 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 ASN :FLIP amide:sc= -0.0693 F(o=-1.1,f=-0.069) USER MOD Single : A 306 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.2) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 238 5.143 11.490 0.818 1.00 0.00 N ATOM 130 CA ILE A 238 4.968 10.092 1.192 1.00 0.00 C ATOM 131 C ILE A 238 4.476 9.264 0.009 1.00 0.00 C ATOM 132 O ILE A 238 3.279 9.216 -0.274 1.00 0.00 O ATOM 133 CB ILE A 238 3.974 9.941 2.359 1.00 0.00 C ATOM 134 CG1 ILE A 238 4.398 10.822 3.536 1.00 0.00 C ATOM 135 CG2 ILE A 238 3.878 8.485 2.787 1.00 0.00 C ATOM 136 CD1 ILE A 238 3.414 10.810 4.685 1.00 0.00 C ATOM 0 HA ILE A 238 5.945 9.725 1.508 1.00 0.00 H new ATOM 0 HB ILE A 238 2.989 10.266 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 238 5.370 10.488 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 238 4.523 11.847 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 238 3.172 8.394 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 238 3.534 7.881 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 238 4.859 8.135 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 238 3.779 11.456 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 238 2.446 11.173 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 238 3.307 9.793 5.062 1.00 0.00 H new ATOM 148 N THR A 239 5.408 8.612 -0.678 1.00 0.00 N ATOM 149 CA THR A 239 5.070 7.785 -1.830 1.00 0.00 C ATOM 150 C THR A 239 4.879 6.328 -1.424 1.00 0.00 C ATOM 151 O THR A 239 5.268 5.414 -2.151 1.00 0.00 O ATOM 152 CB THR A 239 6.158 7.865 -2.917 1.00 0.00 C ATOM 153 OG1 THR A 239 7.345 7.197 -2.473 1.00 0.00 O ATOM 154 CG2 THR A 239 6.482 9.313 -3.254 1.00 0.00 C ATOM 0 H THR A 239 6.403 8.640 -0.457 1.00 0.00 H new ATOM 0 HA THR A 239 4.134 8.172 -2.234 1.00 0.00 H new ATOM 0 HB THR A 239 5.780 7.375 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 239 7.836 6.853 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 239 7.253 9.344 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 239 5.584 9.811 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 239 6.841 9.823 -2.360 1.00 0.00 H new ATOM 162 N THR A 240 4.278 6.118 -0.257 1.00 0.00 N ATOM 163 CA THR A 240 4.035 4.772 0.246 1.00 0.00 C ATOM 164 C THR A 240 2.594 4.611 0.715 1.00 0.00 C ATOM 165 O THR A 240 2.000 5.542 1.261 1.00 0.00 O ATOM 166 CB THR A 240 4.983 4.428 1.410 1.00 0.00 C ATOM 167 OG1 THR A 240 6.338 4.702 1.036 1.00 0.00 O ATOM 168 CG2 THR A 240 4.847 2.966 1.806 1.00 0.00 C ATOM 0 H THR A 240 3.951 6.863 0.358 1.00 0.00 H new ATOM 0 HA THR A 240 4.223 4.087 -0.581 1.00 0.00 H new ATOM 0 HB THR A 240 4.710 5.046 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 240 6.856 3.870 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 240 5.526 2.747 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 240 3.822 2.768 2.119 1.00 0.00 H new ATOM 0 HG23 THR A 240 5.095 2.334 0.954 1.00 0.00 H new ATOM 176 N LEU A 241 2.035 3.425 0.500 1.00 0.00 N ATOM 177 CA LEU A 241 0.662 3.142 0.902 1.00 0.00 C ATOM 178 C LEU A 241 0.565 1.786 1.594 1.00 0.00 C ATOM 179 O LEU A 241 1.034 0.776 1.069 1.00 0.00 O ATOM 180 CB LEU A 241 -0.264 3.173 -0.316 1.00 0.00 C ATOM 181 CG LEU A 241 -0.666 4.560 -0.818 1.00 0.00 C ATOM 182 CD1 LEU A 241 -1.209 4.477 -2.236 1.00 0.00 C ATOM 183 CD2 LEU A 241 -1.693 5.187 0.113 1.00 0.00 C ATOM 0 H LEU A 241 2.512 2.644 0.049 1.00 0.00 H new ATOM 0 HA LEU A 241 0.351 3.912 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 241 0.224 2.641 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 241 -1.171 2.620 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 241 0.221 5.194 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 241 -1.490 5.473 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 241 -0.443 4.071 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 241 -2.084 3.827 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 241 -1.968 6.174 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 241 -2.580 4.555 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 241 -1.268 5.282 1.112 1.00 0.00 H new ATOM 195 N TYR A 242 -0.047 1.772 2.772 1.00 0.00 N ATOM 196 CA TYR A 242 -0.205 0.540 3.536 1.00 0.00 C ATOM 197 C TYR A 242 -1.453 -0.218 3.095 1.00 0.00 C ATOM 198 O TYR A 242 -2.475 0.383 2.762 1.00 0.00 O ATOM 199 CB TYR A 242 -0.286 0.850 5.032 1.00 0.00 C ATOM 200 CG TYR A 242 -1.072 -0.173 5.821 1.00 0.00 C ATOM 201 CD1 TYR A 242 -2.460 -0.201 5.771 1.00 0.00 C ATOM 202 CD2 TYR A 242 -0.425 -1.112 6.615 1.00 0.00 C ATOM 203 CE1 TYR A 242 -3.181 -1.134 6.491 1.00 0.00 C ATOM 204 CE2 TYR A 242 -1.139 -2.049 7.337 1.00 0.00 C ATOM 205 CZ TYR A 242 -2.517 -2.056 7.272 1.00 0.00 C ATOM 206 OH TYR A 242 -3.232 -2.987 7.990 1.00 0.00 O ATOM 0 H TYR A 242 -0.442 2.599 3.219 1.00 0.00 H new ATOM 0 HA TYR A 242 0.666 -0.088 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 242 0.724 0.911 5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 242 -0.743 1.830 5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 242 -2.984 0.518 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 242 0.654 -1.109 6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 242 -4.260 -1.141 6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 242 -0.621 -2.772 7.949 1.00 0.00 H new ATOM 0 HH TYR A 242 -2.717 -3.818 8.052 1.00 0.00 H new ATOM 216 N VAL A 243 -1.363 -1.545 3.095 1.00 0.00 N ATOM 217 CA VAL A 243 -2.484 -2.387 2.697 1.00 0.00 C ATOM 218 C VAL A 243 -2.589 -3.620 3.589 1.00 0.00 C ATOM 219 O VAL A 243 -1.786 -4.545 3.484 1.00 0.00 O ATOM 220 CB VAL A 243 -2.353 -2.839 1.230 1.00 0.00 C ATOM 221 CG1 VAL A 243 -3.527 -3.722 0.836 1.00 0.00 C ATOM 222 CG2 VAL A 243 -2.251 -1.632 0.309 1.00 0.00 C ATOM 0 H VAL A 243 -0.525 -2.059 3.366 1.00 0.00 H new ATOM 0 HA VAL A 243 -3.386 -1.785 2.805 1.00 0.00 H new ATOM 0 HB VAL A 243 -1.439 -3.424 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 243 -3.417 -4.031 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 243 -3.550 -4.604 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 243 -4.457 -3.165 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 243 -2.159 -1.969 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 243 -3.146 -1.019 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 243 -1.374 -1.042 0.578 1.00 0.00 H new ATOM 232 N GLY A 244 -3.587 -3.624 4.467 1.00 0.00 N ATOM 233 CA GLY A 244 -3.780 -4.748 5.365 1.00 0.00 C ATOM 234 C GLY A 244 -4.903 -5.662 4.917 1.00 0.00 C ATOM 235 O GLY A 244 -5.561 -5.401 3.911 1.00 0.00 O ATOM 0 H GLY A 244 -4.265 -2.869 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 244 -2.854 -5.320 5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 244 -3.996 -4.376 6.366 1.00 0.00 H new ATOM 239 N GLY A 245 -5.122 -6.739 5.665 1.00 0.00 N ATOM 240 CA GLY A 245 -6.173 -7.679 5.322 1.00 0.00 C ATOM 241 C GLY A 245 -5.835 -8.504 4.096 1.00 0.00 C ATOM 242 O GLY A 245 -6.690 -8.737 3.240 1.00 0.00 O ATOM 0 H GLY A 245 -4.590 -6.977 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 245 -6.351 -8.345 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 245 -7.100 -7.134 5.145 1.00 0.00 H new ATOM 246 N LEU A 246 -4.585 -8.945 4.007 1.00 0.00 N ATOM 247 CA LEU A 246 -4.136 -9.747 2.874 1.00 0.00 C ATOM 248 C LEU A 246 -4.760 -11.138 2.910 1.00 0.00 C ATOM 249 O LEU A 246 -5.516 -11.514 2.014 1.00 0.00 O ATOM 250 CB LEU A 246 -2.610 -9.861 2.879 1.00 0.00 C ATOM 251 CG LEU A 246 -1.839 -8.551 2.712 1.00 0.00 C ATOM 252 CD1 LEU A 246 -0.344 -8.789 2.855 1.00 0.00 C ATOM 253 CD2 LEU A 246 -2.153 -7.914 1.366 1.00 0.00 C ATOM 0 H LEU A 246 -3.865 -8.761 4.705 1.00 0.00 H new ATOM 0 HA LEU A 246 -4.455 -9.249 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -2.303 -10.323 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 246 -2.314 -10.539 2.078 1.00 0.00 H new ATOM 0 HG LEU A 246 -2.154 -7.865 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 246 0.188 -7.845 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -0.134 -9.199 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -0.013 -9.493 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 246 -1.595 -6.983 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 246 -1.868 -8.596 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 246 -3.221 -7.706 1.302 1.00 0.00 H new ATOM 265 N GLY A 247 -4.441 -11.898 3.953 1.00 0.00 N ATOM 266 CA GLY A 247 -4.982 -13.238 4.087 1.00 0.00 C ATOM 267 C GLY A 247 -4.378 -14.209 3.092 1.00 0.00 C ATOM 268 O GLY A 247 -4.096 -13.844 1.951 1.00 0.00 O ATOM 0 H GLY A 247 -3.818 -11.610 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -4.801 -13.600 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -6.063 -13.206 3.948 1.00 0.00 H new ATOM 272 N ASP A 248 -4.176 -15.449 3.526 1.00 0.00 N ATOM 273 CA ASP A 248 -3.600 -16.476 2.665 1.00 0.00 C ATOM 274 C ASP A 248 -4.157 -16.372 1.248 1.00 0.00 C ATOM 275 O ASP A 248 -3.487 -16.730 0.278 1.00 0.00 