USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 498 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot -88:sc= 0.185 USER MOD Single : A 486 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 SER OG : rot -26:sc= 0.0568 USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ -170:sc= 0.0243 (180deg=0.013) USER MOD Single : A 523 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 30:sc= 1.21 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.337 14.515 7.033 1.00 0.00 N ATOM 118 CA TRP A 482 9.926 15.698 7.800 1.00 0.00 C ATOM 119 C TRP A 482 8.949 15.339 8.937 1.00 0.00 C ATOM 120 O TRP A 482 8.241 14.327 8.883 1.00 0.00 O ATOM 121 CB TRP A 482 9.284 16.737 6.863 1.00 0.00 C ATOM 122 CG TRP A 482 10.165 17.323 5.798 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.472 16.731 4.621 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.825 18.630 5.763 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.262 17.578 3.863 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.528 18.753 4.529 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.900 19.730 6.644 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.282 19.889 4.197 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.631 20.888 6.316 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.330 20.967 5.098 1.00 0.00 C ATOM 0 HA TRP A 482 10.821 16.120 8.257 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.426 16.272 6.377 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.900 17.554 7.474 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.149 15.746 4.318 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.604 17.359 2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.385 19.683 7.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.819 19.935 3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.655 21.720 7.004 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.901 21.851 4.856 1.00 0.00 H new ATOM 141 N VAL A 483 8.866 16.215 9.936 1.00 0.00 N ATOM 142 CA VAL A 483 7.924 16.143 11.064 1.00 0.00 C ATOM 143 C VAL A 483 7.137 17.446 11.175 1.00 0.00 C ATOM 144 O VAL A 483 7.649 18.534 10.890 1.00 0.00 O ATOM 145 CB VAL A 483 8.626 15.816 12.403 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.072 14.352 12.434 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.831 16.715 12.715 1.00 0.00 C ATOM 0 H VAL A 483 9.476 17.031 9.989 1.00 0.00 H new ATOM 0 HA VAL A 483 7.237 15.322 10.860 1.00 0.00 H new ATOM 0 HB VAL A 483 7.879 16.007 13.174 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.564 14.141 13.384 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.202 13.704 12.324 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.768 14.166 11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.267 16.421 13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.577 16.609 11.928 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.506 17.754 12.769 1.00 0.00 H new ATOM 157 N LEU A 484 5.882 17.322 11.606 1.00 0.00 N ATOM 158 CA LEU A 484 5.001 18.447 11.911 1.00 0.00 C ATOM 159 C LEU A 484 4.855 18.561 13.431 1.00 0.00 C ATOM 160 O LEU A 484 4.503 17.588 14.103 1.00 0.00 O ATOM 161 CB LEU A 484 3.642 18.231 11.217 1.00 0.00 C ATOM 162 CG LEU A 484 2.757 19.495 11.174 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.420 20.659 10.429 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.446 19.166 10.461 1.00 0.00 C ATOM 0 H LEU A 484 5.440 16.415 11.756 1.00 0.00 H new ATOM 0 HA LEU A 484 5.420 19.382 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.816 17.886 10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.102 17.438 11.735 1.00 0.00 H new ATOM 0 HG LEU A 484 2.592 19.802 12.207 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.752 21.520 10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.354 20.923 10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.627 20.362 9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.817 20.055 10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.658 18.833 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.927 18.374 11.001 1.00 0.00 H new ATOM 176 N CYS A 485 5.148 19.734 13.988 1.00 0.00 N ATOM 177 CA CYS A 485 5.040 19.959 15.427 1.00 0.00 C ATOM 178 C CYS A 485 3.570 19.899 15.895 1.00 0.00 C ATOM 179 O CYS A 485 2.697 20.540 15.304 1.00 0.00 O ATOM 180 CB CYS A 485 5.668 21.315 15.742 1.00 0.00 C ATOM 181 SG CYS A 485 6.137 21.345 17.487 1.00 0.00 S ATOM 0 H CYS A 485 5.464 20.548 13.460 1.00 0.00 H new ATOM 0 HA CYS A 485 5.569 19.172 15.966 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.542 21.482 15.113 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.962 22.117 15.526 1.00 0.00 H new ATOM 0 HG CYS A 485 5.134 21.767 18.199 1.00 0.00 H new ATOM 187 N ASN A 486 3.288 19.150 16.964 1.00 0.00 N ATOM 188 CA ASN A 486 1.944 18.994 17.532 1.00 0.00 C ATOM 189 C ASN A 486 1.621 20.069 18.594 1.00 0.00 C ATOM 190 O ASN A 486 0.457 20.436 18.770 1.00 0.00 O ATOM 191 CB ASN A 486 1.831 17.572 18.122 1.00 0.00 C ATOM 192 CG ASN A 486 0.406 17.034 18.199 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.576 17.665 17.828 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.244 15.811 18.657 1.00 0.00 N ATOM 0 H ASN A 486 4.001 18.624 17.470 1.00 0.00 H new ATOM 0 HA ASN A 486 1.208 19.132 16.740 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.431 16.892 17.517 1.00 0.00 H new ATOM 0 HB3 ASN A 486 2.261 17.572 19.124 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.689 15.402 18.699 1.00 0.00 H new ATOM 0 HD22 ASN A 486 1.052 15.272 18.970 1.00 0.00 H new ATOM 201 N TYR A 487 2.649 20.600 19.275 1.00 0.00 N ATOM 202 CA TYR A 487 2.534 21.566 20.378 1.00 0.00 C ATOM 203 C TYR A 487 3.754 22.504 20.412 1.00 0.00 C ATOM 204 O TYR A 487 4.892 22.043 20.338 1.00 0.00 O ATOM 205 CB TYR A 487 2.450 20.816 21.721 1.00 0.00 C ATOM 206 CG TYR A 487 1.333 19.791 21.825 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.021 20.202 22.129 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.606 18.430 21.582 1.00 0.00 C ATOM 209 CE1 TYR A 487 -1.020 19.254 22.176 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.568 17.481 21.620 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.752 17.892 21.914 1.00 0.00 C ATOM 212 OH TYR A 487 -1.767 16.987 21.949 1.00 0.00 O ATOM 0 H TYR A 487 3.618 20.359 19.065 1.00 0.00 H new ATOM 0 HA TYR A 487 1.632 22.157 20.219 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.400 20.312 21.897 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.325 