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 486 ASN : amide:sc= 0.664 K(o=1.7,f=0.99) USER MOD Set 1.2: A 533 THR OG1 : rot 8:sc= 1.03 USER MOD Single : A 485 CYS SG : rot -98:sc= 0.0267 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= 0.0501 USER MOD Single : A 498 SER OG : rot 29:sc= 0.0469 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=-0.39) 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+ 163:sc= 0.264 (180deg=0.149) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.17) 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 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.578 14.498 7.300 1.00 0.00 N ATOM 118 CA TRP A 482 10.174 15.661 8.101 1.00 0.00 C ATOM 119 C TRP A 482 9.231 15.258 9.242 1.00 0.00 C ATOM 120 O TRP A 482 8.614 14.187 9.224 1.00 0.00 O ATOM 121 CB TRP A 482 9.480 16.703 7.204 1.00 0.00 C ATOM 122 CG TRP A 482 10.327 17.379 6.168 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.707 16.825 4.996 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.871 18.741 6.153 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.470 17.723 4.279 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.600 18.921 4.940 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.809 19.854 7.020 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.244 20.121 4.610 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.450 21.069 6.704 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.169 21.204 5.501 1.00 0.00 C ATOM 0 HA TRP A 482 11.075 16.092 8.539 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.649 16.213 6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.052 17.472 7.847 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.452 15.828 4.669 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.887 17.523 3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.258 19.772 7.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.791 20.212 3.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.389 21.902 7.389 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.661 22.136 5.264 1.00 0.00 H new ATOM 141 N VAL A 483 9.086 16.159 10.211 1.00 0.00 N ATOM 142 CA VAL A 483 8.187 16.041 11.363 1.00 0.00 C ATOM 143 C VAL A 483 7.365 17.317 11.516 1.00 0.00 C ATOM 144 O VAL A 483 7.905 18.425 11.573 1.00 0.00 O ATOM 145 CB VAL A 483 8.948 15.720 12.670 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.327 14.240 12.725 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.230 16.538 12.891 1.00 0.00 C ATOM 0 H VAL A 483 9.614 17.031 10.217 1.00 0.00 H new ATOM 0 HA VAL A 483 7.517 15.202 11.174 1.00 0.00 H new ATOM 0 HB VAL A 483 8.248 15.991 13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.862 14.036 13.653 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.424 13.631 12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.966 13.996 11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.693 16.242 13.833 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.925 16.354 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.983 17.599 12.926 1.00 0.00 H new ATOM 157 N LEU A 484 6.042 17.166 11.564 1.00 0.00 N ATOM 158 CA LEU A 484 5.119 18.252 11.875 1.00 0.00 C ATOM 159 C LEU A 484 5.023 18.386 13.400 1.00 0.00 C ATOM 160 O LEU A 484 4.904 17.384 14.109 1.00 0.00 O ATOM 161 CB LEU A 484 3.743 17.948 11.249 1.00 0.00 C ATOM 162 CG LEU A 484 2.824 19.183 11.161 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.346 20.233 10.173 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.426 18.764 10.706 1.00 0.00 C ATOM 0 H LEU A 484 5.578 16.275 11.386 1.00 0.00 H new ATOM 0 HA LEU A 484 5.475 19.195 11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.889 17.541 10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.247 17.176 11.838 1.00 0.00 H new ATOM 0 HG LEU A 484 2.799 19.623 12.158 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.662 21.082 10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.333 20.571 10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.414 19.794 9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.784 19.643 10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.489 18.294 9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 484 1.007 18.056 11.422 1.00 0.00 H new ATOM 176 N CYS A 485 5.070 19.606 13.925 1.00 0.00 N ATOM 177 CA CYS A 485 4.817 19.822 15.348 1.00 0.00 C ATOM 178 C CYS A 485 3.333 19.574 15.707 1.00 0.00 C ATOM 179 O CYS A 485 2.459 19.524 14.837 1.00 0.00 O ATOM 180 CB CYS A 485 5.269 21.239 15.701 1.00 0.00 C ATOM 181 SG CYS A 485 5.722 21.305 17.453 1.00 0.00 S ATOM 0 H CYS A 485 5.278 20.452 13.395 1.00 0.00 H new ATOM 0 HA CYS A 485 5.386 19.105 15.940 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.120 21.526 15.083 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.470 21.950 15.493 1.00 0.00 H new ATOM 0 HG CYS A 485 4.731 21.791 18.139 1.00 0.00 H new ATOM 187 N ASN A 486 3.029 19.447 16.999 1.00 0.00 N ATOM 188 CA ASN A 486 1.662 19.340 17.531 1.00 0.00 C ATOM 189 C ASN A 486 1.418 20.216 18.780 1.00 0.00 C ATOM 190 O ASN A 486 0.260 20.480 19.109 1.00 0.00 O ATOM 191 CB ASN A 486 1.334 17.849 17.781 1.00 0.00 C ATOM 192 CG ASN A 486 0.312 17.281 16.806 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.663 16.650 17.195 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.480 17.482 15.519 1.00 0.00 N ATOM 0 H ASN A 486 3.743 19.414 17.727 1.00 0.00 H new ATOM 0 HA ASN A 486 0.975 19.738 16.784 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.253 17.266 17.712 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.958 17.733 18.798 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.199 17.114 14.852 1.00 0.00 H new ATOM 0 HD22 ASN A 486 1.289 18.006 15.186 1.00 0.00 H new ATOM 201 N TYR A 487 2.480 20.724 19.422 1.00 0.00 N ATOM 202 CA TYR A 487 2.427 21.627 20.580 1.00 0.00 C ATOM 203 C TYR A 487 3.642 22.573 20.565 1.00 0.00 C ATOM 204 O TYR A 487 4.776 22.120 20.401 1.00 0.00 O ATOM 205 CB TYR A 487 2.441 20.806 21.885 1.00 0.00 C ATOM 206 CG TYR A 487 1.354 19.748 22.004 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.071 20.092 22.476 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.620 18.420 21.609 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.943 19.116 22.545 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.611 17.442 21.679 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.675 17.788 22.144 1.00 0.00 C ATOM 212 OH TYR A 487 -1.653 16.844 22.197 1.00 0.00 O ATOM 0 H TYR A 487 3.436 20.509 19.138 