O ATOM 276 CB ASP A 248 -3.882 -17.866 3.236 1.00 0.00 C ATOM 277 CG ASP A 248 -3.537 -17.968 4.708 1.00 0.00 C ATOM 278 OD1 ASP A 248 -2.428 -17.539 5.089 1.00 0.00 O ATOM 279 OD2 ASP A 248 -4.377 -18.477 5.480 1.00 0.00 O ATOM 0 H ASP A 248 -4.403 -15.767 4.468 1.00 0.00 H new ATOM 0 HA ASP A 248 -2.522 -16.320 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -4.936 -18.106 3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -3.309 -18.607 2.679 1.00 0.00 H new ATOM 284 N THR A 249 -5.387 -15.880 1.135 1.00 0.00 N ATOM 285 CA THR A 249 -6.034 -15.731 -0.162 1.00 0.00 C ATOM 286 C THR A 249 -5.257 -14.772 -1.057 1.00 0.00 C ATOM 287 O THR A 249 -4.910 -15.110 -2.190 1.00 0.00 O ATOM 288 CB THR A 249 -7.479 -15.219 -0.013 1.00 0.00 C ATOM 289 OG1 THR A 249 -7.499 -14.037 0.795 1.00 0.00 O ATOM 290 CG2 THR A 249 -8.368 -16.282 0.613 1.00 0.00 C ATOM 0 H THR A 249 -5.955 -15.578 1.927 1.00 0.00 H new ATOM 0 HA THR A 249 -6.052 -16.719 -0.622 1.00 0.00 H new ATOM 0 HB THR A 249 -7.863 -14.986 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 249 -8.421 -13.717 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 249 -9.383 -15.897 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 249 -8.374 -17.170 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 249 -7.985 -16.542 1.600 1.00 0.00 H new ATOM 298 N ILE A 250 -4.987 -13.577 -0.543 1.00 0.00 N ATOM 299 CA ILE A 250 -4.249 -12.571 -1.296 1.00 0.00 C ATOM 300 C ILE A 250 -2.744 -12.777 -1.161 1.00 0.00 C ATOM 301 O ILE A 250 -2.268 -13.337 -0.172 1.00 0.00 O ATOM 302 CB ILE A 250 -4.604 -11.147 -0.831 1.00 0.00 C ATOM 303 CG1 ILE A 250 -6.115 -10.922 -0.914 1.00 0.00 C ATOM 304 CG2 ILE A 250 -3.863 -10.116 -1.670 1.00 0.00 C ATOM 305 CD1 ILE A 250 -6.582 -9.680 -0.187 1.00 0.00 C ATOM 0 H ILE A 250 -5.268 -13.282 0.392 1.00 0.00 H new ATOM 0 HA ILE A 250 -4.537 -12.686 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 250 -4.295 -11.032 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -6.407 -10.851 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -6.627 -11.790 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -4.124 -9.114 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -2.788 -10.266 -1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -4.145 -10.228 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -7.663 -9.584 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -6.322 -9.757 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -6.098 -8.803 -0.617 1.00 0.00 H new ATOM 317 N THR A 251 -1.997 -12.321 -2.162 1.00 0.00 N ATOM 318 CA THR A 251 -0.546 -12.454 -2.155 1.00 0.00 C ATOM 319 C THR A 251 0.128 -11.152 -2.573 1.00 0.00 C ATOM 320 O THR A 251 -0.543 -10.170 -2.891 1.00 0.00 O ATOM 321 CB THR A 251 -0.081 -13.583 -3.094 1.00 0.00 C ATOM 322 OG1 THR A 251 -0.390 -13.249 -4.452 1.00 0.00 O ATOM 323 CG2 THR A 251 -0.746 -14.901 -2.726 1.00 0.00 C ATOM 0 H THR A 251 -2.374 -11.856 -2.988 1.00 0.00 H new ATOM 0 HA THR A 251 -0.256 -12.698 -1.133 1.00 0.00 H new ATOM 0 HB THR A 251 0.998 -13.696 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 251 -1.360 -13.151 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 251 -0.402 -15.683 -3.403 1.00 0.00 H new ATOM 0 HG22 THR A 251 -0.485 -15.167 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 251 -1.828 -14.798 -2.810 1.00 0.00 H new ATOM 331 N GLU A 252 1.457 -11.151 -2.569 1.00 0.00 N ATOM 332 CA GLU A 252 2.221 -9.968 -2.948 1.00 0.00 C ATOM 333 C GLU A 252 1.954 -9.591 -4.403 1.00 0.00 C ATOM 334 O GLU A 252 1.489 -8.489 -4.696 1.00 0.00 O ATOM 335 CB GLU A 252 3.717 -10.210 -2.739 1.00 0.00 C ATOM 336 CG GLU A 252 4.598 -9.121 -3.327 1.00 0.00 C ATOM 337 CD GLU A 252 6.051 -9.261 -2.917 1.00 0.00 C ATOM 338 OE1 GLU A 252 6.305 -9.581 -1.736 1.00 0.00 O ATOM 339 OE2 GLU A 252 6.934 -9.051 -3.775 1.00 0.00 O ATOM 0 H GLU A 252 2.027 -11.956 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 252 1.902 -9.142 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 252 3.918 -10.290 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 252 3.988 -11.166 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 252 4.527 -9.149 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 252 4.227 -8.147 -3.008 1.00 0.00 H new ATOM 346 N THR A 253 2.253 -10.514 -5.312 1.00 0.00 N ATOM 347 CA THR A 253 2.048 -10.279 -6.735 1.00 0.00 C ATOM 348 C THR A 253 0.698 -9.622 -6.995 1.00 0.00 C ATOM 349 O THR A 253 0.622 -8.563 -7.620 1.00 0.00 O ATOM 350 CB THR A 253 2.131 -11.591 -7.538 1.00 0.00 C ATOM 351 OG1 THR A 253 3.432 -12.172 -7.396 1.00 0.00 O ATOM 352 CG2 THR A 253 1.838 -11.344 -9.010 1.00 0.00 C ATOM 0 H THR A 253 2.638 -11.431 -5.087 1.00 0.00 H new ATOM 0 HA THR A 253 2.843 -9.610 -7.063 1.00 0.00 H new ATOM 0 HB THR A 253 1.382 -12.279 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 253 3.475 -13.006 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 253 1.903 -12.285 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 253 0.835 -10.930 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 253 2.566 -10.640 -9.413 1.00 0.00 H new ATOM 360 N ASP A 254 -0.366 -10.255 -6.513 1.00 0.00 N ATOM 361 CA ASP A 254 -1.714 -9.729 -6.692 1.00 0.00 C ATOM 362 C ASP A 254 -1.733 -8.213 -6.528 1.00 0.00 C ATOM 363 O ASP A 254 -2.318 -7.497 -7.342 1.00 0.00 O ATOM 364 CB ASP A 254 -2.673 -10.375 -5.690 1.00 0.00 C ATOM 365 CG ASP A 254 -3.311 -11.639 -6.231 1.00 0.00 C ATOM 366 OD1 ASP A 254 -4.236 -11.527 -7.062 1.00 0.00 O ATOM 367 OD2 ASP A 254 -2.886 -12.740 -5.823 1.00 0.00 O ATOM 0 H ASP A 254 -0.321 -11.133 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 254 -2.040 -9.970 -7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -2.132 -10.608 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -3.454 -9.661 -5.427 1.00 0.00 H new ATOM 372 N LEU A 255 -1.090 -7.729 -5.471 1.00 0.00 N ATOM 373 CA LEU A 255 -1.034 -6.297 -5.199 1.00 0.00 C ATOM 374 C LEU A 255 -0.045 -5.605 -6.132 1.00 0.00 C ATOM 375 O LEU A 255 -0.385 -4.629 -6.800 1.00 0.00 O ATOM 376 CB LEU A 255 -0.638 -6.049 -3.743 1.00 0.00 C ATOM 377 CG LEU A 255 -1.404 -6.855 -2.693 1.00 0.00 C ATOM 378 CD1 LEU A 255 -0.652 -6.861 -1.371 1.00 0.00 C ATOM 379 CD2 LEU A 255 -2.806 -6.293 -2.508 1.00 0.00 C ATOM 0 H LEU A 255 -0.600 -8.307 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 255 -2.025 -5.879 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.425 -6.266 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 255 -0.771 -4.989 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 255 -1.489 -7.884 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -1.212 -7.439 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 255 0.331 -7.310 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -0.535 -5.838 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -3.337 -6.879 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -2.742 -5.256 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -3.345 -6.342 -3.454 1.00 0.00 H new ATOM 391 N ARG A 256 1.181 -6.118 -6.172 1.00 0.00 N ATOM 392 CA ARG A 256 2.219 -5.549 -7.023 1.00 0.00 C ATOM 393 C ARG A 256 1.658 -5.183 -8.394 1.00 0.00 C ATOM 394 O ARG A 256 1.947 -4.113 -8.928 1.00 0.00 O ATOM 395 CB ARG A 256 3.376 -6.538 -7.181 1.00 0.00 C ATOM 396 CG ARG A 256 4.544 -5.985 -7.981 1.00 0.00 C ATOM 397 CD ARG A 256 5.740 -6.923 -7.941 1.00 0.00 C ATOM 398 NE ARG A 256 5.658 -7.958 -8.968 1.00 0.00 N ATOM 399 CZ ARG A 256 6.065 -7.785 -10.221 1.00 0.00 C ATOM 400 NH1 ARG A 256 6.581 -6.624 -10.599 1.00 0.00 N ATOM 401 NH2 ARG A 256 5.958 -8.775 -11.097 1.00 0.00 N ATOM 0 H ARG A 256 1.479 -6.926 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 256 2.588 -4.641 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 256 3.730 -6.831 -6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 256 3.007 -7.441 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 256 4.237 -5.829 -9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 256 4.830 -5.011 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 256 6.656 -6.348 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 256 5.801 -7.391 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 256 5.267 -8.864 -8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 256 6.666 -5.861 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 256 6.893 -6.494 -11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 256 5.563 -9.670 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 256 6.271 -8.641 -12.059 1.00 0.00 H new ATOM 415 N ASN A 257 0.855 -6.080 -8.958 1.00 0.00 N ATOM 416 CA ASN A 257 0.255 -5.851 -10.267 1.00 0.00 C ATOM 417 C ASN A 257 -0.887 -4.843 -10.174 1.00 0.00 C ATOM 418 O ASN A 257 -0.973 -3.911 -10.974 1.00 0.00 O ATOM 419 CB ASN A 257 -0.260 -7.168 -10.852 1.00 0.00 C ATOM 420 CG ASN A 257 0.822 -7.935 -11.588 1.00 0.00 C ATOM 421 OD1 ASN A 257 1.487 -7.397 -12.474 1.00 0.00 O ATOM 422 ND2 ASN A 257 1.002 -9.200 -11.225 