21.547 22.519 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.187 21.243 22.326 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.616 18.114 21.366 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -2.025 19.569 22.413 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.780 16.440 21.425 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.417 16.095 21.746 1.00 0.00 H new ATOM 222 N ASP A 488 3.536 23.816 20.543 1.00 0.00 N ATOM 223 CA ASP A 488 4.626 24.798 20.659 1.00 0.00 C ATOM 224 C ASP A 488 5.528 24.568 21.893 1.00 0.00 C ATOM 225 O ASP A 488 5.083 24.062 22.930 1.00 0.00 O ATOM 226 CB ASP A 488 4.060 26.226 20.652 1.00 0.00 C ATOM 227 CG ASP A 488 3.367 26.608 21.971 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.175 26.262 22.157 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.003 27.287 22.815 1.00 0.00 O ATOM 0 H ASP A 488 2.604 24.229 20.572 1.00 0.00 H new ATOM 0 HA ASP A 488 5.266 24.660 19.788 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.869 26.930 20.457 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.348 26.324 19.833 1.00 0.00 H new ATOM 234 N PHE A 489 6.799 24.971 21.785 1.00 0.00 N ATOM 235 CA PHE A 489 7.812 24.825 22.839 1.00 0.00 C ATOM 236 C PHE A 489 8.904 25.890 22.680 1.00 0.00 C ATOM 237 O PHE A 489 9.476 26.048 21.597 1.00 0.00 O ATOM 238 CB PHE A 489 8.392 23.404 22.760 1.00 0.00 C ATOM 239 CG PHE A 489 9.520 23.062 23.720 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.229 22.617 25.024 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.860 23.110 23.286 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.269 22.225 25.888 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.897 22.696 24.142 1.00 0.00 C ATOM 244 CZ PHE A 489 11.604 22.262 25.445 1.00 0.00 C ATOM 0 H PHE A 489 7.161 25.418 20.943 1.00 0.00 H new ATOM 0 HA PHE A 489 7.362 24.972 23.821 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.579 22.697 22.927 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.752 23.241 21.744 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.204 22.576 25.362 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.092 23.466 22.293 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.042 21.896 26.891 1.00 0.00 H new ATOM 0 HE2 PHE A 489 12.920 22.712 23.796 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.402 21.957 26.106 1.00 0.00 H new ATOM 254 N GLN A 490 9.193 26.625 23.758 1.00 0.00 N ATOM 255 CA GLN A 490 10.240 27.649 23.796 1.00 0.00 C ATOM 256 C GLN A 490 11.556 27.047 24.318 1.00 0.00 C ATOM 257 O GLN A 490 11.597 26.436 25.390 1.00 0.00 O ATOM 258 CB GLN A 490 9.766 28.828 24.662 1.00 0.00 C ATOM 259 CG GLN A 490 10.718 30.032 24.561 1.00 0.00 C ATOM 260 CD GLN A 490 10.213 31.220 25.379 1.00 0.00 C ATOM 261 OE1 GLN A 490 10.287 31.245 26.602 1.00 0.00 O ATOM 262 NE2 GLN A 490 9.682 32.247 24.747 1.00 0.00 N ATOM 0 H GLN A 490 8.697 26.523 24.644 1.00 0.00 H new ATOM 0 HA GLN A 490 10.432 28.021 22.789 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.766 29.129 24.350 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.693 28.509 25.702 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.709 29.743 24.912 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.823 30.327 23.517 1.00 0.00 H new ATOM 0 HE21 GLN A 490 9.614 32.240 23.729 1.00 0.00 H new ATOM 0 HE22 GLN A 490 9.339 33.049 25.275 1.00 0.00 H new ATOM 271 N ALA A 491 12.633 27.239 23.553 1.00 0.00 N ATOM 272 CA ALA A 491 13.963 26.698 23.826 1.00 0.00 C ATOM 273 C ALA A 491 15.029 27.616 23.202 1.00 0.00 C ATOM 274 O ALA A 491 15.023 27.843 21.991 1.00 0.00 O ATOM 275 CB ALA A 491 14.036 25.277 23.262 1.00 0.00 C ATOM 0 H ALA A 491 12.600 27.794 22.698 1.00 0.00 H new ATOM 0 HA ALA A 491 14.152 26.655 24.899 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.023 24.858 23.457 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.278 24.657 23.740 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.859 25.303 22.187 1.00 0.00 H new ATOM 330 N SER A 495 22.300 24.652 23.444 1.00 0.00 N ATOM 331 CA SER A 495 22.027 23.732 22.323 1.00 0.00 C ATOM 332 C SER A 495 20.536 23.370 22.196 1.00 0.00 C ATOM 333 O SER A 495 20.182 22.207 22.008 1.00 0.00 O ATOM 334 CB SER A 495 22.922 22.482 22.414 1.00 0.00 C ATOM 335 OG SER A 495 22.796 21.814 23.662 1.00 0.00 O ATOM 0 HA SER A 495 22.280 24.261 21.404 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.663 21.794 21.609 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.962 22.772 22.264 1.00 0.00 H new ATOM 0 HG SER A 495 22.519 22.455 24.350 1.00 0.00 H new ATOM 341 N GLU A 496 19.633 24.347 22.313 1.00 0.00 N ATOM 342 CA GLU A 496 18.183 24.154 22.120 1.00 0.00 C ATOM 343 C GLU A 496 17.585 25.271 21.240 1.00 0.00 C ATOM 344 O GLU A 496 18.106 26.389 21.196 1.00 0.00 O ATOM 345 CB GLU A 496 17.459 24.066 23.475 1.00 0.00 C ATOM 346 CG GLU A 496 17.886 22.860 24.323 1.00 0.00 C ATOM 347 CD GLU A 496 17.137 22.777 25.669 1.00 0.00 C ATOM 348 OE1 GLU A 496 15.881 22.763 25.687 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.809 22.689 26.727 1.00 0.00 O ATOM 0 H GLU A 496 19.885 25.307 22.547 1.00 0.00 H new ATOM 0 HA GLU A 496 18.035 23.209 21.598 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.647 24.980 24.038 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.384 24.015 23.301 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.710 21.945 23.758 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.958 22.917 24.512 1.00 0.00 H new ATOM 356 N LEU A 497 16.484 24.963 20.541 1.00 0.00 N ATOM 357 CA LEU A 497 15.795 25.865 19.604 1.00 0.00 C ATOM 358 C LEU A 497 14.261 25.726 19.715 1.00 0.00 C ATOM 359 O LEU A 497 13.738 24.613 19.809 1.00 0.00 O ATOM 360 CB LEU A 497 16.263 25.517 18.179 1.00 0.00 C ATOM 361 CG LEU A 497 15.789 26.548 17.134 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.927 27.480 16.714 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.218 25.838 15.914 1.00 0.00 C ATOM 0 H LEU A 497 16.033 24.051 20.613 1.00 0.00 H new ATOM 0 HA LEU A 497 16.041 26.899 19.846 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.351 25.460 18.161 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.888 24.530 17.907 1.00 0.00 H new ATOM 0 HG LEU A 497 15.009 27.154 17.594 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.559 28.194 15.977 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.298 28.018 17.587 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.736 26.893 16.279 