1.00 0.00 H new ATOM 0 HA TYR A 487 1.509 22.213 20.527 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.411 20.317 21.976 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.350 21.492 22.727 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -0.135 21.106 22.785 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.603 18.153 21.251 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.926 19.383 22.905 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.821 16.427 21.377 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.297 15.986 21.884 1.00 0.00 H new ATOM 222 N ASP A 488 3.437 23.883 20.733 1.00 0.00 N ATOM 223 CA ASP A 488 4.543 24.853 20.812 1.00 0.00 C ATOM 224 C ASP A 488 5.465 24.624 22.032 1.00 0.00 C ATOM 225 O ASP A 488 5.037 24.106 23.070 1.00 0.00 O ATOM 226 CB ASP A 488 3.998 26.289 20.791 1.00 0.00 C ATOM 227 CG ASP A 488 3.310 26.690 22.106 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.112 26.368 22.291 1.00 0.00 O ATOM 229 OD2 ASP A 488 3.957 27.362 22.948 1.00 0.00 O ATOM 0 H ASP A 488 2.511 24.302 20.818 1.00 0.00 H new ATOM 0 HA ASP A 488 5.165 24.696 19.931 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.817 26.980 20.591 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.288 26.390 19.970 1.00 0.00 H new ATOM 234 N PHE A 489 6.735 25.033 21.913 1.00 0.00 N ATOM 235 CA PHE A 489 7.765 24.852 22.943 1.00 0.00 C ATOM 236 C PHE A 489 8.859 25.919 22.816 1.00 0.00 C ATOM 237 O PHE A 489 9.547 25.992 21.796 1.00 0.00 O ATOM 238 CB PHE A 489 8.367 23.448 22.799 1.00 0.00 C ATOM 239 CG PHE A 489 9.508 23.105 23.742 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.236 22.739 25.075 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.838 23.092 23.276 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.287 22.371 25.936 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.883 22.695 24.129 1.00 0.00 C ATOM 244 CZ PHE A 489 11.610 22.349 25.462 1.00 0.00 C ATOM 0 H PHE A 489 7.082 25.509 21.080 1.00 0.00 H new ATOM 0 HA PHE A 489 7.312 24.960 23.928 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.571 22.718 22.945 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.722 23.331 21.775 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.219 22.741 25.437 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.055 23.388 22.260 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.077 22.105 26.961 1.00 0.00 H new ATOM 0 HE2 PHE A 489 12.897 22.656 23.758 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.416 22.066 26.123 1.00 0.00 H new ATOM 254 N GLN A 490 9.017 26.742 23.855 1.00 0.00 N ATOM 255 CA GLN A 490 10.083 27.742 23.954 1.00 0.00 C ATOM 256 C GLN A 490 11.429 27.076 24.303 1.00 0.00 C ATOM 257 O GLN A 490 11.537 26.344 25.291 1.00 0.00 O ATOM 258 CB GLN A 490 9.679 28.782 25.013 1.00 0.00 C ATOM 259 CG GLN A 490 10.661 29.963 25.095 1.00 0.00 C ATOM 260 CD GLN A 490 10.236 30.968 26.166 1.00 0.00 C ATOM 261 OE1 GLN A 490 10.452 30.779 27.358 1.00 0.00 O ATOM 262 NE2 GLN A 490 9.617 32.072 25.798 1.00 0.00 N ATOM 0 H GLN A 490 8.397 26.732 24.665 1.00 0.00 H new ATOM 0 HA GLN A 490 10.216 28.239 22.993 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.683 29.159 24.783 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.619 28.297 25.987 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.661 29.592 25.319 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.715 30.461 24.127 1.00 0.00 H new ATOM 0 HE21 GLN A 490 9.429 32.246 24.811 1.00 0.00 H new ATOM 0 HE22 GLN A 490 9.326 32.752 26.500 1.00 0.00 H new ATOM 271 N ALA A 491 12.462 27.367 23.507 1.00 0.00 N ATOM 272 CA ALA A 491 13.825 26.857 23.675 1.00 0.00 C ATOM 273 C ALA A 491 14.855 27.829 23.060 1.00 0.00 C ATOM 274 O ALA A 491 14.774 28.152 21.873 1.00 0.00 O ATOM 275 CB ALA A 491 13.913 25.468 23.031 1.00 0.00 C ATOM 0 H ALA A 491 12.369 27.985 22.701 1.00 0.00 H new ATOM 0 HA ALA A 491 14.059 26.775 24.736 1.00 0.00 H new ATOM 0 HB1 ALA A 491 14.923 25.076 23.149 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.204 24.797 23.516 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.674 25.543 21.970 1.00 0.00 H new ATOM 330 N SER A 495 22.213 24.614 23.038 1.00 0.00 N ATOM 331 CA SER A 495 21.955 23.618 21.976 1.00 0.00 C ATOM 332 C SER A 495 20.455 23.336 21.742 1.00 0.00 C ATOM 333 O SER A 495 20.097 22.270 21.241 1.00 0.00 O ATOM 334 CB SER A 495 22.714 22.313 22.282 1.00 0.00 C ATOM 335 OG SER A 495 24.114 22.527 22.403 1.00 0.00 O ATOM 0 HA SER A 495 22.325 24.051 21.046 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.332 21.880 23.207 1.00 0.00 H new ATOM 0 HB3 SER A 495 22.525 21.589 21.489 1.00 0.00 H new ATOM 0 HG SER A 495 24.281 23.451 22.684 1.00 0.00 H new ATOM 341 N GLU A 496 19.552 24.261 22.089 1.00 0.00 N ATOM 342 CA GLU A 496 18.090 24.096 21.938 1.00 0.00 C ATOM 343 C GLU A 496 17.479 25.217 21.072 1.00 0.00 C ATOM 344 O GLU A 496 18.022 26.324 21.000 1.00 0.00 O ATOM 345 CB GLU A 496 17.410 24.072 23.318 1.00 0.00 C ATOM 346 CG GLU A 496 17.797 22.876 24.190 1.00 0.00 C ATOM 347 CD GLU A 496 17.227 22.975 25.620 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.047 23.364 25.802 1.00 0.00 O ATOM 349 OE2 GLU A 496 17.968 22.662 26.585 1.00 0.00 O ATOM 0 H GLU A 496 19.815 25.162 22.490 1.00 0.00 H new ATOM 0 HA GLU A 496 17.916 23.146 21.433 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.660 24.990 23.849 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.329 24.070 23.177 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.438 21.959 23.723 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.883 22.804 24.240 1.00 0.00 H new ATOM 356 N LEU A 497 16.336 24.940 20.427 1.00 0.00 N ATOM 357 CA LEU A 497 15.650 25.879 19.529 1.00 0.00 C ATOM 358 C LEU A 497 14.112 25.747 19.592 1.00 0.00 C ATOM 359 O LEU A 497 13.569 24.641 19.599 1.00 0.00 O ATOM 360 CB LEU A 497 16.172 25.627 18.105 1.00 0.00 C ATOM 361 CG LEU A 497 15.696 26.688 17.094 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.865 27.527 16.575 1.00 0.00 C ATOM 363 CD2 LEU A 497 14.958 26.025 15.935 1.00 0.00 C ATOM 0 H LEU A 497 15.856 24.044 20.516 1.00 0.00 H new ATOM 0 HA LEU A 497 15.867 26.900 19.844 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.262 25.611 18.121 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.843 24.642 17.772 1.00 0.00 H new ATOM 0 HG LEU A 497 15.009 27.358 17.610 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.495 28.266 15.864 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.346 