1.00 0.00 N ATOM 0 H ASN A 257 0.605 -6.971 -8.529 1.00 0.00 H new ATOM 0 HA ASN A 257 1.023 -5.444 -10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 257 -0.659 -7.788 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 257 -1.084 -6.962 -11.535 1.00 0.00 H new ATOM 0 HD21 ASN A 257 1.714 -9.766 -11.686 1.00 0.00 H new ATOM 0 HD22 ASN A 257 0.428 -9.605 -10.486 1.00 0.00 H new ATOM 429 N HIS A 258 -1.761 -5.037 -9.191 1.00 0.00 N ATOM 430 CA HIS A 258 -2.897 -4.144 -8.992 1.00 0.00 C ATOM 431 C HIS A 258 -2.438 -2.691 -8.910 1.00 0.00 C ATOM 432 O HIS A 258 -3.093 -1.792 -9.439 1.00 0.00 O ATOM 433 CB HIS A 258 -3.655 -4.524 -7.719 1.00 0.00 C ATOM 434 CG HIS A 258 -4.522 -3.425 -7.188 1.00 0.00 C ATOM 435 ND1 HIS A 258 -4.209 -2.310 -6.486 1.00 0.00 N flip ATOM 436 CD2 HIS A 258 -5.890 -3.398 -7.356 1.00 0.00 C flip ATOM 437 CE1 HIS A 258 -5.381 -1.637 -6.247 1.00 0.00 C flip ATOM 438 NE2 HIS A 258 -6.381 -2.314 -6.782 1.00 0.00 N flip ATOM 0 H HIS A 258 -1.704 -5.804 -8.521 1.00 0.00 H new ATOM 0 HA HIS A 258 -3.564 -4.248 -9.848 1.00 0.00 H new ATOM 0 HB2 HIS A 258 -4.274 -5.398 -7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 258 -2.937 -4.813 -6.951 1.00 0.00 H new ATOM 0 HD1 HIS A 258 -3.276 -2.024 -6.190 1.00 0.00 H new ATOM 0 HD2 HIS A 258 -6.470 -4.146 -7.876 1.00 0.00 H new ATOM 0 HE1 HIS A 258 -5.471 -0.705 -5.709 1.00 0.00 H new ATOM 446 N PHE A 259 -1.310 -2.468 -8.245 1.00 0.00 N ATOM 447 CA PHE A 259 -0.765 -1.124 -8.092 1.00 0.00 C ATOM 448 C PHE A 259 0.140 -0.768 -9.269 1.00 0.00 C ATOM 449 O PHE A 259 0.055 0.330 -9.821 1.00 0.00 O ATOM 450 CB PHE A 259 0.017 -1.014 -6.782 1.00 0.00 C ATOM 451 CG PHE A 259 -0.859 -0.989 -5.562 1.00 0.00 C ATOM 452 CD1 PHE A 259 -1.394 0.204 -5.101 1.00 0.00 C ATOM 453 CD2 PHE A 259 -1.148 -2.157 -4.876 1.00 0.00 C ATOM 454 CE1 PHE A 259 -2.200 0.230 -3.979 1.00 0.00 C ATOM 455 CE2 PHE A 259 -1.954 -2.137 -3.753 1.00 0.00 C ATOM 456 CZ PHE A 259 -2.481 -0.942 -3.304 1.00 0.00 C ATOM 0 H PHE A 259 -0.755 -3.201 -7.803 1.00 0.00 H new ATOM 0 HA PHE A 259 -1.598 -0.421 -8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 259 0.706 -1.855 -6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 259 0.622 -0.107 -6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 259 -1.178 1.124 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 259 -0.739 -3.095 -5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 259 -2.610 1.166 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 259 -2.171 -3.055 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 259 -3.111 -0.924 -2.427 1.00 0.00 H new ATOM 466 N TYR A 260 1.005 -1.702 -9.646 1.00 0.00 N ATOM 467 CA TYR A 260 1.928 -1.487 -10.754 1.00 0.00 C ATOM 468 C TYR A 260 1.243 -0.741 -11.896 1.00 0.00 C ATOM 469 O TYR A 260 1.892 -0.034 -12.666 1.00 0.00 O ATOM 470 CB TYR A 260 2.474 -2.824 -11.258 1.00 0.00 C ATOM 471 CG TYR A 260 2.757 -2.841 -12.743 1.00 0.00 C ATOM 472 CD1 TYR A 260 3.904 -2.250 -13.259 1.00 0.00 C ATOM 473 CD2 TYR A 260 1.877 -3.448 -13.631 1.00 0.00 C ATOM 474 CE1 TYR A 260 4.166 -2.263 -14.615 1.00 0.00 C ATOM 475 CE2 TYR A 260 2.132 -3.467 -14.988 1.00 0.00 C ATOM 476 CZ TYR A 260 3.277 -2.873 -15.475 1.00 0.00 C ATOM 477 OH TYR A 260 3.534 -2.889 -16.827 1.00 0.00 O ATOM 0 H TYR A 260 1.087 -2.616 -9.201 1.00 0.00 H new ATOM 0 HA TYR A 260 2.756 -0.878 -10.391 1.00 0.00 H new ATOM 0 HB2 TYR A 260 3.392 -3.058 -10.719 1.00 0.00 H new ATOM 0 HB3 TYR A 260 1.757 -3.611 -11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 260 4.603 -1.772 -12.588 1.00 0.00 H new ATOM 0 HD2 TYR A 260 0.978 -3.913 -13.253 1.00 0.00 H new ATOM 0 HE1 TYR A 260 5.062 -1.798 -15.000 1.00 0.00 H new ATOM 0 HE2 TYR A 260 1.438 -3.945 -15.664 1.00 0.00 H new ATOM 0 HH TYR A 260 2.810 -3.359 -17.292 1.00 0.00 H new ATOM 487 N GLN A 261 -0.072 -0.907 -11.997 1.00 0.00 N ATOM 488 CA GLN A 261 -0.845 -0.250 -13.044 1.00 0.00 C ATOM 489 C GLN A 261 -0.764 1.267 -12.911 1.00 0.00 C ATOM 490 O GLN A 261 -0.544 1.976 -13.893 1.00 0.00 O ATOM 491 CB GLN A 261 -2.305 -0.701 -12.988 1.00 0.00 C ATOM 492 CG GLN A 261 -3.110 -0.023 -11.892 1.00 0.00 C ATOM 493 CD GLN A 261 -4.554 -0.484 -11.856 1.00 0.00 C ATOM 494 OE1 GLN A 261 -5.215 -0.572 -12.891 1.00 0.00 O ATOM 495 NE2 GLN A 261 -5.051 -0.783 -10.662 1.00 0.00 N ATOM 0 H GLN A 261 -0.623 -1.490 -11.367 1.00 0.00 H new ATOM 0 HA GLN A 261 -0.420 -0.535 -14.007 1.00 0.00 H new ATOM 0 HB2 GLN A 261 -2.776 -0.500 -13.950 1.00 0.00 H new ATOM 0 HB3 GLN A 261 -2.338 -1.780 -12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 261 -2.644 -0.225 -10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 261 -3.081 1.056 -12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 261 -4.467 -0.696 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 261 -6.017 -1.100 -10.576 1.00 0.00 H new ATOM 504 N PHE A 262 -0.943 1.759 -11.690 1.00 0.00 N ATOM 505 CA PHE A 262 -0.891 3.193 -11.428 1.00 0.00 C ATOM 506 C PHE A 262 0.417 3.792 -11.936 1.00 0.00 C ATOM 507 O PHE A 262 0.418 4.793 -12.650 1.00 0.00 O ATOM 508 CB PHE A 262 -1.043 3.465 -9.930 1.00 0.00 C ATOM 509 CG PHE A 262 -2.412 3.152 -9.399 1.00 0.00 C ATOM 510 CD1 PHE A 262 -3.515 3.878 -9.819 1.00 0.00 C ATOM 511 CD2 PHE A 262 -2.596 2.132 -8.480 1.00 0.00 C ATOM 512 CE1 PHE A 262 -4.777 3.592 -9.332 1.00 0.00 C ATOM 513 CE2 PHE A 262 -3.856 1.841 -7.990 1.00 0.00 C ATOM 514 CZ PHE A 262 -4.947 2.572 -8.416 1.00 0.00 C ATOM 0 H PHE A 262 -1.125 1.186 -10.866 1.00 0.00 H new ATOM 0 HA PHE A 262 -1.716 3.665 -11.961 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -0.307 2.874 -9.385 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -0.817 4.513 -9.735 1.00 0.00 H new ATOM 0 HD1 PHE A 262 -3.387 4.676 -10.535 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -1.746 1.558 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -5.629 4.165 -9.667 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -3.986 1.043 -7.275 1.00 0.00 H new ATOM 0 HZ PHE A 262 -5.932 2.347 -8.034 1.00 0.00 H new ATOM 524 N GLY A 263 1.531 3.170 -11.560 1.00 0.00 N ATOM 525 CA GLY A 263 2.831 3.655 -11.985 1.00 0.00 C ATOM 526 C GLY A 263 3.955 2.713 -11.603 1.00 0.00 C ATOM 527 O GLY A 263 3.770 1.497 -11.574 1.00 0.00 O ATOM 0 H GLY A 263 1.556 2.339 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 263 2.828 3.793 -13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 263 3.014 4.633 -11.540 1.00 0.00 H new ATOM 531 N GLU A 264 5.123 3.275 -11.310 1.00 0.00 N ATOM 532 CA GLU A 264 6.282 2.475 -10.931 1.00 0.00 C ATOM 533 C GLU A 264 6.331 2.272 -9.419 1.00 0.00 C ATOM 534 O GLU A 264 6.351 3.236 -8.653 1.00 0.00 O ATOM 535 CB GLU A 264 7.571 3.146 -11.409 1.00 0.00 C ATOM 536 CG GLU A 264 8.825 2.349 -11.092 1.00 0.00 C ATOM 537 CD GLU A 264 10.039 2.844 -11.854 1.00 0.00 C ATOM 538 OE1 GLU A 264 9.871 3.300 -13.004 1.00 0.00 O ATOM 539 OE2 GLU A 264 11.157 2.774 -11.301 1.00 0.00 O ATOM 0 H GLU A 264 5.292 4.281 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 264 6.191 1.500 -11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 264 7.512 3.301 -12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 264 7.650 4.131 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 264 9.025 2.404 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 264 8.654 1.299 -11.331 1.00 0.00 H new ATOM 546 N ILE A 265 6.350 1.012 -8.998 1.00 0.00 N ATOM 547 CA ILE A 265 6.398 0.682 -7.579 1.00 0.00 C ATOM 548 C ILE A 265 7.837 0.539 -7.096 1.00 0.00 C ATOM 549 O ILE A 265 8.552 -0.375 -7.505 1.00 0.00 O ATOM 550 CB ILE A 265 5.635 -0.622 -7.278 1.00 0.00 C ATOM 551 CG1 ILE A 265 4.202 -0.534 -7.808 1.00 0.00 C ATOM 552 CG2 ILE A 265 5.636 -0.903 -5.783 1.00 0.00 C ATOM 553 CD1 ILE A 265 3.508 -1.875 -7.896 1.00 0.00 C ATOM 0 H ILE A 265 6.333 0.203 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 265 5.919 1.504 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 265 6.139 -1.446 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 265 3.623 0.124 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 265 4.216 -0.076 -8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 265 5.093 -1.827 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 265 6.663 -1.004 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 265 5.152 -0.079 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 265 2.497 -1.737 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 265 4.064 -2.529 -8.567 1.00 0.00 H new ATOM 0 HD13 ILE A 265 3.462 -2.327 -6.905 1.00 0.00 H new ATOM 565 N ARG A 266 8.255 1.448 -6.221 1.00 0.00 N ATOM 566 CA ARG A 266 9.608 1.423 -5.680 1.00 0.00 C ATOM 567 C ARG A 266 9.902 0.084 -5.010 1.00 0.00 C ATOM 568 O ARG A 266 10.935 -0.537 -5.263 1.00 0.00 O ATOM 569 CB ARG A 266 9.801 2.561 -4.676 1.00 0.00 C ATOM 570 CG ARG A 266 10.354 3.834 -5.297 1.00 0.00 C ATOM 571 CD ARG A 266 11.232 4.596 -4.316 1.00 0.00 C ATOM 572 NE ARG A 266 12.634 4.199 -4.415 1.00 0.00 