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.887 26.577 15.184 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.986 25.206 15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.371 25.221 16.215 1.00 0.00 H new ATOM 375 N SER A 498 13.539 26.851 19.693 1.00 0.00 N ATOM 376 CA SER A 498 12.073 26.900 19.770 1.00 0.00 C ATOM 377 C SER A 498 11.372 26.347 18.517 1.00 0.00 C ATOM 378 O SER A 498 11.941 26.304 17.422 1.00 0.00 O ATOM 379 CB SER A 498 11.602 28.336 20.041 1.00 0.00 C ATOM 380 OG SER A 498 11.900 29.198 18.955 1.00 0.00 O ATOM 0 H SER A 498 13.966 27.774 19.620 1.00 0.00 H new ATOM 0 HA SER A 498 11.790 26.250 20.598 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.527 28.338 20.224 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.080 28.711 20.946 1.00 0.00 H new ATOM 0 HG SER A 498 11.585 30.103 19.160 1.00 0.00 H new ATOM 386 N VAL A 499 10.098 25.972 18.676 1.00 0.00 N ATOM 387 CA VAL A 499 9.230 25.400 17.627 1.00 0.00 C ATOM 388 C VAL A 499 7.763 25.806 17.820 1.00 0.00 C ATOM 389 O VAL A 499 7.354 26.199 18.916 1.00 0.00 O ATOM 390 CB VAL A 499 9.317 23.861 17.576 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.707 23.357 17.177 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.940 23.177 18.896 1.00 0.00 C ATOM 0 H VAL A 499 9.619 26.060 19.572 1.00 0.00 H new ATOM 0 HA VAL A 499 9.596 25.806 16.684 1.00 0.00 H new ATOM 0 HB VAL A 499 8.587 23.592 16.812 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.707 22.267 17.158 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.962 23.737 16.188 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.443 23.708 17.901 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.025 22.096 18.783 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.613 23.513 19.685 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.914 23.435 19.159 1.00 0.00 H new ATOM 402 N LYS A 500 6.963 25.687 16.750 1.00 0.00 N ATOM 403 CA LYS A 500 5.563 26.146 16.676 1.00 0.00 C ATOM 404 C LYS A 500 4.687 25.087 16.007 1.00 0.00 C ATOM 405 O LYS A 500 5.153 24.390 15.110 1.00 0.00 O ATOM 406 CB LYS A 500 5.468 27.476 15.888 1.00 0.00 C ATOM 407 CG LYS A 500 6.578 28.508 16.167 1.00 0.00 C ATOM 408 CD LYS A 500 7.740 28.423 15.157 1.00 0.00 C ATOM 409 CE LYS A 500 8.768 29.555 15.296 1.00 0.00 C ATOM 410 NZ LYS A 500 9.423 29.607 16.633 1.00 0.00 N ATOM 0 H LYS A 500 7.281 25.255 15.882 1.00 0.00 H new ATOM 0 HA LYS A 500 5.206 26.311 17.693 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.474 27.245 14.823 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.506 27.938 16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 500 6.151 29.511 16.139 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.966 28.354 17.174 1.00 0.00 H new ATOM 0 HD2 LYS A 500 8.248 27.467 15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 500 7.332 28.438 14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 500 9.534 29.434 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 500 8.274 30.508 15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 10.103 30.393 16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 8.701 29.752 17.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 9.922 28.712 16.810 1.00 0.00 H new ATOM 424 N GLN A 501 3.407 25.016 16.376 1.00 0.00 N ATOM 425 CA GLN A 501 2.425 24.019 15.898 1.00 0.00 C ATOM 426 C GLN A 501 2.144 24.065 14.373 1.00 0.00 C ATOM 427 O GLN A 501 1.510 23.165 13.818 1.00 0.00 O ATOM 428 CB GLN A 501 1.148 24.198 16.745 1.00 0.00 C ATOM 429 CG GLN A 501 0.093 23.091 16.559 1.00 0.00 C ATOM 430 CD GLN A 501 -1.088 23.207 17.527 1.00 0.00 C ATOM 431 OE1 GLN A 501 -0.993 23.706 18.644 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.267 22.774 17.125 1.00 0.00 N ATOM 0 H GLN A 501 3.002 25.674 17.042 1.00 0.00 H new ATOM 0 HA GLN A 501 2.844 23.022 16.033 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.429 24.240 17.797 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.695 25.158 16.497 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.281 23.124 15.536 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.569 22.120 16.693 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.369 22.356 16.200 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.077 22.857 17.739 1.00 0.00 H new ATOM 441 N ARG A 502 2.651 25.093 13.677 1.00 0.00 N ATOM 442 CA ARG A 502 2.494 25.326 12.227 1.00 0.00 C ATOM 443 C ARG A 502 3.829 25.381 11.465 1.00 0.00 C ATOM 444 O ARG A 502 3.886 25.895 10.347 1.00 0.00 O ATOM 445 CB ARG A 502 1.597 26.560 12.005 1.00 0.00 C ATOM 446 CG ARG A 502 2.196 27.869 12.552 1.00 0.00 C ATOM 447 CD ARG A 502 1.299 29.067 12.216 1.00 0.00 C ATOM 448 NE ARG A 502 1.929 30.340 12.622 1.00 0.00 N ATOM 449 CZ ARG A 502 1.923 30.900 13.820 1.00 0.00 C ATOM 450 NH1 ARG A 502 1.290 30.381 14.836 1.00 0.00 N ATOM 451 NH2 ARG A 502 2.571 32.011 14.023 1.00 0.00 N ATOM 0 H ARG A 502 3.208 25.820 14.127 1.00 0.00 H new ATOM 0 HA ARG A 502 1.994 24.461 11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.410 26.675 10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.632 26.386 12.480 1.00 0.00 H new ATOM 0 HG2 ARG A 502 2.318 27.793 13.632 1.00 0.00 H new ATOM 0 HG3 ARG A 502 3.189 28.023 12.129 1.00 0.00 H new ATOM 0 HD2 ARG A 502 1.097 29.084 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 502 0.338 28.957 12.719 1.00 0.00 H new ATOM 0 HE ARG A 502 2.428 30.847 11.891 1.00 0.00 H new ATOM 0 HH11 ARG A 502 0.773 29.509 14.723 1.00 0.00 H new ATOM 0 HH12 ARG A 502 1.312 30.847 15.743 1.00 0.00 H new ATOM 0 HH21 ARG A 502 3.083 32.450 13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 502 2.566 32.443 14.947 1.00 0.00 H new ATOM 465 N ASP A 503 4.902 24.859 12.064 1.00 0.00 N ATOM 466 CA ASP A 503 6.267 24.875 11.517 1.00 0.00 C ATOM 467 C ASP A 503 6.732 23.448 11.147 1.00 0.00 C ATOM 468 O ASP A 503 6.659 22.522 11.963 1.00 0.00 O ATOM 469 CB ASP A 503 7.199 25.552 12.535 1.00 0.00 C ATOM 470 CG ASP A 503 8.469 26.116 11.879 1.00 0.00 C ATOM 471 OD1 ASP A 503 9.242 25.338 11.279 1.00 0.00 O ATOM 472 OD2 ASP A 503 8.692 27.349 11.956 1.00 0.00 O ATOM 0 H ASP A 503 4.846 24.398 12.972 1.00 0.00 H new ATOM 0 HA ASP A 503 6.292 25.450 10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.662 26.358 13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.479 24.831 13.303 1.00 0.00 H new ATOM 477 N VAL A 504 7.170 23.264 9.895 1.00 0.00 N ATOM 478 CA VAL A 504 7.626 21.977 9.334 1.00 0.00 C ATOM 479 C VAL A 504 9.150 21.858 9.486 1.00 0.00 C ATOM 480 O