28.036 17.410 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.588 26.878 16.081 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.628 26.788 15.230 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.626 25.328 15.429 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.092 25.485 16.317 1.00 0.00 H new ATOM 375 N SER A 498 13.422 26.891 19.625 1.00 0.00 N ATOM 376 CA SER A 498 11.957 27.016 19.693 1.00 0.00 C ATOM 377 C SER A 498 11.230 26.395 18.487 1.00 0.00 C ATOM 378 O SER A 498 11.752 26.402 17.367 1.00 0.00 O ATOM 379 CB SER A 498 11.605 28.506 19.793 1.00 0.00 C ATOM 380 OG SER A 498 10.237 28.689 20.113 1.00 0.00 O ATOM 0 H SER A 498 13.888 27.798 19.604 1.00 0.00 H new ATOM 0 HA SER A 498 11.620 26.463 20.570 1.00 0.00 H new ATOM 0 HB2 SER A 498 12.226 28.979 20.554 1.00 0.00 H new ATOM 0 HB3 SER A 498 11.829 29.000 18.847 1.00 0.00 H new ATOM 0 HG SER A 498 9.920 27.928 20.643 1.00 0.00 H new ATOM 386 N VAL A 499 9.997 25.918 18.695 1.00 0.00 N ATOM 387 CA VAL A 499 9.104 25.361 17.655 1.00 0.00 C ATOM 388 C VAL A 499 7.639 25.754 17.897 1.00 0.00 C ATOM 389 O VAL A 499 7.248 26.091 19.021 1.00 0.00 O ATOM 390 CB VAL A 499 9.221 23.820 17.532 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.620 23.364 17.101 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.846 23.069 18.818 1.00 0.00 C ATOM 0 H VAL A 499 9.573 25.906 19.622 1.00 0.00 H new ATOM 0 HA VAL A 499 9.435 25.797 16.713 1.00 0.00 H new ATOM 0 HB VAL A 499 8.498 23.567 16.757 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.643 22.276 17.031 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.860 23.795 16.129 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.353 23.696 17.836 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.952 21.996 18.657 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.506 23.381 19.627 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.814 23.296 19.084 1.00 0.00 H new ATOM 402 N LYS A 500 6.815 25.676 16.842 1.00 0.00 N ATOM 403 CA LYS A 500 5.393 26.082 16.825 1.00 0.00 C ATOM 404 C LYS A 500 4.519 24.991 16.205 1.00 0.00 C ATOM 405 O LYS A 500 4.973 24.273 15.319 1.00 0.00 O ATOM 406 CB LYS A 500 5.227 27.390 16.025 1.00 0.00 C ATOM 407 CG LYS A 500 6.101 28.539 16.548 1.00 0.00 C ATOM 408 CD LYS A 500 5.720 29.858 15.866 1.00 0.00 C ATOM 409 CE LYS A 500 6.665 30.973 16.325 1.00 0.00 C ATOM 410 NZ LYS A 500 6.242 32.297 15.796 1.00 0.00 N ATOM 0 H LYS A 500 7.128 25.315 15.941 1.00 0.00 H new ATOM 0 HA LYS A 500 5.074 26.240 17.855 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.474 27.202 14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.181 27.696 16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 500 5.981 28.633 17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 500 7.152 28.317 16.363 1.00 0.00 H new ATOM 0 HD2 LYS A 500 5.774 29.747 14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.690 30.119 16.109 1.00 0.00 H new ATOM 0 HE2 LYS A 500 6.689 31.006 17.414 1.00 0.00 H new ATOM 0 HE3 LYS A 500 7.679 30.753 15.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 6.903 33.030 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 6.243 32.272 14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 5.284 32.517 16.136 1.00 0.00 H new ATOM 424 N GLN A 501 3.251 24.904 16.616 1.00 0.00 N ATOM 425 CA GLN A 501 2.288 23.869 16.189 1.00 0.00 C ATOM 426 C GLN A 501 2.065 23.804 14.663 1.00 0.00 C ATOM 427 O GLN A 501 1.734 22.745 14.127 1.00 0.00 O ATOM 428 CB GLN A 501 0.969 24.110 16.949 1.00 0.00 C ATOM 429 CG GLN A 501 -0.105 23.039 16.685 1.00 0.00 C ATOM 430 CD GLN A 501 -1.389 23.238 17.495 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.443 23.924 18.511 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.492 22.661 17.062 1.00 0.00 N ATOM 0 H GLN A 501 2.848 25.569 17.275 1.00 0.00 H new ATOM 0 HA GLN A 501 2.705 22.893 16.436 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.178 24.146 18.018 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.572 25.086 16.669 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.352 23.040 15.623 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.310 22.058 16.915 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.470 22.086 16.220 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.368 22.789 17.569 1.00 0.00 H new ATOM 441 N ARG A 502 2.293 24.922 13.961 1.00 0.00 N ATOM 442 CA ARG A 502 2.079 25.091 12.511 1.00 0.00 C ATOM 443 C ARG A 502 3.381 25.201 11.703 1.00 0.00 C ATOM 444 O ARG A 502 3.380 25.718 10.584 1.00 0.00 O ATOM 445 CB ARG A 502 1.113 26.267 12.267 1.00 0.00 C ATOM 446 CG ARG A 502 1.631 27.613 12.811 1.00 0.00 C ATOM 447 CD ARG A 502 0.854 28.797 12.222 1.00 0.00 C ATOM 448 NE ARG A 502 1.173 28.991 10.790 1.00 0.00 N ATOM 449 CZ ARG A 502 0.491 29.702 9.909 1.00 0.00 C ATOM 450 NH1 ARG A 502 -0.592 30.355 10.228 1.00 0.00 N ATOM 451 NH2 ARG A 502 0.891 29.769 8.671 1.00 0.00 N ATOM 0 H ARG A 502 2.646 25.771 14.403 1.00 0.00 H new ATOM 0 HA ARG A 502 1.616 24.179 12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 502 0.933 26.362 11.196 1.00 0.00 H new ATOM 0 HB3 ARG A 502 0.154 26.041 12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 502 1.544 27.625 13.897 1.00 0.00 H new ATOM 0 HG3 ARG A 502 2.690 27.718 12.575 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -0.216 28.626 12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 502 1.094 29.704 12.776 1.00 0.00 H new ATOM 0 HE ARG A 502 2.012 28.524 10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -0.940 30.328 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -1.091 30.893 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 502 1.733 29.272 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 502 0.363 30.318 7.993 1.00 0.00 H new ATOM 465 N ASP A 503 4.492 24.724 12.266 1.00 0.00 N ATOM 466 CA ASP A 503 5.825 24.765 11.655 1.00 0.00 C ATOM 467 C ASP A 503 6.415 23.348 11.534 1.00 0.00 C ATOM 468 O ASP A 503 6.559 22.629 12.526 1.00 0.00 O ATOM 469 CB ASP A 503 6.723 25.705 12.478 1.00 0.00 C ATOM 470 CG ASP A 503 8.078 25.983 11.804 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.119 26.148 10.560 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.094 26.102 12.527 1.00 0.00 O ATOM 0 H ASP A 503 4.491 24.285 13.187 1.00 0.00 H new ATOM 0 HA ASP A 503 5.757 25.157 10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.202 26.649 12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 503 6.895 25.266 13.461 1.00 0.00 H new ATOM 477 N VAL A 504 