N ATOM 573 CZ ARG A 266 13.645 4.974 -4.038 1.00 0.00 C ATOM 574 NH1 ARG A 266 13.410 6.180 -3.540 1.00 0.00 N ATOM 575 NH2 ARG A 266 14.894 4.543 -4.159 1.00 0.00 N ATOM 0 H ARG A 266 7.675 2.211 -5.872 1.00 0.00 H new ATOM 0 HA ARG A 266 10.305 1.556 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 266 8.844 2.783 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 266 10.476 2.228 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 266 10.932 3.585 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 266 9.530 4.470 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 266 11.144 5.666 -4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 266 10.877 4.422 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 266 12.849 3.277 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 266 12.451 6.515 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 266 14.188 6.773 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 266 15.079 3.616 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 266 15.669 5.139 -3.869 1.00 0.00 H new ATOM 589 N THR A 267 8.986 -0.356 -4.153 1.00 0.00 N ATOM 590 CA THR A 267 9.146 -1.620 -3.445 1.00 0.00 C ATOM 591 C THR A 267 7.832 -2.070 -2.819 1.00 0.00 C ATOM 592 O THR A 267 6.858 -1.316 -2.787 1.00 0.00 O ATOM 593 CB THR A 267 10.217 -1.514 -2.343 1.00 0.00 C ATOM 594 OG1 THR A 267 10.641 -2.823 -1.944 1.00 0.00 O ATOM 595 CG2 THR A 267 9.679 -0.760 -1.136 1.00 0.00 C ATOM 0 H THR A 267 8.125 0.145 -3.932 1.00 0.00 H new ATOM 0 HA THR A 267 9.465 -2.357 -4.182 1.00 0.00 H new ATOM 0 HB THR A 267 11.068 -0.964 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 267 11.323 -2.747 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 267 10.453 -0.698 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 267 9.385 0.245 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 267 8.813 -1.287 -0.734 1.00 0.00 H new ATOM 603 N ILE A 268 7.810 -3.302 -2.321 1.00 0.00 N ATOM 604 CA ILE A 268 6.614 -3.851 -1.694 1.00 0.00 C ATOM 605 C ILE A 268 6.975 -4.764 -0.528 1.00 0.00 C ATOM 606 O ILE A 268 7.522 -5.851 -0.721 1.00 0.00 O ATOM 607 CB ILE A 268 5.760 -4.640 -2.704 1.00 0.00 C ATOM 608 CG1 ILE A 268 5.298 -3.724 -3.840 1.00 0.00 C ATOM 609 CG2 ILE A 268 4.565 -5.273 -2.007 1.00 0.00 C ATOM 610 CD1 ILE A 268 4.611 -4.461 -4.968 1.00 0.00 C ATOM 0 H ILE A 268 8.607 -3.939 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 268 6.035 -3.005 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 268 6.371 -5.436 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 268 4.616 -2.975 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 268 6.160 -3.189 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 268 3.971 -5.827 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 268 4.915 -5.953 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 268 3.951 -4.493 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 268 4.311 -3.750 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 268 5.297 -5.191 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 268 3.729 -4.974 -4.584 1.00 0.00 H new ATOM 622 N THR A 269 6.664 -4.318 0.685 1.00 0.00 N ATOM 623 CA THR A 269 6.955 -5.095 1.884 1.00 0.00 C ATOM 624 C THR A 269 5.696 -5.763 2.424 1.00 0.00 C ATOM 625 O THR A 269 4.897 -5.135 3.118 1.00 0.00 O ATOM 626 CB THR A 269 7.570 -4.214 2.988 1.00 0.00 C ATOM 627 OG1 THR A 269 8.717 -3.524 2.482 1.00 0.00 O ATOM 628 CG2 THR A 269 7.967 -5.056 4.192 1.00 0.00 C ATOM 0 H THR A 269 6.210 -3.422 0.863 1.00 0.00 H new ATOM 0 HA THR A 269 7.675 -5.861 1.598 1.00 0.00 H new ATOM 0 HB THR A 269 6.821 -3.488 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 269 9.101 -2.965 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 269 8.399 -4.413 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 269 7.085 -5.557 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 269 8.701 -5.802 3.888 1.00 0.00 H new ATOM 636 N VAL A 270 5.526 -7.042 2.102 1.00 0.00 N ATOM 637 CA VAL A 270 4.365 -7.797 2.557 1.00 0.00 C ATOM 638 C VAL A 270 4.641 -8.477 3.893 1.00 0.00 C ATOM 639 O VAL A 270 5.424 -9.424 3.970 1.00 0.00 O ATOM 640 CB VAL A 270 3.949 -8.863 1.526 1.00 0.00 C ATOM 641 CG1 VAL A 270 2.782 -9.686 2.050 1.00 0.00 C ATOM 642 CG2 VAL A 270 3.599 -8.211 0.198 1.00 0.00 C ATOM 0 H VAL A 270 6.178 -7.576 1.528 1.00 0.00 H new ATOM 0 HA VAL A 270 3.550 -7.083 2.678 1.00 0.00 H new ATOM 0 HB VAL A 270 4.792 -9.535 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 270 2.502 -10.434 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 270 3.074 -10.184 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 270 1.933 -9.031 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 270 3.307 -8.979 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 270 2.772 -7.515 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 270 4.466 -7.671 -0.182 1.00 0.00 H new ATOM 652 N VAL A 271 3.991 -7.989 4.945 1.00 0.00 N ATOM 653 CA VAL A 271 4.165 -8.551 6.279 1.00 0.00 C ATOM 654 C VAL A 271 3.076 -9.571 6.592 1.00 0.00 C ATOM 655 O VAL A 271 1.957 -9.207 6.953 1.00 0.00 O ATOM 656 CB VAL A 271 4.148 -7.452 7.358 1.00 0.00 C ATOM 657 CG1 VAL A 271 4.462 -8.040 8.725 1.00 0.00 C ATOM 658 CG2 VAL A 271 5.132 -6.346 7.006 1.00 0.00 C ATOM 0 H VAL A 271 3.339 -7.206 4.899 1.00 0.00 H new ATOM 0 HA VAL A 271 5.136 -9.045 6.289 1.00 0.00 H new ATOM 0 HB VAL A 271 3.148 -7.020 7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 271 4.445 -7.248 9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 271 3.716 -8.794 8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 271 5.450 -8.500 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 271 5.107 -5.578 7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 271 6.138 -6.761 6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 271 4.857 -5.906 6.048 1.00 0.00 H new ATOM 668 N GLN A 272 3.412 -10.849 6.452 1.00 0.00 N ATOM 669 CA GLN A 272 2.462 -11.922 6.719 1.00 0.00 C ATOM 670 C GLN A 272 1.978 -11.873 8.165 1.00 0.00 C ATOM 671 O GLN A 272 0.780 -11.768 8.425 1.00 0.00 O ATOM 672 CB GLN A 272 3.100 -13.282 6.429 1.00 0.00 C ATOM 673 CG GLN A 272 2.089 -14.398 6.224 1.00 0.00 C ATOM 674 CD GLN A 272 2.741 -15.760 6.092 1.00 0.00 C ATOM 675 OE1 GLN A 272 2.734 -16.363 5.019 1.00 0.00 O ATOM 676 NE2 GLN A 272 3.310 -16.252 7.186 1.00 0.00 N ATOM 0 H GLN A 272 4.335 -11.167 6.155 1.00 0.00 H new ATOM 0 HA GLN A 272 1.603 -11.784 6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 272 3.723 -13.199 5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 272 3.759 -13.548 7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 272 1.394 -14.412 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 272 1.503 -14.192 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 272 3.292 -15.718 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 272 3.765 -17.164 7.158 1.00 0.00 H new ATOM 685 N ARG A 273 2.918 -11.950 9.101 1.00 0.00 N ATOM 686 CA ARG A 273 2.587 -11.916 10.521 1.00 0.00 C ATOM 687 C ARG A 273 1.574 -10.814 10.816 1.00 0.00 C ATOM 688 O ARG A 273 0.858 -10.869 11.816 1.00 0.00 O ATOM 689 CB ARG A 273 3.851 -11.699 11.355 1.00 0.00 C ATOM 690 CG ARG A 273 4.442 -10.306 11.214 1.00 0.00 C ATOM 691 CD ARG A 273 5.601 -10.093 12.175 1.00 0.00 C ATOM 692 NE ARG A 273 5.148 -9.632 13.485 1.00 0.00 N ATOM 693 CZ ARG A 273 5.911 -8.944 14.327 1.00 0.00 C ATOM 694 NH1 ARG A 273 7.159 -8.639 13.997 1.00 0.00 N ATOM 695 NH2 ARG A 273 5.427 -8.560 15.501 1.00 0.00 N ATOM 0 H ARG A 273 3.915 -12.036 8.902 1.00 0.00 H new ATOM 0 HA ARG A 273 2.143 -12.875 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 273 3.619 -11.882 12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 273 4.600 -12.434 11.061 1.00 0.00 H new ATOM 0 HG2 ARG A 273 4.785 -10.157 10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 273 3.669 -9.561 11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 273 6.153 -11.026 12.290 1.00 0.00 H new ATOM 0 HD3 ARG A 273 6.292 -9.364 11.753 1.00 0.00 H new ATOM 0 HE ARG A 273 4.193 -9.850 13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 273 7.534 -8.933 13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 273 7.743 -8.111 14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 273 4.468 -8.793 15.758 1.00 0.00 H new ATOM 0 HH22 ARG A 273 6.014 -8.032 16.147 1.00 0.00 H new ATOM 709 N GLN A 274 1.520 -9.816 9.940 1.00 0.00 N ATOM 710 CA GLN A 274 0.595 -8.702 10.108 1.00 0.00 C ATOM 711 C GLN A 274 -0.524 -8.761 9.073 1.00 0.00 C ATOM 712 O GLN A 274 -1.554 -8.105 9.222 1.00 0.00 O ATOM 713 CB GLN A 274 1.341 -7.371 9.995 1.00 0.00 C ATOM 714 CG GLN A 274 2.025 -6.945 11.284 1.00 0.00 C ATOM 715 CD GLN A 274 2.936 -5.749 11.093 1.00 0.00 C ATOM 716 OE1 GLN A 274 4.234 -5.956 11.280 1.00 0.00 O flip ATOM 717 NE2 GLN A 274 2.478 -4.649 10.781 1.00 0.00 N flip ATOM 0 H GLN A 274 2.106 -9.756 9.107 1.00 0.00 H new ATOM 0 HA GLN A 274 0.151 -8.779 