VAL A 504 9.888 22.764 9.087 1.00 0.00 O ATOM 481 CB VAL A 504 7.255 21.848 7.838 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.334 20.386 7.389 1.00 0.00 C ATOM 483 CG2 VAL A 504 5.837 22.338 7.506 1.00 0.00 C ATOM 0 H VAL A 504 7.220 24.027 9.220 1.00 0.00 H new ATOM 0 HA VAL A 504 7.128 21.178 9.883 1.00 0.00 H new ATOM 0 HB VAL A 504 7.975 22.478 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.070 20.315 6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 504 8.348 20.015 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 504 6.640 19.786 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 504 5.650 22.216 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 504 5.109 21.755 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.744 23.391 7.772 1.00 0.00 H new ATOM 493 N LEU A 505 9.632 20.740 10.043 1.00 0.00 N ATOM 494 CA LEU A 505 11.030 20.567 10.470 1.00 0.00 C ATOM 495 C LEU A 505 11.612 19.241 9.948 1.00 0.00 C ATOM 496 O LEU A 505 10.888 18.255 9.800 1.00 0.00 O ATOM 497 CB LEU A 505 11.078 20.627 12.010 1.00 0.00 C ATOM 498 CG LEU A 505 10.583 21.957 12.622 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.326 21.796 14.118 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.601 23.081 12.424 1.00 0.00 C ATOM 0 H LEU A 505 9.055 19.917 10.213 1.00 0.00 H new ATOM 0 HA LEU A 505 11.642 21.366 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.475 19.812 12.410 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.104 20.453 12.335 1.00 0.00 H new ATOM 0 HG LEU A 505 9.658 22.218 12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.978 22.743 14.531 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.567 21.030 14.276 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.249 21.500 14.616 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.219 24.001 12.867 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.541 22.810 12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.770 23.235 11.358 1.00 0.00 H new ATOM 512 N GLU A 506 12.916 19.203 9.661 1.00 0.00 N ATOM 513 CA GLU A 506 13.569 18.066 8.986 1.00 0.00 C ATOM 514 C GLU A 506 14.492 17.312 9.953 1.00 0.00 C ATOM 515 O GLU A 506 15.434 17.890 10.499 1.00 0.00 O ATOM 516 CB GLU A 506 14.300 18.570 7.728 1.00 0.00 C ATOM 517 CG GLU A 506 14.644 17.466 6.714 1.00 0.00 C ATOM 518 CD GLU A 506 16.147 17.123 6.686 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.967 17.993 6.299 1.00 0.00 O ATOM 520 OE2 GLU A 506 16.519 15.968 7.003 1.00 0.00 O ATOM 0 H GLU A 506 13.557 19.963 9.890 1.00 0.00 H new ATOM 0 HA GLU A 506 12.817 17.345 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.679 19.319 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.221 19.069 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 506 14.076 16.568 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.330 17.783 5.719 1.00 0.00 H new ATOM 527 N VAL A 507 14.175 16.037 10.220 1.00 0.00 N ATOM 528 CA VAL A 507 14.829 15.207 11.250 1.00 0.00 C ATOM 529 C VAL A 507 16.251 14.814 10.846 1.00 0.00 C ATOM 530 O VAL A 507 16.468 14.163 9.820 1.00 0.00 O ATOM 531 CB VAL A 507 14.003 13.944 11.569 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.631 13.130 12.711 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.578 14.309 12.002 1.00 0.00 C ATOM 0 H VAL A 507 13.441 15.540 9.716 1.00 0.00 H new ATOM 0 HA VAL A 507 14.887 15.819 12.150 1.00 0.00 H new ATOM 0 HB VAL A 507 13.986 13.354 10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.021 12.248 12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.637 12.820 12.427 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.681 13.744 13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.020 13.399 12.220 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.618 14.933 12.895 1.00 0.00 H new ATOM 0 HG23 VAL A 507 12.082 14.855 11.199 1.00 0.00 H new ATOM 543 N LEU A 508 17.216 15.167 11.699 1.00 0.00 N ATOM 544 CA LEU A 508 18.647 14.929 11.496 1.00 0.00 C ATOM 545 C LEU A 508 19.168 13.744 12.327 1.00 0.00 C ATOM 546 O LEU A 508 20.028 12.996 11.856 1.00 0.00 O ATOM 547 CB LEU A 508 19.422 16.201 11.884 1.00 0.00 C ATOM 548 CG LEU A 508 19.011 17.490 11.151 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.850 18.643 11.701 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.215 17.395 9.640 1.00 0.00 C ATOM 0 H LEU A 508 17.016 15.642 12.579 1.00 0.00 H new ATOM 0 HA LEU A 508 18.799 14.682 10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.304 16.362 12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.483 16.026 11.703 1.00 0.00 H new ATOM 0 HG LEU A 508 17.947 17.653 11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.574 19.568 11.194 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.668 18.747 12.771 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.907 18.437 11.531 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.909 18.331 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.267 17.209 9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.614 16.577 9.242 1.00 0.00 H new ATOM 562 N ASP A 509 18.646 13.561 13.544 1.00 0.00 N ATOM 563 CA ASP A 509 19.016 12.472 14.457 1.00 0.00 C ATOM 564 C ASP A 509 17.893 12.169 15.468 1.00 0.00 C ATOM 565 O ASP A 509 17.194 13.073 15.933 1.00 0.00 O ATOM 566 CB ASP A 509 20.310 12.848 15.202 1.00 0.00 C ATOM 567 CG ASP A 509 20.856 11.695 16.061 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.886 10.535 15.585 1.00 0.00 O ATOM 569 OD2 ASP A 509 21.265 11.944 17.220 1.00 0.00 O ATOM 0 H ASP A 509 17.936 14.182 13.932 1.00 0.00 H new ATOM 0 HA ASP A 509 19.176 11.571 13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.068 13.147 14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.120 13.712 15.839 1.00 0.00 H new ATOM 574 N ASP A 510 17.755 10.892 15.829 1.00 0.00 N ATOM 575 CA ASP A 510 16.682 10.325 16.663 1.00 0.00 C ATOM 576 C ASP A 510 17.212 9.343 17.739 1.00 0.00 C ATOM 577 O ASP A 510 16.464 8.527 18.284 1.00 0.00 O ATOM 578 CB ASP A 510 15.619 9.677 15.751 1.00 0.00 C ATOM 579 CG ASP A 510 16.114 8.419 15.012 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.001 8.526 14.129 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.595 7.308 15.281 1.00 0.00 O ATOM 0 H ASP A 510 18.424 10.182 15.533 1.00 0.00 H new ATOM 0 HA ASP A 510 16.219 11.136 17.225 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.749 9.414 16.353 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.288 10.411 15.017 1.00 0.00 H new ATOM 586 N SER A 511 18.519 