6.710 22.928 10.298 1.00 0.00 N ATOM 478 CA VAL A 504 7.330 21.629 9.992 1.00 0.00 C ATOM 479 C VAL A 504 8.862 21.717 10.106 1.00 0.00 C ATOM 480 O VAL A 504 9.468 22.716 9.702 1.00 0.00 O ATOM 481 CB VAL A 504 6.855 21.130 8.608 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.488 21.861 7.417 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.078 19.622 8.455 1.00 0.00 C ATOM 0 H VAL A 504 6.522 23.489 9.467 1.00 0.00 H new ATOM 0 HA VAL A 504 7.010 20.890 10.726 1.00 0.00 H new ATOM 0 HB VAL A 504 5.789 21.358 8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.098 21.447 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.246 22.922 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.570 21.734 7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.734 19.301 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.140 19.399 8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.519 19.091 9.226 1.00 0.00 H new ATOM 493 N LEU A 505 9.497 20.677 10.654 1.00 0.00 N ATOM 494 CA LEU A 505 10.939 20.614 10.939 1.00 0.00 C ATOM 495 C LEU A 505 11.585 19.389 10.266 1.00 0.00 C ATOM 496 O LEU A 505 10.942 18.356 10.067 1.00 0.00 O ATOM 497 CB LEU A 505 11.172 20.569 12.469 1.00 0.00 C ATOM 498 CG LEU A 505 11.220 21.895 13.258 1.00 0.00 C ATOM 499 CD1 LEU A 505 12.300 22.846 12.740 1.00 0.00 C ATOM 500 CD2 LEU A 505 9.889 22.639 13.309 1.00 0.00 C ATOM 0 H LEU A 505 9.006 19.824 10.922 1.00 0.00 H new ATOM 0 HA LEU A 505 11.408 21.509 10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.383 19.956 12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.113 20.048 12.643 1.00 0.00 H new ATOM 0 HG LEU A 505 11.465 21.583 14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 505 12.291 23.763 13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 505 13.276 22.369 12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 505 12.104 23.085 11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 505 10.008 23.559 13.881 1.00 0.00 H new ATOM 0 HD22 LEU A 505 9.568 22.881 12.296 1.00 0.00 H new ATOM 0 HD23 LEU A 505 9.138 22.009 13.787 1.00 0.00 H new ATOM 512 N GLU A 506 12.873 19.491 9.936 1.00 0.00 N ATOM 513 CA GLU A 506 13.636 18.435 9.260 1.00 0.00 C ATOM 514 C GLU A 506 14.521 17.709 10.279 1.00 0.00 C ATOM 515 O GLU A 506 15.520 18.260 10.744 1.00 0.00 O ATOM 516 CB GLU A 506 14.456 19.048 8.111 1.00 0.00 C ATOM 517 CG GLU A 506 15.236 17.988 7.321 1.00 0.00 C ATOM 518 CD GLU A 506 15.977 18.585 6.107 1.00 0.00 C ATOM 519 OE1 GLU A 506 16.671 19.622 6.243 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.901 17.994 5.002 1.00 0.00 O ATOM 0 H GLU A 506 13.427 20.324 10.134 1.00 0.00 H new ATOM 0 HA GLU A 506 12.960 17.698 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.788 19.582 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.153 19.782 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.956 17.504 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.548 17.215 6.979 1.00 0.00 H new ATOM 527 N VAL A 507 14.136 16.488 10.664 1.00 0.00 N ATOM 528 CA VAL A 507 14.916 15.637 11.580 1.00 0.00 C ATOM 529 C VAL A 507 16.298 15.286 11.008 1.00 0.00 C ATOM 530 O VAL A 507 16.451 14.990 9.820 1.00 0.00 O ATOM 531 CB VAL A 507 14.112 14.391 12.009 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.709 13.477 10.847 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.865 13.552 13.050 1.00 0.00 C ATOM 0 H VAL A 507 13.268 16.055 10.348 1.00 0.00 H new ATOM 0 HA VAL A 507 15.106 16.215 12.484 1.00 0.00 H new ATOM 0 HB VAL A 507 13.201 14.800 12.445 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.148 12.625 11.232 1.00 0.00 H new ATOM 0 HG12 VAL A 507 13.088 14.033 10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.604 13.121 10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 507 14.263 12.685 13.323 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.814 13.217 12.630 1.00 0.00 H new ATOM 0 HG23 VAL A 507 15.054 14.157 13.937 1.00 0.00 H new ATOM 543 N LEU A 508 17.302 15.296 11.889 1.00 0.00 N ATOM 544 CA LEU A 508 18.714 15.020 11.600 1.00 0.00 C ATOM 545 C LEU A 508 19.269 13.862 12.449 1.00 0.00 C ATOM 546 O LEU A 508 20.141 13.123 11.986 1.00 0.00 O ATOM 547 CB LEU A 508 19.542 16.284 11.893 1.00 0.00 C ATOM 548 CG LEU A 508 19.152 17.557 11.122 1.00 0.00 C ATOM 549 CD1 LEU A 508 20.029 18.693 11.651 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.347 17.419 9.612 1.00 0.00 C ATOM 0 H LEU A 508 17.145 15.508 12.874 1.00 0.00 H new ATOM 0 HA LEU A 508 18.785 14.733 10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.473 16.497 12.960 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.588 16.063 11.679 1.00 0.00 H new ATOM 0 HG LEU A 508 18.091 17.752 11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.783 19.617 11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.852 18.822 12.719 1.00 0.00 H new ATOM 0 HD13 LEU A 508 21.078 18.450 11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 508 19.056 18.348 9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.395 17.209 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.730 16.602 9.239 1.00 0.00 H new ATOM 562 N ASP A 509 18.760 13.688 13.674 1.00 0.00 N ATOM 563 CA ASP A 509 19.111 12.587 14.579 1.00 0.00 C ATOM 564 C ASP A 509 17.941 12.254 15.525 1.00 0.00 C ATOM 565 O ASP A 509 17.221 13.147 15.981 1.00 0.00 O ATOM 566 CB ASP A 509 20.366 12.956 15.388 1.00 0.00 C ATOM 567 CG ASP A 509 20.895 11.747 16.175 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.704 10.969 15.614 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.490 11.555 17.346 1.00 0.00 O ATOM 0 H ASP A 509 18.073 14.327 14.075 1.00 0.00 H new ATOM 0 HA ASP A 509 19.320 11.701 13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.141 13.322 14.715 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.132 13.768 16.077 1.00 0.00 H new ATOM 574 N ASP A 510 17.778 10.965 15.831 1.00 0.00 N ATOM 575 CA ASP A 510 16.671 10.398 16.617 1.00 0.00 C ATOM 576 C ASP A 510 17.147 9.340 17.647 1.00 0.00 C ATOM 577 O ASP A 510 16.358 8.523 18.132 1.00 0.00 O ATOM 578 CB ASP A 510 15.602 9.856 15.648 1.00 0.00 C ATOM 579 CG ASP A 510 16.134 8.777 14.687 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.225 7.589 15.080 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.452 9.105 13.518 1.00 0.00 O ATOM 0 H ASP A 510 18.442 10.253 15.526 1.00 0.00 H new ATOM 0 HA ASP A 510 16.226 11.187 17.224 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.776 9.441 16.226 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.199 