11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 274 2.089 -7.449 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 274 0.638 -6.595 9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 274 1.268 -6.705 12.030 1.00 0.00 H new ATOM 0 HG3 GLN A 274 2.605 -7.780 11.676 1.00 0.00 H new ATOM 0 HE21 GLN A 274 1.473 -4.534 10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 274 3.103 -3.853 10.656 1.00 0.00 H new ATOM 726 N GLN A 275 -0.312 -9.551 8.025 1.00 0.00 N ATOM 727 CA GLN A 275 -1.302 -9.694 6.965 1.00 0.00 C ATOM 728 C GLN A 275 -1.510 -8.373 6.231 1.00 0.00 C ATOM 729 O GLN A 275 -2.643 -7.970 5.967 1.00 0.00 O ATOM 730 CB GLN A 275 -2.631 -10.185 7.542 1.00 0.00 C ATOM 731 CG GLN A 275 -2.521 -11.506 8.285 1.00 0.00 C ATOM 732 CD GLN A 275 -3.601 -11.678 9.335 1.00 0.00 C ATOM 733 OE1 GLN A 275 -3.749 -10.847 10.232 1.00 0.00 O ATOM 734 NE2 GLN A 275 -4.364 -12.759 9.228 1.00 0.00 N ATOM 0 H GLN A 275 0.536 -10.101 7.888 1.00 0.00 H new ATOM 0 HA GLN A 275 -0.929 -10.430 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 275 -3.025 -9.428 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 275 -3.352 -10.293 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 275 -2.581 -12.326 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 275 -1.543 -11.570 8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 275 -4.206 -13.422 8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 275 -5.108 -12.927 9.905 1.00 0.00 H new ATOM 743 N CYS A 276 -0.409 -7.705 5.905 1.00 0.00 N ATOM 744 CA CYS A 276 -0.471 -6.428 5.202 1.00 0.00 C ATOM 745 C CYS A 276 0.708 -6.276 4.247 1.00 0.00 C ATOM 746 O CYS A 276 1.579 -7.143 4.177 1.00 0.00 O ATOM 747 CB CYS A 276 -0.484 -5.271 6.203 1.00 0.00 C ATOM 748 SG CYS A 276 -1.545 -5.552 7.641 1.00 0.00 S ATOM 0 H CYS A 276 0.536 -8.026 6.116 1.00 0.00 H new ATOM 0 HA CYS A 276 -1.392 -6.406 4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 276 0.535 -5.090 6.546 1.00 0.00 H new ATOM 0 HB3 CYS A 276 -0.814 -4.366 5.692 1.00 0.00 H new ATOM 0 HG CYS A 276 -1.269 -6.710 8.164 1.00 0.00 H new ATOM 754 N ALA A 277 0.729 -5.169 3.512 1.00 0.00 N ATOM 755 CA ALA A 277 1.801 -4.903 2.561 1.00 0.00 C ATOM 756 C ALA A 277 1.985 -3.404 2.346 1.00 0.00 C ATOM 757 O ALA A 277 1.014 -2.648 2.309 1.00 0.00 O ATOM 758 CB ALA A 277 1.516 -5.597 1.237 1.00 0.00 C ATOM 0 H ALA A 277 0.015 -4.442 3.557 1.00 0.00 H new ATOM 0 HA ALA A 277 2.728 -5.300 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 277 2.325 -5.390 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 277 1.442 -6.672 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 277 0.577 -5.226 0.827 1.00 0.00 H new ATOM 764 N PHE A 278 3.237 -2.981 2.205 1.00 0.00 N ATOM 765 CA PHE A 278 3.548 -1.572 1.995 1.00 0.00 C ATOM 766 C PHE A 278 3.971 -1.317 0.551 1.00 0.00 C ATOM 767 O PHE A 278 5.070 -1.691 0.140 1.00 0.00 O ATOM 768 CB PHE A 278 4.658 -1.125 2.949 1.00 0.00 C ATOM 769 CG PHE A 278 4.163 -0.785 4.326 1.00 0.00 C ATOM 770 CD1 PHE A 278 3.587 0.449 4.584 1.00 0.00 C ATOM 771 CD2 PHE A 278 4.274 -1.698 5.362 1.00 0.00 C ATOM 772 CE1 PHE A 278 3.131 0.765 5.850 1.00 0.00 C ATOM 773 CE2 PHE A 278 3.819 -1.387 6.630 1.00 0.00 C ATOM 774 CZ PHE A 278 3.248 -0.154 6.874 1.00 0.00 C ATOM 0 H PHE A 278 4.052 -3.594 2.232 1.00 0.00 H new ATOM 0 HA PHE A 278 2.647 -0.993 2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 278 5.402 -1.918 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 278 5.161 -0.255 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 278 3.493 1.172 3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 278 4.721 -2.664 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 278 2.684 1.730 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 278 3.910 -2.108 7.429 1.00 0.00 H new ATOM 0 HZ PHE A 278 2.893 0.091 7.864 1.00 0.00 H new ATOM 784 N ILE A 279 3.090 -0.680 -0.213 1.00 0.00 N ATOM 785 CA ILE A 279 3.372 -0.375 -1.610 1.00 0.00 C ATOM 786 C ILE A 279 4.042 0.987 -1.752 1.00 0.00 C ATOM 787 O ILE A 279 3.459 2.015 -1.408 1.00 0.00 O ATOM 788 CB ILE A 279 2.087 -0.393 -2.460 1.00 0.00 C ATOM 789 CG1 ILE A 279 1.205 -1.580 -2.066 1.00 0.00 C ATOM 790 CG2 ILE A 279 2.433 -0.452 -3.941 1.00 0.00 C ATOM 791 CD1 ILE A 279 1.768 -2.918 -2.490 1.00 0.00 C ATOM 0 H ILE A 279 2.176 -0.365 0.112 1.00 0.00 H new ATOM 0 HA ILE A 279 4.049 -1.149 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 279 1.532 0.526 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 279 1.069 -1.578 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 279 0.218 -1.453 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 279 1.515 -0.464 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 279 3.026 0.422 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 279 3.006 -1.356 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 279 1.091 -3.713 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 279 1.878 -2.940 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 279 2.742 -3.067 -2.024 1.00 0.00 H new ATOM 803 N GLN A 280 5.270 0.986 -2.260 1.00 0.00 N ATOM 804 CA GLN A 280 6.019 2.223 -2.448 1.00 0.00 C ATOM 805 C GLN A 280 6.075 2.607 -3.923 1.00 0.00 C ATOM 806 O GLN A 280 6.049 1.745 -4.801 1.00 0.00 O ATOM 807 CB GLN A 280 7.437 2.074 -1.894 1.00 0.00 C ATOM 808 CG GLN A 280 8.113 3.400 -1.586 1.00 0.00 C ATOM 809 CD GLN A 280 9.244 3.261 -0.587 1.00 0.00 C ATOM 810 OE1 GLN A 280 9.056 3.463 0.613 1.00 0.00 O ATOM 811 NE2 GLN A 280 10.428 2.914 -1.077 1.00 0.00 N ATOM 0 H GLN A 280 5.767 0.143 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 280 5.505 3.016 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 280 7.402 1.474 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 280 8.044 1.525 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 280 8.500 3.829 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 280 7.373 4.099 -1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 280 10.539 2.756 -2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 280 11.227 2.805 -0.452 1.00 0.00 H new ATOM 820 N PHE A 281 6.151 3.907 -4.188 1.00 0.00 N ATOM 821 CA PHE A 281 6.209 4.406 -5.557 1.00 0.00 C ATOM 822 C PHE A 281 7.348 5.408 -5.723 1.00 0.00 C ATOM 823 O PHE A 281 7.736 6.086 -4.772 1.00 0.00 O ATOM 824 CB PHE A 281 4.880 5.060 -5.941 1.00 0.00 C ATOM 825 CG PHE A 281 3.717 4.110 -5.921 1.00 0.00 C ATOM 826 CD1 PHE A 281 3.407 3.350 -7.038 1.00 0.00 C ATOM 827 CD2 PHE A 281 2.933 3.976 -4.786 1.00 0.00 C ATOM 828 CE1 PHE A 281 2.337 2.475 -7.023 1.00 0.00 C ATOM 829 CE2 PHE A 281 1.862 3.102 -4.765 1.00 0.00 C ATOM 830 CZ PHE A 281 1.564 2.350 -5.885 1.00 0.00 C ATOM 0 H PHE A 281 6.174 4.634 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 281 6.394 3.559 -6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 281 4.678 5.883 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 281 4.971 5.490 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 281 4.008 3.443 -7.930 1.00 0.00 H new ATOM 0 HD2 PHE A 281 3.161 4.561 -3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 281 2.105 1.889 -7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 281 1.259 3.007 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 281 0.728 1.666 -5.871 1.00 0.00 H new ATOM 840 N ALA A 282 7.879 5.494 -6.938 1.00 0.00 N ATOM 841 CA ALA A 282 8.972 6.413 -7.230 1.00 0.00 C ATOM 842 C ALA A 282 8.474 7.852 -7.307 1.00 0.00 C ATOM 843 O ALA A 282 9.190 8.789 -6.949 1.00 0.00 O ATOM 844 CB ALA A 282 9.659 6.020 -8.530 1.00 0.00 C ATOM 0 H ALA A 282 7.570 4.939 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 282 9.694 6.349 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 282 10.473 6.715 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 282 10.058 5.010 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 282 8.938 6.054 -9.347 1.00 0.00 H new ATOM 850 N THR A 283 7.242 8.023 -7.777 1.00 0.00 N ATOM 851 CA THR A 283 6.649 9.348 -7.902 1.00 0.00 C ATOM 852 C THR A 283 5.293 9.411 -7.209 1.00 0.00 C ATOM 853 O THR A 283 4.360 8.699 -7.583 1.00 0.00 O ATOM 854 CB THR A 283 6.477 9.749 -9.380 1.00 0.00 C ATOM 855 OG1 THR A 283 5.818 8.701 -10.098 1.00 0.00 O ATOM 856 CG2 THR A 283 7.825 10.041 -10.022 1.00 0.00 C ATOM 0 H THR A 283 6.636 7.260 -8.077 1.00 0.00 H new ATOM 0 HA THR A 283 7.333 10.047 -7.420 1.00 0.00 H new ATOM 0 HB THR A 283 5.870 10.654 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 283 5.039 8.395 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 283 7.678 10.322 -11.065 1.00 0.00 H new ATOM 0 HG22 THR A 283 8.311 10.859 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 283 8.453 9.151 -9.971 1.00 0.00 H new ATOM 864 N ARG A 284 5.189 10.268 -6.199 1.00 0.00 N ATOM 865 CA ARG A 284 3.946 10.423 -5.453 1.00 0.00 C ATOM 866 C ARG A 284 2.738 10.281 -6.375 1.00 0.00 C ATOM 867 O ARG A 284 1.720 9.705 -5.994 1.00 0.00 O ATOM 868 CB ARG A 284 3.911 11.784 -4.756 1.00 0.00 C ATOM 869 CG ARG A 284 2.603 