9.405 18.039 1.00 0.00 N ATOM 587 CA SER A 511 19.242 8.507 18.962 1.00 0.00 C ATOM 588 C SER A 511 18.681 8.471 20.398 1.00 0.00 C ATOM 589 O SER A 511 18.731 7.428 21.061 1.00 0.00 O ATOM 590 CB SER A 511 20.720 8.923 18.982 1.00 0.00 C ATOM 591 OG SER A 511 21.519 7.989 19.689 1.00 0.00 O ATOM 0 H SER A 511 19.130 10.112 17.629 1.00 0.00 H new ATOM 0 HA SER A 511 19.113 7.493 18.584 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.086 9.014 17.959 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.815 9.906 19.444 1.00 0.00 H new ATOM 0 HG SER A 511 22.453 8.285 19.680 1.00 0.00 H new ATOM 597 N ARG A 512 18.102 9.585 20.870 1.00 0.00 N ATOM 598 CA ARG A 512 17.447 9.749 22.185 1.00 0.00 C ATOM 599 C ARG A 512 16.129 10.524 22.052 1.00 0.00 C ATOM 600 O ARG A 512 15.799 10.984 20.959 1.00 0.00 O ATOM 601 CB ARG A 512 18.400 10.478 23.156 1.00 0.00 C ATOM 602 CG ARG A 512 19.761 9.789 23.345 1.00 0.00 C ATOM 603 CD ARG A 512 20.521 10.372 24.546 1.00 0.00 C ATOM 604 NE ARG A 512 19.962 9.891 25.828 1.00 0.00 N ATOM 605 CZ ARG A 512 20.205 10.374 27.034 1.00 0.00 C ATOM 606 NH1 ARG A 512 20.969 11.412 27.233 1.00 0.00 N ATOM 607 NH2 ARG A 512 19.677 9.808 28.084 1.00 0.00 N ATOM 0 H ARG A 512 18.074 10.443 20.319 1.00 0.00 H new ATOM 0 HA ARG A 512 17.217 8.760 22.581 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.567 11.491 22.790 1.00 0.00 H new ATOM 0 HB3 ARG A 512 17.913 10.566 24.127 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.612 8.719 23.491 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.359 9.907 22.441 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.573 10.096 24.481 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.475 11.461 24.513 1.00 0.00 H new ATOM 0 HE ARG A 512 19.319 9.101 25.776 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.405 11.884 26.441 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.130 11.752 28.181 1.00 0.00 H new ATOM 0 HH21 ARG A 512 19.076 8.991 27.975 1.00 0.00 H new ATOM 0 HH22 ARG A 512 19.866 10.182 29.014 1.00 0.00 H new ATOM 621 N LYS A 513 15.396 10.719 23.159 1.00 0.00 N ATOM 622 CA LYS A 513 14.148 11.517 23.200 1.00 0.00 C ATOM 623 C LYS A 513 14.290 12.940 22.635 1.00 0.00 C ATOM 624 O LYS A 513 13.339 13.466 22.061 1.00 0.00 O ATOM 625 CB LYS A 513 13.544 11.522 24.619 1.00 0.00 C ATOM 626 CG LYS A 513 14.396 12.245 25.684 1.00 0.00 C ATOM 627 CD LYS A 513 13.575 13.235 26.523 1.00 0.00 C ATOM 628 CE LYS A 513 12.730 12.514 27.581 1.00 0.00 C ATOM 629 NZ LYS A 513 11.916 13.472 28.379 1.00 0.00 N ATOM 0 H LYS A 513 15.651 10.325 24.065 1.00 0.00 H new ATOM 0 HA LYS A 513 13.452 11.017 22.527 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.562 11.993 24.579 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.390 10.491 24.936 1.00 0.00 H new ATOM 0 HG2 LYS A 513 14.851 11.506 26.343 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.210 12.778 25.193 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.245 13.942 27.012 1.00 0.00 H new ATOM 0 HD3 LYS A 513 12.923 13.814 25.869 1.00 0.00 H new ATOM 0 HE2 LYS A 513 12.072 11.795 27.093 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.383 11.949 28.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 11.358 12.950 29.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 12.546 14.143 28.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 11.275 13.993 27.747 1.00 0.00 H new ATOM 643 N TRP A 514 15.471 13.547 22.763 1.00 0.00 N ATOM 644 CA TRP A 514 15.832 14.831 22.159 1.00 0.00 C ATOM 645 C TRP A 514 16.195 14.634 20.681 1.00 0.00 C ATOM 646 O TRP A 514 17.360 14.412 20.335 1.00 0.00 O ATOM 647 CB TRP A 514 16.972 15.479 22.955 1.00 0.00 C ATOM 648 CG TRP A 514 16.624 15.855 24.364 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.876 15.117 25.469 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.952 17.061 24.837 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.382 15.768 26.586 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.787 16.966 26.253 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.473 18.234 24.215 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.149 17.965 27.003 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.851 19.254 24.960 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.677 19.116 26.349 1.00 0.00 C ATOM 0 H TRP A 514 16.231 13.143 23.311 1.00 0.00 H new ATOM 0 HA TRP A 514 14.979 15.509 22.196 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.817 14.791 22.976 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.302 16.373 22.427 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.385 14.165 25.478 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.450 15.406 27.537 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.586 18.351 23.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 15.022 17.851 28.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.505 20.148 24.462 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.182 19.893 26.912 1.00 0.00 H new ATOM 667 N TRP A 515 15.194 14.673 19.801 1.00 0.00 N ATOM 668 CA TRP A 515 15.407 14.647 18.352 1.00 0.00 C ATOM 669 C TRP A 515 16.071 15.950 17.890 1.00 0.00 C ATOM 670 O TRP A 515 15.680 17.048 18.302 1.00 0.00 O ATOM 671 CB TRP A 515 14.079 14.403 17.614 1.00 0.00 C ATOM 672 CG TRP A 515 13.564 12.989 17.625 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.855 12.048 18.551 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.690 12.322 16.659 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.240 10.856 18.236 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.510 10.964 17.072 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.036 12.719 15.469 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.743 10.047 16.340 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.263 11.804 14.727 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.122 10.471 15.154 1.00 0.00 C ATOM 0 H TRP A 515 14.212 14.724 20.072 1.00 0.00 H new ATOM 0 HA TRP A 515 16.077 13.822 18.109 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.319 15.048 18.054 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.201 14.715 16.577 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.481 12.208 19.416 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.315 10.004 18.792 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.131 13.738 15.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.631 9.029 16.