10.684 15.065 1.00 0.00 H new ATOM 586 N SER A 511 18.445 9.347 17.990 1.00 0.00 N ATOM 587 CA SER A 511 19.098 8.373 18.887 1.00 0.00 C ATOM 588 C SER A 511 18.493 8.314 20.304 1.00 0.00 C ATOM 589 O SER A 511 18.476 7.250 20.937 1.00 0.00 O ATOM 590 CB SER A 511 20.592 8.717 18.973 1.00 0.00 C ATOM 591 OG SER A 511 21.322 7.720 19.669 1.00 0.00 O ATOM 0 H SER A 511 19.093 10.053 17.640 1.00 0.00 H new ATOM 0 HA SER A 511 18.936 7.384 18.457 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.998 8.829 17.968 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.716 9.676 19.476 1.00 0.00 H new ATOM 0 HG SER A 511 22.269 7.971 19.703 1.00 0.00 H new ATOM 597 N ARG A 512 17.965 9.444 20.795 1.00 0.00 N ATOM 598 CA ARG A 512 17.365 9.639 22.129 1.00 0.00 C ATOM 599 C ARG A 512 16.066 10.448 22.045 1.00 0.00 C ATOM 600 O ARG A 512 15.745 10.990 20.989 1.00 0.00 O ATOM 601 CB ARG A 512 18.387 10.356 23.037 1.00 0.00 C ATOM 602 CG ARG A 512 19.680 9.549 23.237 1.00 0.00 C ATOM 603 CD ARG A 512 20.637 10.227 24.225 1.00 0.00 C ATOM 604 NE ARG A 512 21.238 11.453 23.654 1.00 0.00 N ATOM 605 CZ ARG A 512 22.139 12.229 24.232 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.582 12.002 25.437 1.00 0.00 N ATOM 607 NH2 ARG A 512 22.622 13.261 23.600 1.00 0.00 N ATOM 0 H ARG A 512 17.942 10.300 20.241 1.00 0.00 H new ATOM 0 HA ARG A 512 17.115 8.665 22.549 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.633 11.325 22.603 1.00 0.00 H new ATOM 0 HB3 ARG A 512 17.931 10.548 24.008 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.432 8.552 23.600 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.180 9.423 22.277 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.098 10.478 25.139 1.00 0.00 H new ATOM 0 HD3 ARG A 512 21.428 9.530 24.502 1.00 0.00 H new ATOM 0 HE ARG A 512 20.926 11.726 22.722 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.233 11.203 25.967 1.00 0.00 H new ATOM 0 HH12 ARG A 512 23.278 12.623 25.850 1.00 0.00 H new ATOM 0 HH21 ARG A 512 22.305 13.474 22.654 1.00 0.00 H new ATOM 0 HH22 ARG A 512 23.317 13.856 24.051 1.00 0.00 H new ATOM 621 N LYS A 513 15.339 10.576 23.166 1.00 0.00 N ATOM 622 CA LYS A 513 14.093 11.372 23.273 1.00 0.00 C ATOM 623 C LYS A 513 14.234 12.842 22.836 1.00 0.00 C ATOM 624 O LYS A 513 13.263 13.429 22.367 1.00 0.00 O ATOM 625 CB LYS A 513 13.491 11.247 24.686 1.00 0.00 C ATOM 626 CG LYS A 513 14.371 11.831 25.811 1.00 0.00 C ATOM 627 CD LYS A 513 13.617 12.794 26.744 1.00 0.00 C ATOM 628 CE LYS A 513 12.912 12.120 27.933 1.00 0.00 C ATOM 629 NZ LYS A 513 11.769 11.254 27.536 1.00 0.00 N ATOM 0 H LYS A 513 15.600 10.124 24.042 1.00 0.00 H new ATOM 0 HA LYS A 513 13.398 10.940 22.553 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.524 11.749 24.701 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.306 10.194 24.896 1.00 0.00 H new ATOM 0 HG2 LYS A 513 14.782 11.012 26.402 1.00 0.00 H new ATOM 0 HG3 LYS A 513 15.215 12.357 25.365 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.322 13.532 27.128 1.00 0.00 H new ATOM 0 HD3 LYS A 513 12.874 13.337 26.159 1.00 0.00 H new ATOM 0 HE2 LYS A 513 13.638 11.520 28.482 1.00 0.00 H new ATOM 0 HE3 LYS A 513 12.553 12.890 28.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 11.341 10.833 28.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 11.057 11.825 27.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 12.108 10.498 26.908 1.00 0.00 H new ATOM 643 N TRP A 514 15.431 13.420 22.947 1.00 0.00 N ATOM 644 CA TRP A 514 15.790 14.720 22.373 1.00 0.00 C ATOM 645 C TRP A 514 16.214 14.552 20.906 1.00 0.00 C ATOM 646 O TRP A 514 17.387 14.306 20.606 1.00 0.00 O ATOM 647 CB TRP A 514 16.889 15.380 23.214 1.00 0.00 C ATOM 648 CG TRP A 514 16.457 15.816 24.580 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.581 15.101 25.723 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.816 17.072 24.966 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.048 15.818 26.780 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.553 17.037 26.368 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.438 18.240 24.270 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.927 18.098 27.040 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.823 19.319 24.936 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.560 19.247 26.316 1.00 0.00 C ATOM 0 H TRP A 514 16.201 12.984 23.454 1.00 0.00 H new ATOM 0 HA TRP A 514 14.921 15.378 22.390 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.718 14.680 23.317 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.269 16.247 22.674 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.028 14.121 25.798 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.024 15.486 27.744 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.623 18.308 23.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.729 18.033 28.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.552 20.207 24.384 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.077 20.072 26.819 1.00 0.00 H new ATOM 667 N TRP A 515 15.251 14.652 19.987 1.00 0.00 N ATOM 668 CA TRP A 515 15.518 14.668 18.546 1.00 0.00 C ATOM 669 C TRP A 515 16.235 15.962 18.148 1.00 0.00 C ATOM 670 O TRP A 515 15.956 17.037 18.691 1.00 0.00 O ATOM 671 CB TRP A 515 14.210 14.499 17.750 1.00 0.00 C ATOM 672 CG TRP A 515 13.647 13.106 17.698 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.831 12.149 18.635 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.847 12.469 16.650 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.215 10.977 18.256 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.586 11.117 17.037 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.332 12.885 15.401 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.853 10.229 16.235 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.622 11.991 14.575 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.372 10.671 14.991 1.00 0.00 C ATOM 0 H TRP A 515 14.261 14.724 20.221 1.00 0.00 H new ATOM 0 HA TRP A 515 16.171 13.829 18.306 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.457 15.158 18.182 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.383 14.838 16.729 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.384 12.285 19.553 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.223 10.118 18.805 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.485 13.903 15.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.661 9.220 16.