12.066 -4.035 1.00 0.00 C ATOM 870 CD ARG A 284 2.532 11.336 -2.703 1.00 0.00 C ATOM 871 NE ARG A 284 3.069 12.141 -1.609 1.00 0.00 N ATOM 872 CZ ARG A 284 2.443 13.193 -1.094 1.00 0.00 C ATOM 873 NH1 ARG A 284 1.264 13.566 -1.573 1.00 0.00 N ATOM 874 NH2 ARG A 284 2.996 13.875 -0.099 1.00 0.00 N ATOM 0 H ARG A 284 5.951 10.866 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 284 3.902 9.636 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 284 4.730 11.836 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 284 4.084 12.566 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 284 2.502 13.139 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 284 1.767 11.760 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 284 1.496 11.076 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 284 3.088 10.401 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 284 3.975 11.881 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 284 0.836 13.045 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 284 0.785 14.374 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 284 3.903 13.591 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 284 2.514 14.683 0.295 1.00 0.00 H new ATOM 888 N GLN A 285 2.860 10.811 -7.587 1.00 0.00 N ATOM 889 CA GLN A 285 1.777 10.744 -8.562 1.00 0.00 C ATOM 890 C GLN A 285 1.025 9.422 -8.450 1.00 0.00 C ATOM 891 O GLN A 285 -0.156 9.397 -8.102 1.00 0.00 O ATOM 892 CB GLN A 285 2.328 10.913 -9.979 1.00 0.00 C ATOM 893 CG GLN A 285 1.291 11.396 -10.981 1.00 0.00 C ATOM 894 CD GLN A 285 1.647 11.035 -12.409 1.00 0.00 C ATOM 895 OE1 GLN A 285 2.812 10.798 -12.730 1.00 0.00 O ATOM 896 NE2 GLN A 285 0.643 10.990 -13.277 1.00 0.00 N ATOM 0 H GLN A 285 3.697 11.291 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 285 1.081 11.556 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 285 3.156 11.621 -9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 285 2.733 9.960 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 285 0.322 10.964 -10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 285 1.188 12.478 -10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 285 -0.308 11.194 -12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 285 0.822 10.752 -14.252 1.00 0.00 H new ATOM 905 N ALA A 286 1.716 8.327 -8.747 1.00 0.00 N ATOM 906 CA ALA A 286 1.113 7.001 -8.677 1.00 0.00 C ATOM 907 C ALA A 286 0.569 6.718 -7.281 1.00 0.00 C ATOM 908 O ALA A 286 -0.549 6.227 -7.128 1.00 0.00 O ATOM 909 CB ALA A 286 2.127 5.939 -9.077 1.00 0.00 C ATOM 0 H ALA A 286 2.693 8.331 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 286 0.277 6.971 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 286 1.664 4.954 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 286 2.464 6.123 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 286 2.981 5.978 -8.400 1.00 0.00 H new ATOM 915 N ALA A 287 1.368 7.030 -6.266 1.00 0.00 N ATOM 916 CA ALA A 287 0.965 6.810 -4.882 1.00 0.00 C ATOM 917 C ALA A 287 -0.398 7.433 -4.601 1.00 0.00 C ATOM 918 O ALA A 287 -1.371 6.726 -4.340 1.00 0.00 O ATOM 919 CB ALA A 287 2.011 7.374 -3.932 1.00 0.00 C ATOM 0 H ALA A 287 2.297 7.436 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 287 0.884 5.735 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 287 1.697 7.203 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 287 2.966 6.879 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 287 2.120 8.445 -4.105 1.00 0.00 H new ATOM 925 N GLU A 288 -0.460 8.759 -4.656 1.00 0.00 N ATOM 926 CA GLU A 288 -1.705 9.476 -4.406 1.00 0.00 C ATOM 927 C GLU A 288 -2.877 8.792 -5.104 1.00 0.00 C ATOM 928 O GLU A 288 -3.896 8.491 -4.481 1.00 0.00 O ATOM 929 CB GLU A 288 -1.590 10.926 -4.882 1.00 0.00 C ATOM 930 CG GLU A 288 -1.078 11.878 -3.814 1.00 0.00 C ATOM 931 CD GLU A 288 -1.418 13.325 -4.112 1.00 0.00 C ATOM 932 OE1 GLU A 288 -2.416 13.565 -4.824 1.00 0.00 O ATOM 933 OE2 GLU A 288 -0.687 14.218 -3.634 1.00 0.00 O ATOM 0 H GLU A 288 0.337 9.359 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 288 -1.889 9.467 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 288 -0.922 10.965 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 288 -2.568 11.267 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 288 -1.504 11.600 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 288 0.003 11.773 -3.727 1.00 0.00 H new ATOM 940 N VAL A 289 -2.725 8.550 -6.402 1.00 0.00 N ATOM 941 CA VAL A 289 -3.769 7.901 -7.186 1.00 0.00 C ATOM 942 C VAL A 289 -4.211 6.593 -6.538 1.00 0.00 C ATOM 943 O VAL A 289 -5.358 6.455 -6.114 1.00 0.00 O ATOM 944 CB VAL A 289 -3.295 7.614 -8.623 1.00 0.00 C ATOM 945 CG1 VAL A 289 -4.424 7.015 -9.448 1.00 0.00 C ATOM 946 CG2 VAL A 289 -2.765 8.883 -9.272 1.00 0.00 C ATOM 0 H VAL A 289 -1.889 8.794 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 289 -4.613 8.590 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 289 -2.483 6.888 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -4.071 6.819 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -4.753 6.082 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -5.259 7.715 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -2.434 8.662 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -3.555 9.633 -9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -1.925 9.265 -8.692 1.00 0.00 H new ATOM 956 N ALA A 290 -3.292 5.636 -6.463 1.00 0.00 N ATOM 957 CA ALA A 290 -3.586 4.340 -5.864 1.00 0.00 C ATOM 958 C ALA A 290 -4.264 4.504 -4.508 1.00 0.00 C ATOM 959 O ALA A 290 -5.225 3.801 -4.195 1.00 0.00 O ATOM 960 CB ALA A 290 -2.311 3.523 -5.723 1.00 0.00 C ATOM 0 H ALA A 290 -2.338 5.734 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 290 -4.273 3.810 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 290 -2.545 2.558 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 290 -1.868 3.368 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 290 -1.605 4.057 -5.087 1.00 0.00 H new ATOM 966 N ALA A 291 -3.758 5.435 -3.707 1.00 0.00 N ATOM 967 CA ALA A 291 -4.316 5.691 -2.385 1.00 0.00 C ATOM 968 C ALA A 291 -5.838 5.778 -2.439 1.00 0.00 C ATOM 969 O ALA A 291 -6.536 4.918 -1.903 1.00 0.00 O ATOM 970 CB ALA A 291 -3.733 6.971 -1.804 1.00 0.00 C ATOM 0 H ALA A 291 -2.962 6.025 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 291 -4.048 4.856 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 291 -4.159 7.149 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 291 -2.651 6.872 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 291 -3.971 7.809 -2.459 1.00 0.00 H new ATOM 976 N GLU A 292 -6.344 6.822 -3.088 1.00 0.00 N ATOM 977 CA GLU A 292 -7.783 7.020 -3.210 1.00 0.00 C ATOM 978 C GLU A 292 -8.458 5.775 -3.778 1.00 0.00 C ATOM 979 O GLU A 292 -9.501 5.342 -3.288 1.00 0.00 O ATOM 980 CB GLU A 292 -8.080 8.227 -4.102 1.00 0.00 C ATOM 981 CG GLU A 292 -9.537 8.659 -4.077 1.00 0.00 C ATOM 982 CD GLU A 292 -9.953 9.228 -2.735 1.00 0.00 C ATOM 983 OE1 GLU A 292 -9.115 9.884 -2.082 1.00 0.00 O ATOM 984 OE2 GLU A 292 -11.118 9.017 -2.337 1.00 0.00 O ATOM 0 H GLU A 292 -5.779 7.543 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 292 -8.184 7.206 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -7.456 9.063 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -7.798 7.988 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -9.704 9.407 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -10.170 7.805 -4.317 1.00 0.00 H new ATOM 991 N LYS A 293 -7.855 5.204 -4.815 1.00 0.00 N ATOM 992 CA LYS A 293 -8.395 4.008 -5.451 1.00 0.00 C ATOM 993 C LYS A 293 -8.240 2.792 -4.544 1.00 0.00 C ATOM 994 O LYS A 293 -8.653 1.687 -4.895 1.00 0.00 O ATOM 995 CB LYS A 293 -7.692 3.754 -6.787 1.00 0.00 C ATOM 996 CG LYS A 293 -8.231 4.599 -7.928 1.00 0.00 C ATOM 997 CD LYS A 293 -8.138 3.867 -9.256 1.00 0.00 C ATOM 998 CE LYS A 293 -7.937 4.834 -10.413 1.00 0.00 C ATOM 999 NZ LYS A 293 -7.376 4.155 -11.613 1.00 0.00 N ATOM 0 H LYS A 293 -6.992 5.550 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 293 -9.457 4.171 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 293 -6.627 3.952 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 293 -7.793 2.700 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 293 -9.270 4.862 -7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 293 -7.672 5.533 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 293 -7.310 3.158 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 293 -9.047 3.288 -9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 293 -8.890 5.296 -10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 293 -7.267 5.636 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 293 -7.222 4.854 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 293 -6.470 3.707 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 293 -8.043 3.429 -11.945 1.00 0.00 H new ATOM 1013 N SER A 294 -7.644 3.003 -3.375 1.00 0.00 N ATOM 1014 CA SER A 294 -7.433 1.923 -2.418 1.00 