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.774 12.129 13.821 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.537 9.775 14.571 1.00 0.00 H new ATOM 691 N LYS A 516 17.078 15.821 17.022 1.00 0.00 N ATOM 692 CA LYS A 516 17.739 16.947 16.353 1.00 0.00 C ATOM 693 C LYS A 516 17.001 17.252 15.051 1.00 0.00 C ATOM 694 O LYS A 516 16.745 16.338 14.263 1.00 0.00 O ATOM 695 CB LYS A 516 19.209 16.582 16.086 1.00 0.00 C ATOM 696 CG LYS A 516 20.059 17.813 15.735 1.00 0.00 C ATOM 697 CD LYS A 516 21.441 17.386 15.220 1.00 0.00 C ATOM 698 CE LYS A 516 22.250 18.572 14.678 1.00 0.00 C ATOM 699 NZ LYS A 516 22.844 19.414 15.754 1.00 0.00 N ATOM 0 H LYS A 516 17.465 14.914 16.759 1.00 0.00 H new ATOM 0 HA LYS A 516 17.715 17.836 16.983 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.626 16.094 16.967 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.260 15.862 15.269 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.550 18.409 14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 516 20.172 18.446 16.615 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.996 16.909 16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.319 16.642 14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 516 23.047 18.197 14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.604 19.191 14.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.231 20.285 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.110 19.658 16.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.606 18.887 16.226 1.00 0.00 H new ATOM 713 N VAL A 517 16.695 18.522 14.800 1.00 0.00 N ATOM 714 CA VAL A 517 16.015 18.973 13.572 1.00 0.00 C ATOM 715 C VAL A 517 16.645 20.254 13.014 1.00 0.00 C ATOM 716 O VAL A 517 17.279 21.019 13.751 1.00 0.00 O ATOM 717 CB VAL A 517 14.493 19.159 13.781 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.791 17.888 14.275 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.140 20.289 14.753 1.00 0.00 C ATOM 0 H VAL A 517 16.911 19.281 15.446 1.00 0.00 H new ATOM 0 HA VAL A 517 16.151 18.181 12.836 1.00 0.00 H new ATOM 0 HB VAL A 517 14.135 19.415 12.784 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.727 18.086 14.401 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.928 17.090 13.545 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.219 17.584 15.230 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.057 20.360 14.850 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.579 20.080 15.729 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.533 21.232 14.373 1.00 0.00 H new ATOM 729 N ARG A 518 16.445 20.500 11.714 1.00 0.00 N ATOM 730 CA ARG A 518 16.852 21.727 11.014 1.00 0.00 C ATOM 731 C ARG A 518 15.623 22.605 10.763 1.00 0.00 C ATOM 732 O ARG A 518 14.658 22.179 10.121 1.00 0.00 O ATOM 733 CB ARG A 518 17.541 21.363 9.686 1.00 0.00 C ATOM 734 CG ARG A 518 18.426 22.509 9.170 1.00 0.00 C ATOM 735 CD ARG A 518 19.025 22.204 7.792 1.00 0.00 C ATOM 736 NE ARG A 518 19.939 21.042 7.828 1.00 0.00 N ATOM 737 CZ ARG A 518 20.266 20.263 6.811 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.839 20.480 5.598 1.00 0.00 N ATOM 739 NH2 ARG A 518 21.054 19.240 6.994 1.00 0.00 N ATOM 0 H ARG A 518 15.981 19.831 11.100 1.00 0.00 H new ATOM 0 HA ARG A 518 17.559 22.284 11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.148 20.469 9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.785 21.122 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.836 23.424 9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.231 22.692 9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 518 18.221 22.010 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 518 19.565 23.079 7.430 1.00 0.00 H new ATOM 0 HE ARG A 518 20.360 20.819 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 518 19.229 21.275 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 518 20.115 19.855 4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 518 21.420 19.038 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.304 18.641 6.207 1.00 0.00 H new ATOM 753 N ASP A 519 15.658 23.820 11.289 1.00 0.00 N ATOM 754 CA ASP A 519 14.677 24.883 11.033 1.00 0.00 C ATOM 755 C ASP A 519 14.874 25.573 9.659 1.00 0.00 C ATOM 756 O ASP A 519 15.969 25.517 9.084 1.00 0.00 O ATOM 757 CB ASP A 519 14.771 25.911 12.168 1.00 0.00 C ATOM 758 CG ASP A 519 16.205 26.421 12.340 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.610 27.348 11.599 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.916 25.864 13.203 1.00 0.00 O ATOM 0 H ASP A 519 16.395 24.111 11.931 1.00 0.00 H new ATOM 0 HA ASP A 519 13.686 24.430 11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.107 26.750 11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.429 25.460 13.099 1.00 0.00 H new ATOM 765 N PRO A 520 13.843 26.263 9.125 1.00 0.00 N ATOM 766 CA PRO A 520 13.923 26.960 7.835 1.00 0.00 C ATOM 767 C PRO A 520 14.797 28.230 7.829 1.00 0.00 C ATOM 768 O PRO A 520 15.113 28.740 6.749 1.00 0.00 O ATOM 769 CB PRO A 520 12.470 27.274 7.461 1.00 0.00 C ATOM 770 CG PRO A 520 11.758 27.370 8.808 1.00 0.00 C ATOM 771 CD PRO A 520 12.476 26.308 9.634 1.00 0.00 C ATOM 0 HA PRO A 520 14.425 26.321 7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.394 28.206 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 520 12.040 26.491 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.855 28.362 9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.691 27.163 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.462 26.562 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.989 25.338 9.532 1.00 0.00 H new ATOM 779 N ALA A 521 15.216 28.745 8.993 1.00 0.00 N ATOM 780 CA ALA A 521 16.198 29.836 9.094 1.00 0.00 C ATOM 781 C ALA A 521 17.643 29.372 8.802 1.00 0.00 C ATOM 782 O ALA A 521 18.507 30.204 8.507 1.00 0.00 O ATOM 783 CB ALA A 521 16.093 30.499 10.478 1.00 0.00 C ATOM 0 H ALA A 521 14.881 28.415 9.898 1.00 0.00 H new ATOM 0 HA ALA A 521 15.959 30.569 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.821 31.307 10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.089 30.902 10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.294 29.759 11.252 1.00 0.00 H new ATOM 789 N GLY A 522 17.911 28.061 8.857 1.00 0.00 N ATOM 790 CA GLY A 522 19.209 27.459 8.541 1.00 0.00 C ATOM 791 C GLY A 522 20.063 27.133 9.773 1.00 0.00 C ATOM 792 O GLY A 522 21.255 26.846 9.631 1.00 0.00 O ATOM 0 H GLY A 522 17.210 27.372 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.044 26.543 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.765 28.139 7.896 1.00 0.00 H new ATOM 796 N GLN A 523 19.477 27.194 10.972 