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 11.266 12.323 13.611 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.812 10.000 14.357 1.00 0.00 H new ATOM 691 N LYS A 516 17.141 15.863 17.172 1.00 0.00 N ATOM 692 CA LYS A 516 17.804 17.016 16.543 1.00 0.00 C ATOM 693 C LYS A 516 17.087 17.358 15.241 1.00 0.00 C ATOM 694 O LYS A 516 16.804 16.467 14.438 1.00 0.00 O ATOM 695 CB LYS A 516 19.287 16.690 16.297 1.00 0.00 C ATOM 696 CG LYS A 516 20.076 17.951 15.921 1.00 0.00 C ATOM 697 CD LYS A 516 21.566 17.661 15.706 1.00 0.00 C ATOM 698 CE LYS A 516 22.239 18.927 15.163 1.00 0.00 C ATOM 699 NZ LYS A 516 23.690 18.737 14.904 1.00 0.00 N ATOM 0 H LYS A 516 17.442 14.967 16.788 1.00 0.00 H new ATOM 0 HA LYS A 516 17.755 17.883 17.202 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.717 16.242 17.193 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.373 15.952 15.499 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.657 18.382 15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.963 18.696 16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 516 22.031 17.358 16.644 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.693 16.835 15.006 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.745 19.229 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 516 22.105 19.740 15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 24.035 19.498 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 24.210 18.762 15.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.843 17.818 14.442 1.00 0.00 H new ATOM 713 N VAL A 517 16.838 18.646 15.012 1.00 0.00 N ATOM 714 CA VAL A 517 16.162 19.163 13.810 1.00 0.00 C ATOM 715 C VAL A 517 16.879 20.388 13.233 1.00 0.00 C ATOM 716 O VAL A 517 17.565 21.116 13.958 1.00 0.00 O ATOM 717 CB VAL A 517 14.683 19.512 14.084 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.835 18.277 14.418 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.488 20.538 15.207 1.00 0.00 C ATOM 0 H VAL A 517 17.104 19.380 15.668 1.00 0.00 H new ATOM 0 HA VAL A 517 16.199 18.359 13.075 1.00 0.00 H new ATOM 0 HB VAL A 517 14.345 19.951 13.145 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.805 18.582 14.601 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.864 17.579 13.581 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.234 17.792 15.309 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.424 20.733 15.341 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.905 20.146 16.135 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.996 21.466 14.944 1.00 0.00 H new ATOM 729 N ARG A 518 16.671 20.639 11.934 1.00 0.00 N ATOM 730 CA ARG A 518 17.066 21.866 11.232 1.00 0.00 C ATOM 731 C ARG A 518 15.829 22.721 10.964 1.00 0.00 C ATOM 732 O ARG A 518 14.848 22.258 10.378 1.00 0.00 O ATOM 733 CB ARG A 518 17.762 21.531 9.899 1.00 0.00 C ATOM 734 CG ARG A 518 18.725 22.642 9.464 1.00 0.00 C ATOM 735 CD ARG A 518 19.078 22.486 7.983 1.00 0.00 C ATOM 736 NE ARG A 518 20.253 23.303 7.635 1.00 0.00 N ATOM 737 CZ ARG A 518 20.546 23.832 6.458 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.739 23.766 5.436 1.00 0.00 N ATOM 739 NH2 ARG A 518 21.679 24.446 6.281 1.00 0.00 N ATOM 0 H ARG A 518 16.206 19.969 11.321 1.00 0.00 H new ATOM 0 HA ARG A 518 17.766 22.417 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.310 20.594 10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 518 17.010 21.378 9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 518 18.268 23.617 9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.632 22.604 10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.280 21.438 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 518 18.228 22.784 7.369 1.00 0.00 H new ATOM 0 HE ARG A 518 20.917 23.482 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.840 23.292 5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 518 20.006 24.188 4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 518 22.344 24.521 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.902 24.853 5.373 1.00 0.00 H new ATOM 753 N ASP A 519 15.889 23.970 11.398 1.00 0.00 N ATOM 754 CA ASP A 519 14.931 25.022 11.039 1.00 0.00 C ATOM 755 C ASP A 519 15.222 25.634 9.645 1.00 0.00 C ATOM 756 O ASP A 519 16.345 25.525 9.135 1.00 0.00 O ATOM 757 CB ASP A 519 14.958 26.099 12.132 1.00 0.00 C ATOM 758 CG ASP A 519 16.375 26.625 12.385 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.882 27.411 11.552 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.965 26.240 13.416 1.00 0.00 O ATOM 0 H ASP A 519 16.623 24.296 12.027 1.00 0.00 H new ATOM 0 HA ASP A 519 13.936 24.582 10.972 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.311 26.926 11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.554 25.687 13.057 1.00 0.00 H new ATOM 765 N PRO A 520 14.239 26.305 9.009 1.00 0.00 N ATOM 766 CA PRO A 520 14.414 26.934 7.694 1.00 0.00 C ATOM 767 C PRO A 520 15.321 28.181 7.676 1.00 0.00 C ATOM 768 O PRO A 520 15.713 28.626 6.594 1.00 0.00 O ATOM 769 CB PRO A 520 12.996 27.249 7.207 1.00 0.00 C ATOM 770 CG PRO A 520 12.192 27.406 8.495 1.00 0.00 C ATOM 771 CD PRO A 520 12.841 26.378 9.419 1.00 0.00 C ATOM 0 HA PRO A 520 14.947 26.250 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.972 28.159 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 520 12.600 26.447 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 520 12.265 28.416 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 520 11.133 27.200 8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.754 26.680 10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 520 12.355 25.407 9.327 1.00 0.00 H new ATOM 779 N ALA A 521 15.696 28.738 8.836 1.00 0.00 N ATOM 780 CA ALA A 521 16.750 29.759 8.939 1.00 0.00 C ATOM 781 C ALA A 521 18.169 29.172 8.752 1.00 0.00 C ATOM 782 O ALA A 521 19.115 29.922 8.490 1.00 0.00 O ATOM 783 CB ALA A 521 16.623 30.507 10.279 1.00 0.00 C ATOM 0 H ALA A 521 15.276 28.493 9.733 1.00 0.00 H new ATOM 0 HA ALA A 521 16.608 30.466 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 521 17.406 31.262 10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.647 30.990 10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.726 29.799 11.102 1.00 0.00 H new ATOM 789 N GLY A 522 18.327 27.848 8.858 1.00 0.00 N ATOM 790 CA GLY A 522 19.594 27.136 8.662 1.00 0.00 C ATOM 791 C GLY A 522 20.386 26.907 9.954 1.00 0.00 C ATOM 792 O GLY A 522 21.565 26.544 9.888 1.00 0.00 O ATOM 0 H GLY A 522 17.554 27.224 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.389 26.171 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 