0.00 C ATOM 1015 C SER A 294 -8.156 2.211 -1.105 1.00 0.00 C ATOM 1016 O SER A 294 -8.486 1.296 -0.351 1.00 0.00 O ATOM 1017 CB SER A 294 -5.938 1.729 -2.158 1.00 0.00 C ATOM 1018 OG SER A 294 -5.323 1.023 -3.221 1.00 0.00 O ATOM 0 H SER A 294 -7.299 3.912 -3.068 1.00 0.00 H new ATOM 0 HA SER A 294 -7.842 1.007 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 294 -5.458 2.700 -2.036 1.00 0.00 H new ATOM 0 HB3 SER A 294 -5.796 1.184 -1.225 1.00 0.00 H new ATOM 0 HG SER A 294 -4.380 0.864 -3.006 1.00 0.00 H new ATOM 1024 N PHE A 295 -8.399 3.490 -0.839 1.00 0.00 N ATOM 1025 CA PHE A 295 -9.082 3.901 0.382 1.00 0.00 C ATOM 1026 C PHE A 295 -10.413 3.171 0.532 1.00 0.00 C ATOM 1027 O PHE A 295 -11.396 3.507 -0.127 1.00 0.00 O ATOM 1028 CB PHE A 295 -9.314 5.413 0.378 1.00 0.00 C ATOM 1029 CG PHE A 295 -8.186 6.195 0.988 1.00 0.00 C ATOM 1030 CD1 PHE A 295 -6.875 5.769 0.848 1.00 0.00 C ATOM 1031 CD2 PHE A 295 -8.437 7.355 1.704 1.00 0.00 C ATOM 1032 CE1 PHE A 295 -5.835 6.486 1.408 1.00 0.00 C ATOM 1033 CE2 PHE A 295 -7.401 8.076 2.266 1.00 0.00 C ATOM 1034 CZ PHE A 295 -6.098 7.640 2.119 1.00 0.00 C ATOM 0 H PHE A 295 -8.133 4.260 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 295 -8.447 3.641 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 295 -9.463 5.747 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 295 -10.233 5.633 0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 295 -6.664 4.866 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 295 -9.454 7.699 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 295 -4.817 6.144 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 295 -7.609 8.980 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 295 -5.287 8.201 2.559 1.00 0.00 H new ATOM 1044 N ASN A 296 -10.437 2.169 1.405 1.00 0.00 N ATOM 1045 CA ASN A 296 -11.646 1.389 1.642 1.00 0.00 C ATOM 1046 C ASN A 296 -12.340 1.048 0.327 1.00 0.00 C ATOM 1047 O ASN A 296 -13.554 0.845 0.286 1.00 0.00 O ATOM 1048 CB ASN A 296 -12.605 2.160 2.552 1.00 0.00 C ATOM 1049 CG ASN A 296 -12.944 3.533 2.003 1.00 0.00 C ATOM 1050 OD1 ASN A 296 -12.267 4.517 2.299 1.00 0.00 O ATOM 1051 ND2 ASN A 296 -13.999 3.604 1.200 1.00 0.00 N ATOM 0 H ASN A 296 -9.632 1.878 1.960 1.00 0.00 H new ATOM 0 HA ASN A 296 -11.358 0.459 2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -13.523 1.585 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -12.157 2.267 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -14.277 4.501 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -14.531 2.762 0.982 1.00 0.00 H new ATOM 1058 N LYS A 297 -11.561 0.987 -0.748 1.00 0.00 N ATOM 1059 CA LYS A 297 -12.098 0.669 -2.066 1.00 0.00 C ATOM 1060 C LYS A 297 -11.366 -0.520 -2.679 1.00 0.00 C ATOM 1061 O LYS A 297 -11.923 -1.249 -3.502 1.00 0.00 O ATOM 1062 CB LYS A 297 -11.987 1.882 -2.991 1.00 0.00 C ATOM 1063 CG LYS A 297 -12.927 1.826 -4.183 1.00 0.00 C ATOM 1064 CD LYS A 297 -12.983 3.158 -4.912 1.00 0.00 C ATOM 1065 CE LYS A 297 -11.931 3.240 -6.007 1.00 0.00 C ATOM 1066 NZ LYS A 297 -12.402 2.620 -7.276 1.00 0.00 N ATOM 0 H LYS A 297 -10.555 1.154 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 297 -13.149 0.405 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 297 -12.194 2.786 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 297 -10.961 1.961 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 297 -12.598 1.047 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 297 -13.927 1.552 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 297 -13.973 3.294 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 297 -12.833 3.970 -4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 297 -11.674 4.284 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 297 -11.021 2.740 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 297 -11.657 2.696 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 297 -12.623 1.617 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 297 -13.256 3.113 -7.607 1.00 0.00 H new ATOM 1080 N LEU A 298 -10.115 -0.712 -2.274 1.00 0.00 N ATOM 1081 CA LEU A 298 -9.307 -1.814 -2.783 1.00 0.00 C ATOM 1082 C LEU A 298 -9.848 -3.156 -2.299 1.00 0.00 C ATOM 1083 O LEU A 298 -9.568 -3.580 -1.177 1.00 0.00 O ATOM 1084 CB LEU A 298 -7.851 -1.650 -2.344 1.00 0.00 C ATOM 1085 CG LEU A 298 -6.989 -2.913 -2.388 1.00 0.00 C ATOM 1086 CD1 LEU A 298 -6.690 -3.304 -3.827 1.00 0.00 C ATOM 1087 CD2 LEU A 298 -5.698 -2.705 -1.611 1.00 0.00 C ATOM 0 H LEU A 298 -9.639 -0.119 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 298 -9.356 -1.795 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 298 -7.385 -0.894 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 298 -7.841 -1.263 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 298 -7.544 -3.726 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 298 -6.076 -4.204 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 298 -7.625 -3.495 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 298 -6.155 -2.493 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 298 -5.098 -3.614 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 298 -5.138 -1.879 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 298 -5.932 -2.473 -0.572 1.00 0.00 H new ATOM 1099 N ILE A 299 -10.621 -3.818 -3.151 1.00 0.00 N ATOM 1100 CA ILE A 299 -11.198 -5.113 -2.811 1.00 0.00 C ATOM 1101 C ILE A 299 -10.747 -6.191 -3.791 1.00 0.00 C ATOM 1102 O ILE A 299 -11.324 -6.346 -4.868 1.00 0.00 O ATOM 1103 CB ILE A 299 -12.738 -5.058 -2.799 1.00 0.00 C ATOM 1104 CG1 ILE A 299 -13.222 -3.925 -1.892 1.00 0.00 C ATOM 1105 CG2 ILE A 299 -13.312 -6.391 -2.343 1.00 0.00 C ATOM 1106 CD1 ILE A 299 -14.722 -3.733 -1.913 1.00 0.00 C ATOM 0 H ILE A 299 -10.863 -3.480 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 299 -10.843 -5.363 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 299 -13.088 -4.862 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 299 -12.904 -4.128 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 299 -12.741 -2.996 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 299 -14.401 -6.336 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 299 -12.990 -7.178 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 299 -12.957 -6.615 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 299 -14.993 -2.914 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 299 -15.045 -3.498 -2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 299 -15.211 -4.648 -1.579 1.00 0.00 H new ATOM 1118 N VAL A 300 -9.714 -6.934 -3.410 1.00 0.00 N ATOM 1119 CA VAL A 300 -9.187 -8.000 -4.254 1.00 0.00 C ATOM 1120 C VAL A 300 -9.621 -9.370 -3.745 1.00 0.00 C ATOM 1121 O VAL A 300 -9.742 -9.586 -2.540 1.00 0.00 O ATOM 1122 CB VAL A 300 -7.648 -7.954 -4.321 1.00 0.00 C ATOM 1123 CG1 VAL A 300 -7.117 -9.088 -5.184 1.00 0.00 C ATOM 1124 CG2 VAL A 300 -7.179 -6.607 -4.847 1.00 0.00 C ATOM 0 H VAL A 300 -9.225 -6.818 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 300 -9.592 -7.842 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 300 -7.253 -8.082 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -6.029 -9.039 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -7.424 -10.043 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -7.517 -8.995 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -6.090 -6.592 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -7.582 -6.447 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -7.528 -5.816 -4.184 1.00 0.00 H new ATOM 1134 N ASN A 301 -9.855 -10.293 -4.672 1.00 0.00 N ATOM 1135 CA ASN A 301 -10.277 -11.643 -4.317 1.00 0.00 C ATOM 1136 C ASN A 301 -11.536 -11.611 -3.456 1.00 0.00 C ATOM 1137 O ASN A 301 -11.665 -12.373 -2.499 1.00 0.00 O ATOM 1138 CB ASN A 301 -9.155 -12.372 -3.574 1.00 0.00 C ATOM 1139 CG ASN A 301 -8.079 -12.886 -4.510 1.00 0.00 C ATOM 1140 OD1 ASN A 301 -6.840 -12.472 -4.272 1.00 0.00 O flip ATOM 1141 ND2 ASN A 301 -8.359 -13.646 -5.437 1.00 0.00 N flip ATOM 0 H ASN A 301 -9.760 -10.131 -5.674 1.00 0.00 H new ATOM 0 HA ASN A 301 -10.502 -12.180 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 301 -8.706 -11.696 -2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 301 -9.576 -13.208 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 301 -9.325 -13.938 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 301 -7.625 -13.983 -6.059 1.00 0.00 H new ATOM 1148 N GLY A 302 -12.462 -10.723 -3.805 1.00 0.00 N ATOM 1149 CA GLY A 302 -13.699 -10.609 -3.054 1.00 0.00 C ATOM 1150 C GLY A 302 -13.462 -10.455 -1.565 1.00 0.00 C ATOM 1151 O GLY A 302 -14.264 -10.913 -0.751 1.00 0.00 O ATOM 0 H GLY A 302 -12.378 -10.081 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -14.264 -9.752 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -14.311 -11.493 -3.232 1.00 0.00 H new ATOM 1155 N ARG A 303 -12.356 -9.810 -1.207 1.00 0.00 N ATOM 1156 CA ARG A 303 -12.014 -9.599 0.194 1.00 0.00 C ATOM 1157 C ARG A 303 -11.587 -8.155 0.439 1.00 