1.00 0.00 N ATOM 797 CA GLN A 523 20.116 26.806 12.233 1.00 0.00 C ATOM 798 C GLN A 523 19.803 25.324 12.559 1.00 0.00 C ATOM 799 O GLN A 523 19.247 24.588 11.733 1.00 0.00 O ATOM 800 CB GLN A 523 19.695 27.772 13.366 1.00 0.00 C ATOM 801 CG GLN A 523 19.670 29.264 12.969 1.00 0.00 C ATOM 802 CD GLN A 523 19.492 30.220 14.155 1.00 0.00 C ATOM 803 OE1 GLN A 523 19.580 29.868 15.326 1.00 0.00 O ATOM 804 NE2 GLN A 523 19.239 31.487 13.895 1.00 0.00 N ATOM 0 H GLN A 523 18.520 27.523 11.096 1.00 0.00 H new ATOM 0 HA GLN A 523 21.199 26.886 12.135 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.703 27.487 13.717 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.379 27.645 14.205 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.599 29.508 12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.860 29.427 12.259 1.00 0.00 H new ATOM 0 HE21 GLN A 523 19.161 31.804 12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 523 19.121 32.151 14.660 1.00 0.00 H new ATOM 813 N GLU A 524 20.185 24.858 13.753 1.00 0.00 N ATOM 814 CA GLU A 524 19.862 23.520 14.276 1.00 0.00 C ATOM 815 C GLU A 524 19.617 23.577 15.796 1.00 0.00 C ATOM 816 O GLU A 524 20.146 24.450 16.494 1.00 0.00 O ATOM 817 CB GLU A 524 21.020 22.541 13.999 1.00 0.00 C ATOM 818 CG GLU A 524 21.277 22.224 12.515 1.00 0.00 C ATOM 819 CD GLU A 524 22.498 21.304 12.287 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.356 21.153 13.193 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.623 20.742 11.172 1.00 0.00 O ATOM 0 H GLU A 524 20.742 25.414 14.402 1.00 0.00 H new ATOM 0 HA GLU A 524 18.959 23.174 13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.933 22.954 14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.816 21.607 14.522 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.391 21.750 12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.428 23.157 11.973 1.00 0.00 H new ATOM 828 N GLY A 525 18.860 22.614 16.333 1.00 0.00 N ATOM 829 CA GLY A 525 18.637 22.460 17.771 1.00 0.00 C ATOM 830 C GLY A 525 17.987 21.130 18.157 1.00 0.00 C ATOM 831 O GLY A 525 17.679 20.293 17.302 1.00 0.00 O ATOM 0 H GLY A 525 18.379 21.911 15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.592 22.551 18.289 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.006 23.277 18.121 1.00 0.00 H new ATOM 835 N TYR A 526 17.772 20.960 19.462 1.00 0.00 N ATOM 836 CA TYR A 526 17.244 19.748 20.094 1.00 0.00 C ATOM 837 C TYR A 526 15.913 20.033 20.814 1.00 0.00 C ATOM 838 O TYR A 526 15.779 21.043 21.509 1.00 0.00 O ATOM 839 CB TYR A 526 18.287 19.223 21.091 1.00 0.00 C ATOM 840 CG TYR A 526 19.511 18.575 20.464 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.425 17.246 20.009 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.737 19.266 20.367 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.559 16.600 19.482 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.872 18.629 19.828 1.00 0.00 C ATOM 845 CZ TYR A 526 21.786 17.290 19.388 1.00 0.00 C ATOM 846 OH TYR A 526 22.881 16.660 18.882 1.00 0.00 O ATOM 0 H TYR A 526 17.970 21.697 20.139 1.00 0.00 H new ATOM 0 HA TYR A 526 17.048 18.998 19.327 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.615 20.051 21.719 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.807 18.497 21.747 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.484 16.719 20.065 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.806 20.289 20.708 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.490 15.575 19.149 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.807 19.164 19.751 1.00 0.00 H new ATOM 0 HH TYR A 526 23.643 17.276 18.886 1.00 0.00 H new ATOM 856 N VAL A 527 14.945 19.120 20.663 1.00 0.00 N ATOM 857 CA VAL A 527 13.577 19.194 21.225 1.00 0.00 C ATOM 858 C VAL A 527 13.002 17.783 21.470 1.00 0.00 C ATOM 859 O VAL A 527 13.402 16.842 20.777 1.00 0.00 O ATOM 860 CB VAL A 527 12.610 19.960 20.290 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.739 21.477 20.437 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.794 19.608 18.811 1.00 0.00 C ATOM 0 H VAL A 527 15.094 18.268 20.122 1.00 0.00 H new ATOM 0 HA VAL A 527 13.661 19.732 22.169 1.00 0.00 H new ATOM 0 HB VAL A 527 11.618 19.640 20.608 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.040 21.969 19.760 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.512 21.764 21.464 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.757 21.781 20.192 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.086 20.179 18.210 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.811 19.851 18.503 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.616 18.542 18.666 1.00 0.00 H new ATOM 872 N PRO A 528 12.073 17.591 22.429 1.00 0.00 N ATOM 873 CA PRO A 528 11.517 16.271 22.729 1.00 0.00 C ATOM 874 C PRO A 528 10.617 15.740 21.600 1.00 0.00 C ATOM 875 O PRO A 528 9.726 16.436 21.114 1.00 0.00 O ATOM 876 CB PRO A 528 10.753 16.433 24.050 1.00 0.00 C ATOM 877 CG PRO A 528 10.414 17.921 24.118 1.00 0.00 C ATOM 878 CD PRO A 528 11.546 18.596 23.345 1.00 0.00 C ATOM 0 HA PRO A 528 12.308 15.526 22.817 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.852 15.820 24.065 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.362 16.126 24.900 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.444 18.130 23.668 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.369 18.273 25.149 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.180 19.465 22.799 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.323 18.950 24.023 1.00 0.00 H new ATOM 886 N TYR A 529 10.784 14.474 21.215 1.00 0.00 N ATOM 887 CA TYR A 529 9.939 13.811 20.208 1.00 0.00 C ATOM 888 C TYR A 529 8.446 13.731 20.588 1.00 0.00 C ATOM 889 O TYR A 529 7.593 13.619 19.707 1.00 0.00 O ATOM 890 CB TYR A 529 10.489 12.414 19.896 1.00 0.00 C ATOM 891 CG TYR A 529 10.045 11.325 20.857 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.564 11.285 22.165 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.082 10.381 20.455 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.142 10.289 23.067 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.650 9.387 21.355 1.00 0.00 C ATOM 896 CZ TYR A 529 9.185 9.335 22.661 1.00 0.00 C ATOM 897 OH TYR A 529 8.770 8.367 23.523 1.00 0.00 O ATOM 0 H TYR A 529 11.514 13.871 21.594 1.00 0.00 H new ATOM 0 HA TYR A 529 9.982 14.439 19.318 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.183 12.136 18.887 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.578 12.459 19.898 