522 20.212 27.701 7.964 1.00 0.00 H new ATOM 796 N GLN A 523 19.763 27.121 11.117 1.00 0.00 N ATOM 797 CA GLN A 523 20.313 26.769 12.430 1.00 0.00 C ATOM 798 C GLN A 523 19.845 25.351 12.850 1.00 0.00 C ATOM 799 O GLN A 523 19.198 24.635 12.077 1.00 0.00 O ATOM 800 CB GLN A 523 19.949 27.854 13.470 1.00 0.00 C ATOM 801 CG GLN A 523 20.232 29.302 13.015 1.00 0.00 C ATOM 802 CD GLN A 523 20.620 30.237 14.166 1.00 0.00 C ATOM 803 OE1 GLN A 523 21.465 29.938 15.004 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.043 31.419 14.253 1.00 0.00 N ATOM 0 H GLN A 523 18.841 27.554 11.173 1.00 0.00 H new ATOM 0 HA GLN A 523 21.401 26.736 12.373 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.890 27.764 13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.505 27.660 14.387 1.00 0.00 H new ATOM 0 HG2 GLN A 523 21.035 29.293 12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 523 19.347 29.698 12.518 1.00 0.00 H new ATOM 0 HE21 GLN A 523 19.337 31.694 13.570 1.00 0.00 H new ATOM 0 HE22 GLN A 523 20.302 32.059 15.004 1.00 0.00 H new ATOM 813 N GLU A 524 20.192 24.924 14.069 1.00 0.00 N ATOM 814 CA GLU A 524 19.803 23.628 14.653 1.00 0.00 C ATOM 815 C GLU A 524 19.440 23.761 16.142 1.00 0.00 C ATOM 816 O GLU A 524 19.885 24.684 16.833 1.00 0.00 O ATOM 817 CB GLU A 524 20.964 22.621 14.529 1.00 0.00 C ATOM 818 CG GLU A 524 21.151 22.005 13.135 1.00 0.00 C ATOM 819 CD GLU A 524 22.626 22.043 12.698 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.423 21.191 13.167 1.00 0.00 O ATOM 821 OE2 GLU A 524 23.004 22.923 11.888 1.00 0.00 O ATOM 0 H GLU A 524 20.768 25.484 14.698 1.00 0.00 H new ATOM 0 HA GLU A 524 18.929 23.278 14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.889 23.121 14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.803 21.816 15.246 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.798 20.974 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.541 22.546 12.411 1.00 0.00 H new ATOM 828 N GLY A 525 18.694 22.780 16.662 1.00 0.00 N ATOM 829 CA GLY A 525 18.495 22.597 18.099 1.00 0.00 C ATOM 830 C GLY A 525 17.889 21.238 18.454 1.00 0.00 C ATOM 831 O GLY A 525 17.209 20.607 17.641 1.00 0.00 O ATOM 0 H GLY A 525 18.209 22.087 16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.452 22.705 18.609 1.00 0.00 H new ATOM 0 HA3 GLY A 525 17.844 23.387 18.473 1.00 0.00 H new ATOM 835 N TYR A 526 18.136 20.795 19.686 1.00 0.00 N ATOM 836 CA TYR A 526 17.469 19.645 20.294 1.00 0.00 C ATOM 837 C TYR A 526 16.080 20.025 20.833 1.00 0.00 C ATOM 838 O TYR A 526 15.898 21.105 21.406 1.00 0.00 O ATOM 839 CB TYR A 526 18.351 19.077 21.415 1.00 0.00 C ATOM 840 CG TYR A 526 19.612 18.392 20.915 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.518 17.172 20.215 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.878 18.970 21.139 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.680 16.543 19.729 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.042 18.350 20.644 1.00 0.00 C ATOM 845 CZ TYR A 526 21.945 17.134 19.934 1.00 0.00 C ATOM 846 OH TYR A 526 23.063 16.533 19.445 1.00 0.00 O ATOM 0 H TYR A 526 18.820 21.235 20.302 1.00 0.00 H new ATOM 0 HA TYR A 526 17.323 18.882 19.530 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.631 19.886 22.090 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.768 18.364 21.998 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.552 16.718 20.051 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.956 19.894 21.693 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.603 15.606 19.198 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.008 18.805 20.808 1.00 0.00 H new ATOM 0 HH TYR A 526 23.850 17.071 19.673 1.00 0.00 H new ATOM 856 N VAL A 527 15.114 19.113 20.683 1.00 0.00 N ATOM 857 CA VAL A 527 13.717 19.232 21.150 1.00 0.00 C ATOM 858 C VAL A 527 13.140 17.845 21.483 1.00 0.00 C ATOM 859 O VAL A 527 13.560 16.854 20.879 1.00 0.00 O ATOM 860 CB VAL A 527 12.795 19.901 20.101 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.830 21.426 20.212 1.00 0.00 C ATOM 862 CG2 VAL A 527 13.115 19.505 18.653 1.00 0.00 C ATOM 0 H VAL A 527 15.287 18.226 20.210 1.00 0.00 H new ATOM 0 HA VAL A 527 13.746 19.861 22.039 1.00 0.00 H new ATOM 0 HB VAL A 527 11.797 19.530 20.334 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.171 21.861 19.460 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.496 21.726 21.205 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.848 21.779 20.050 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.428 20.013 17.976 1.00 0.00 H new ATOM 0 HG22 VAL A 527 14.139 19.794 18.415 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.006 18.427 18.538 1.00 0.00 H new ATOM 872 N PRO A 528 12.180 17.730 22.420 1.00 0.00 N ATOM 873 CA PRO A 528 11.598 16.438 22.778 1.00 0.00 C ATOM 874 C PRO A 528 10.734 15.879 21.635 1.00 0.00 C ATOM 875 O PRO A 528 9.920 16.591 21.048 1.00 0.00 O ATOM 876 CB PRO A 528 10.786 16.701 24.050 1.00 0.00 C ATOM 877 CG PRO A 528 10.406 18.179 23.952 1.00 0.00 C ATOM 878 CD PRO A 528 11.586 18.803 23.208 1.00 0.00 C ATOM 0 HA PRO A 528 12.360 15.678 22.951 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.902 16.065 24.097 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.373 16.499 24.946 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.471 18.318 23.409 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.272 18.625 24.937 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.255 19.620 22.567 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.311 19.220 23.907 1.00 0.00 H new ATOM 886 N TYR A 529 10.855 14.582 21.342 1.00 0.00 N ATOM 887 CA TYR A 529 10.033 13.900 20.331 1.00 0.00 C ATOM 888 C TYR A 529 8.522 13.921 20.644 1.00 0.00 C ATOM 889 O TYR A 529 7.707 13.795 19.732 1.00 0.00 O ATOM 890 CB TYR A 529 10.522 12.457 20.132 1.00 0.00 C ATOM 891 CG TYR A 529 9.935 11.436 21.091 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.336 11.413 22.441 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.960 10.528 20.632 1.00 0.00 C ATOM 894 CE1 TYR A 529 9.760 10.488 23.334 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.383 9.600 21.519 1.00 0.00 C ATOM 896 CZ TYR A 529 8.782 9.580 22.873 1.00 0.00 C ATOM 897 OH TYR A 529 8.232 8.687 23.737 1.00 0.00 O ATOM 0 H TYR A 529 11.529 13.969 21.800 1.00 0.00 H new ATOM 0 HA TYR A 529 10.157 14.462 19.405 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.290 12.149 19.112 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.607 12.442 20.230 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.086 