0.00 C ATOM 1158 O ARG A 303 -10.485 -7.751 0.066 1.00 0.00 O ATOM 1159 CB ARG A 303 -10.894 -10.552 0.616 1.00 0.00 C ATOM 1160 CG ARG A 303 -10.551 -10.472 2.095 1.00 0.00 C ATOM 1161 CD ARG A 303 -9.102 -10.853 2.352 1.00 0.00 C ATOM 1162 NE ARG A 303 -8.882 -11.265 3.736 1.00 0.00 N ATOM 1163 CZ ARG A 303 -8.889 -10.422 4.763 1.00 0.00 C ATOM 1164 NH1 ARG A 303 -9.105 -9.129 4.563 1.00 0.00 N ATOM 1165 NH2 ARG A 303 -8.681 -10.873 5.994 1.00 0.00 N ATOM 0 H ARG A 303 -11.682 -9.425 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 303 -12.901 -9.803 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -11.188 -11.574 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -10.001 -10.331 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -10.732 -9.460 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -11.208 -11.135 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -8.816 -11.664 1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -8.457 -10.005 2.119 1.00 0.00 H new ATOM 0 HE ARG A 303 -8.714 -12.253 3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -9.266 -8.779 3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -9.110 -8.484 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -8.516 -11.867 6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -8.686 -10.225 6.782 1.00 0.00 H new ATOM 1179 N ARG A 304 -12.466 -7.382 1.067 1.00 0.00 N ATOM 1180 CA ARG A 304 -12.181 -5.982 1.360 1.00 0.00 C ATOM 1181 C ARG A 304 -10.820 -5.834 2.033 1.00 0.00 C ATOM 1182 O ARG A 304 -10.388 -6.710 2.785 1.00 0.00 O ATOM 1183 CB ARG A 304 -13.272 -5.394 2.256 1.00 0.00 C ATOM 1184 CG ARG A 304 -13.335 -3.876 2.222 1.00 0.00 C ATOM 1185 CD ARG A 304 -14.093 -3.323 3.419 1.00 0.00 C ATOM 1186 NE ARG A 304 -13.228 -3.154 4.584 1.00 0.00 N ATOM 1187 CZ ARG A 304 -13.529 -2.373 5.616 1.00 0.00 C ATOM 1188 NH1 ARG A 304 -14.666 -1.693 5.627 1.00 0.00 N ATOM 1189 NH2 ARG A 304 -12.690 -2.272 6.639 1.00 0.00 N ATOM 0 H ARG A 304 -13.382 -7.701 1.383 1.00 0.00 H new ATOM 0 HA ARG A 304 -12.162 -5.436 0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 304 -14.238 -5.796 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 304 -13.102 -5.719 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 304 -12.324 -3.469 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 304 -13.820 -3.551 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 304 -14.537 -2.363 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 304 -14.913 -3.995 3.671 1.00 0.00 H new ATOM 0 HE ARG A 304 -12.345 -3.663 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 304 -15.313 -1.768 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 304 -14.894 -1.094 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 304 -11.814 -2.794 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 304 -12.921 -1.672 7.431 1.00 0.00 H new ATOM 1203 N LEU A 305 -10.148 -4.722 1.759 1.00 0.00 N ATOM 1204 CA LEU A 305 -8.835 -4.458 2.338 1.00 0.00 C ATOM 1205 C LEU A 305 -8.764 -3.045 2.907 1.00 0.00 C ATOM 1206 O LEU A 305 -9.368 -2.118 2.369 1.00 0.00 O ATOM 1207 CB LEU A 305 -7.743 -4.651 1.284 1.00 0.00 C ATOM 1208 CG LEU A 305 -7.801 -5.956 0.488 1.00 0.00 C ATOM 1209 CD1 LEU A 305 -6.703 -5.990 -0.563 1.00 0.00 C ATOM 1210 CD2 LEU A 305 -7.688 -7.154 1.419 1.00 0.00 C ATOM 0 H LEU A 305 -10.490 -3.988 1.139 1.00 0.00 H new ATOM 0 HA LEU A 305 -8.676 -5.165 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.792 -3.818 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -6.774 -4.594 1.779 1.00 0.00 H new ATOM 0 HG LEU A 305 -8.764 -6.006 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -6.760 -6.926 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -6.830 -5.152 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -5.731 -5.916 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -7.731 -8.074 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.741 -7.109 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -8.511 -7.139 2.133 1.00 0.00 H new ATOM 1222 N ASN A 306 -8.020 -2.888 3.997 1.00 0.00 N ATOM 1223 CA ASN A 306 -7.869 -1.587 4.638 1.00 0.00 C ATOM 1224 C ASN A 306 -6.568 -0.916 4.207 1.00 0.00 C ATOM 1225 O ASN A 306 -5.482 -1.316 4.625 1.00 0.00 O ATOM 1226 CB ASN A 306 -7.897 -1.739 6.160 1.00 0.00 C ATOM 1227 CG ASN A 306 -8.430 -0.501 6.855 1.00 0.00 C ATOM 1228 OD1 ASN A 306 -8.580 0.554 6.239 1.00 0.00 O ATOM 1229 ND2 ASN A 306 -8.719 -0.625 8.146 1.00 0.00 N ATOM 0 H ASN A 306 -7.512 -3.645 4.455 1.00 0.00 H new ATOM 0 HA ASN A 306 -8.703 -0.957 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 306 -8.516 -2.596 6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 306 -6.890 -1.949 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 306 -9.081 0.174 8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 306 -8.579 -1.519 8.616 1.00 0.00 H new ATOM 1236 N VAL A 307 -6.687 0.108 3.367 1.00 0.00 N ATOM 1237 CA VAL A 307 -5.522 0.836 2.880 1.00 0.00 C ATOM 1238 C VAL A 307 -5.400 2.196 3.560 1.00 0.00 C ATOM 1239 O VAL A 307 -6.391 2.902 3.743 1.00 0.00 O ATOM 1240 CB VAL A 307 -5.586 1.041 1.355 1.00 0.00 C ATOM 1241 CG1 VAL A 307 -4.406 1.874 0.878 1.00 0.00 C ATOM 1242 CG2 VAL A 307 -5.626 -0.300 0.639 1.00 0.00 C ATOM 0 H VAL A 307 -7.579 0.452 3.010 1.00 0.00 H new ATOM 0 HA VAL A 307 -4.647 0.232 3.122 1.00 0.00 H new ATOM 0 HB VAL A 307 -6.502 1.582 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 307 -4.468 2.008 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 307 -4.427 2.848 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 307 -3.476 1.363 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 307 -5.671 -0.136 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 307 -4.729 -0.869 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 307 -6.507 -0.857 0.959 1.00 0.00 H new ATOM 1252 N LYS A 308 -4.177 2.557 3.932 1.00 0.00 N ATOM 1253 CA LYS A 308 -3.922 3.833 4.590 1.00 0.00 C ATOM 1254 C LYS A 308 -2.512 4.329 4.289 1.00 0.00 C ATOM 1255 O LYS A 308 -1.591 3.533 4.099 1.00 0.00 O ATOM 1256 CB LYS A 308 -4.115 3.697 6.102 1.00 0.00 C ATOM 1257 CG LYS A 308 -3.743 2.327 6.642 1.00 0.00 C ATOM 1258 CD LYS A 308 -3.842 2.279 8.158 1.00 0.00 C ATOM 1259 CE LYS A 308 -3.917 0.848 8.666 1.00 0.00 C ATOM 1260 NZ LYS A 308 -4.645 0.757 9.962 1.00 0.00 N ATOM 0 H LYS A 308 -3.346 1.983 3.789 1.00 0.00 H new ATOM 0 HA LYS A 308 -4.634 4.562 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -3.513 4.453 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -5.157 3.904 6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -4.401 1.573 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -2.727 2.077 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -2.977 2.777 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -4.725 2.829 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -4.417 0.225 7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -2.909 0.452 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -4.675 -0.234 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -4.154 1.331 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -5.615 1.111 9.841 1.00 0.00 H new ATOM 1274 N TRP A 309 -2.349 5.646 4.248 1.00 0.00 N ATOM 1275 CA TRP A 309 -1.049 6.247 3.971 1.00 0.00 C ATOM 1276 C TRP A 309 -0.002 5.763 4.968 1.00 0.00 C ATOM 1277 O TRP A 309 -0.286 5.607 6.154 1.00 0.00 O ATOM 1278 CB TRP A 309 -1.149 7.773 4.019 1.00 0.00 C ATOM 1279 CG TRP A 309 -1.698 8.372 2.759 1.00 0.00 C ATOM 1280 CD1 TRP A 309 -2.925 8.948 2.592 1.00 0.00 C ATOM 1281 CD2 TRP A 309 -1.039 8.452 1.491 1.00 0.00 C ATOM 1282 NE1 TRP A 309 -3.068 9.381 1.296 1.00 0.00 N ATOM 1283 CE2 TRP A 309 -1.925 9.089 0.600 1.00 0.00 C ATOM 1284 CE3 TRP A 309 0.214 8.049 1.021 1.00 0.00 C ATOM 1285 CZ2 TRP A 309 -1.596 9.331 -0.731 1.00 0.00 C ATOM 1286 CZ3 TRP A 309 0.538 8.289 -0.301 1.00 0.00 C ATOM 1287 CH2 TRP A 309 -0.363 8.925 -1.164 1.00 0.00 C ATOM 0 H TRP A 309 -3.100 6.318 4.403 1.00 0.00 H new ATOM 0 HA TRP A 309 -0.741 5.941 2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 309 -1.783 8.062 4.857 1.00 0.00 H new ATOM 0 HB3 TRP A 309 -0.160 8.189 4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 309 -3.673 9.048 3.365 1.00 0.00 H new ATOM 0 HE1 TRP A 309 -3.892 9.845 0.914 1.00 0.00 H new ATOM 0 HE3 TRP A 309 0.916 7.559 1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 309 -2.289 9.822 -1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 309 1.503 7.981 -0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 309 -0.079 9.098 -2.191 1.00 0.00 H new ATOM 1298 N GLY A 310 1.211 5.526 4.477 1.00 0.00 N ATOM 1299 CA GLY A 310 2.282 5.061 5.340 1.00 0.00 C ATOM 1300 C GLY A 310 2.921 6.187 6.128 1.00 0.00 C ATOM 1301 O GLY A 310 2.237 6.917 6.846 1.00 0.00 O ATOM 0 H GLY A 310 1.471 5.648 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 310 1.890 4.315 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 310 3.043 4.567 4.736 1.00 0.00 H new