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.289 12.021 22.478 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.674 10.419 19.456 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.550 10.256 24.067 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.909 8.664 21.046 1.00 0.00 H new ATOM 0 HH TYR A 529 8.108 7.796 23.080 1.00 0.00 H new ATOM 907 N ASN A 530 8.112 13.839 21.883 1.00 0.00 N ATOM 908 CA ASN A 530 6.736 13.873 22.394 1.00 0.00 C ATOM 909 C ASN A 530 5.867 14.985 21.756 1.00 0.00 C ATOM 910 O ASN A 530 4.654 14.810 21.622 1.00 0.00 O ATOM 911 CB ASN A 530 6.803 14.007 23.927 1.00 0.00 C ATOM 912 CG ASN A 530 5.427 14.068 24.576 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.946 15.123 24.966 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.752 12.949 24.718 1.00 0.00 N ATOM 0 H ASN A 530 8.811 13.907 22.622 1.00 0.00 H new ATOM 0 HA ASN A 530 6.238 12.945 22.115 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.356 13.162 24.337 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.361 14.907 24.184 1.00 0.00 H new ATOM 0 HD21 ASN A 530 3.829 12.962 25.153 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.151 12.068 24.394 1.00 0.00 H new ATOM 921 N ILE A 531 6.483 16.093 21.312 1.00 0.00 N ATOM 922 CA ILE A 531 5.805 17.196 20.603 1.00 0.00 C ATOM 923 C ILE A 531 6.019 17.172 19.077 1.00 0.00 C ATOM 924 O ILE A 531 5.407 17.970 18.371 1.00 0.00 O ATOM 925 CB ILE A 531 6.197 18.575 21.187 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.696 18.887 20.982 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.813 18.659 22.676 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.074 20.347 21.225 1.00 0.00 C ATOM 0 H ILE A 531 7.483 16.252 21.437 1.00 0.00 H new ATOM 0 HA ILE A 531 4.740 17.036 20.769 1.00 0.00 H new ATOM 0 HB ILE A 531 5.637 19.334 20.640 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.281 18.256 21.651 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.975 18.616 19.964 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.096 19.635 23.070 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.737 18.523 22.782 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.334 17.879 23.231 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.143 20.478 21.059 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.519 20.986 20.538 1.00 0.00 H new ATOM 0 HD13 ILE A 531 7.830 20.620 22.252 1.00 0.00 H new ATOM 940 N LEU A 532 6.850 16.268 18.545 1.00 0.00 N ATOM 941 CA LEU A 532 7.162 16.160 17.114 1.00 0.00 C ATOM 942 C LEU A 532 6.482 14.929 16.501 1.00 0.00 C ATOM 943 O LEU A 532 7.016 13.815 16.493 1.00 0.00 O ATOM 944 CB LEU A 532 8.672 16.084 16.875 1.00 0.00 C ATOM 945 CG LEU A 532 9.526 17.263 17.363 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.965 16.971 16.942 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.083 18.604 16.775 1.00 0.00 C ATOM 0 H LEU A 532 7.337 15.573 19.112 1.00 0.00 H new ATOM 0 HA LEU A 532 6.780 17.059 16.630 1.00 0.00 H new ATOM 0 HB2 LEU A 532 9.043 15.178 17.354 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.838 15.969 15.804 1.00 0.00 H new ATOM 0 HG LEU A 532 9.420 17.354 18.444 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.612 17.785 17.269 1.00 0.00 H new ATOM 0 HD12 LEU A 532 11.296 16.039 17.400 1.00 0.00 H new ATOM 0 HD13 LEU A 532 11.015 16.880 15.857 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.724 19.398 17.157 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.159 18.568 15.688 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.050 18.803 17.060 1.00 0.00 H new ATOM 959 N THR A 533 5.279 15.142 15.984 1.00 0.00 N ATOM 960 CA THR A 533 4.533 14.113 15.241 1.00 0.00 C ATOM 961 C THR A 533 5.082 13.898 13.824 1.00 0.00 C ATOM 962 O THR A 533 5.632 14.829 13.228 1.00 0.00 O ATOM 963 CB THR A 533 3.023 14.423 15.180 1.00 0.00 C ATOM 964 OG1 THR A 533 2.719 15.800 15.079 1.00 0.00 O ATOM 965 CG2 THR A 533 2.344 13.924 16.456 1.00 0.00 C ATOM 0 H THR A 533 4.785 16.031 16.063 1.00 0.00 H new ATOM 0 HA THR A 533 4.672 13.187 15.799 1.00 0.00 H new ATOM 0 HB THR A 533 2.665 13.922 14.281 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.442 16.261 14.605 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.277 14.144 16.411 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.489 12.848 16.548 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.781 14.424 17.320 1.00 0.00 H new ATOM 973 N PRO A 534 4.914 12.693 13.240 1.00 0.00 N ATOM 974 CA PRO A 534 5.263 12.437 11.842 1.00 0.00 C ATOM 975 C PRO A 534 4.431 13.299 10.878 1.00 0.00 C ATOM 976 O PRO A 534 3.446 13.935 11.268 1.00 0.00 O ATOM 977 CB PRO A 534 5.032 10.932 11.637 1.00 0.00 C ATOM 978 CG PRO A 534 3.962 10.588 12.668 1.00 0.00 C ATOM 979 CD PRO A 534 4.306 11.508 13.836 1.00 0.00 C ATOM 0 HA PRO A 534 6.296 12.708 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.697 10.713 10.623 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.945 10.360 11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.958 10.777 12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 534 4.001 9.537 12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.413 11.770 14.404 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.993 11.022 14.528 1.00 0.00 H new ATOM 987 N TYR A 535 4.800 13.273 9.595 1.00 0.00 N ATOM 988 CA TYR A 535 4.087 13.961 8.513 1.00 0.00 C ATOM 989 C TYR A 535 3.559 12.924 7.494 1.00 0.00 C ATOM 990 O TYR A 535 4.150 12.743 6.424 1.00 0.00 O ATOM 991 CB TYR A 535 4.981 15.077 7.935 1.00 0.00 C ATOM 992 CG TYR A 535 4.247 16.216 7.234 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.246 15.974 6.265 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.566 17.547 7.572 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.546 17.045 5.678 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.873 18.623 6.982 1.00 0.00 C ATOM 997 CZ TYR A 535 2.852 18.373 6.041 1.00 0.00 C ATOM 998 OH TYR A 535 2.163 19.404 5.481 1.00 0.00 O ATOM 0 H TYR A 535 5.621 12.762 9.271 1.00 0.00 H new ATOM 0 HA TYR A 535 3.196 14.472 8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.576 15.497 8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.678 14.629 7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 535 3.017 14.960 5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.349 17.744 8.290 1.00 0.00 H new ATOM 0 HE1 TYR A 535 1.774 16.849 4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.123 19.639 7.250 1.00 0.00 H new ATOM 0 HH TYR A 535 2.496 20.253 5.839 1.00 0.00 H new