12.106 22.792 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.655 10.544 19.596 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.066 10.473 24.370 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.637 8.905 21.165 1.00 0.00 H new ATOM 0 HH TYR A 529 7.575 8.135 23.263 1.00 0.00 H new ATOM 907 N ASN A 530 8.142 14.095 21.918 1.00 0.00 N ATOM 908 CA ASN A 530 6.755 14.074 22.394 1.00 0.00 C ATOM 909 C ASN A 530 5.865 15.182 21.790 1.00 0.00 C ATOM 910 O ASN A 530 4.690 14.938 21.501 1.00 0.00 O ATOM 911 CB ASN A 530 6.794 14.167 23.929 1.00 0.00 C ATOM 912 CG ASN A 530 5.403 14.113 24.544 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.673 13.140 24.404 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.986 15.148 25.241 1.00 0.00 N ATOM 0 H ASN A 530 8.814 14.259 22.668 1.00 0.00 H new ATOM 0 HA ASN A 530 6.292 13.144 22.063 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.397 13.350 24.326 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.283 15.096 24.223 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.057 15.138 25.663 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.591 15.960 25.360 1.00 0.00 H new ATOM 921 N ILE A 531 6.409 16.392 21.590 1.00 0.00 N ATOM 922 CA ILE A 531 5.668 17.518 20.979 1.00 0.00 C ATOM 923 C ILE A 531 5.642 17.459 19.445 1.00 0.00 C ATOM 924 O ILE A 531 4.812 18.115 18.812 1.00 0.00 O ATOM 925 CB ILE A 531 6.206 18.888 21.442 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.635 19.157 20.922 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.098 19.011 22.974 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.189 20.524 21.307 1.00 0.00 C ATOM 0 H ILE A 531 7.370 16.622 21.844 1.00 0.00 H new ATOM 0 HA ILE A 531 4.642 17.409 21.332 1.00 0.00 H new ATOM 0 HB ILE A 531 5.583 19.667 21.002 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.302 18.385 21.307 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.638 19.068 19.836 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.481 19.982 23.289 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.054 18.918 23.274 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.683 18.221 23.445 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.196 20.635 20.904 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.547 21.305 20.899 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.221 20.611 22.393 1.00 0.00 H new ATOM 940 N LEU A 532 6.556 16.689 18.851 1.00 0.00 N ATOM 941 CA LEU A 532 6.654 16.445 17.414 1.00 0.00 C ATOM 942 C LEU A 532 5.791 15.232 17.009 1.00 0.00 C ATOM 943 O LEU A 532 5.396 14.407 17.836 1.00 0.00 O ATOM 944 CB LEU A 532 8.137 16.220 17.039 1.00 0.00 C ATOM 945 CG LEU A 532 9.110 17.347 17.450 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.537 16.970 17.053 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.771 18.687 16.792 1.00 0.00 C ATOM 0 H LEU A 532 7.277 16.199 19.381 1.00 0.00 H new ATOM 0 HA LEU A 532 6.277 17.312 16.871 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.472 15.290 17.499 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.203 16.084 15.960 1.00 0.00 H new ATOM 0 HG LEU A 532 9.017 17.461 18.530 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.219 17.768 17.345 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.823 16.046 17.556 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.588 16.826 15.974 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.487 19.443 17.116 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.819 18.583 15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.765 18.991 17.083 1.00 0.00 H new ATOM 959 N THR A 533 5.531 15.103 15.710 1.00 0.00 N ATOM 960 CA THR A 533 4.846 13.957 15.085 1.00 0.00 C ATOM 961 C THR A 533 5.402 13.721 13.677 1.00 0.00 C ATOM 962 O THR A 533 5.900 14.669 13.064 1.00 0.00 O ATOM 963 CB THR A 533 3.319 14.181 14.980 1.00 0.00 C ATOM 964 OG1 THR A 533 2.976 15.487 14.561 1.00 0.00 O ATOM 965 CG2 THR A 533 2.593 13.927 16.302 1.00 0.00 C ATOM 0 H THR A 533 5.799 15.817 15.032 1.00 0.00 H new ATOM 0 HA THR A 533 5.026 13.090 15.720 1.00 0.00 H new ATOM 0 HB THR A 533 3.000 13.458 14.229 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.787 15.970 14.300 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.525 14.099 16.169 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.758 12.896 16.616 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.978 14.604 17.064 1.00 0.00 H new ATOM 973 N PRO A 534 5.308 12.502 13.114 1.00 0.00 N ATOM 974 CA PRO A 534 5.632 12.276 11.706 1.00 0.00 C ATOM 975 C PRO A 534 4.726 13.119 10.790 1.00 0.00 C ATOM 976 O PRO A 534 3.613 13.495 11.171 1.00 0.00 O ATOM 977 CB PRO A 534 5.464 10.769 11.487 1.00 0.00 C ATOM 978 CG PRO A 534 4.460 10.353 12.561 1.00 0.00 C ATOM 979 CD PRO A 534 4.792 11.284 13.726 1.00 0.00 C ATOM 0 HA PRO A 534 6.647 12.587 11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 534 5.093 10.549 10.486 1.00 0.00 H new ATOM 0 HB3 PRO A 534 6.411 10.241 11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 534 3.432 10.482 12.223 1.00 0.00 H new ATOM 0 HG3 PRO A 534 4.576 9.305 12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.907 11.491 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 534 5.531 10.835 14.390 1.00 0.00 H new ATOM 987 N TYR A 535 5.185 13.378 9.562 1.00 0.00 N ATOM 988 CA TYR A 535 4.440 14.134 8.546 1.00 0.00 C ATOM 989 C TYR A 535 4.186 13.274 7.288 1.00 0.00 C ATOM 990 O TYR A 535 4.812 13.488 6.242 1.00 0.00 O ATOM 991 CB TYR A 535 5.138 15.478 8.270 1.00 0.00 C ATOM 992 CG TYR A 535 4.346 16.435 7.387 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.997 16.729 7.681 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.963 17.041 6.275 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.265 17.605 6.857 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.237 17.923 5.451 1.00 0.00 C ATOM 997 CZ TYR A 535 2.883 18.204 5.738 1.00 0.00 C ATOM 998 OH TYR A 535 2.170 19.048 4.943 1.00 0.00 O ATOM 0 H TYR A 535 6.100 13.064 9.239 1.00 0.00 H new ATOM 0 HA TYR A 535 3.447 14.381 8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.343 15.968 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 535 6.101 15.282 7.798 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.524 16.280 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.998 16.828 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 535 1.230 17.819 7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.716 18.384 4.600 1.00 0.00 H new ATOM 0 HH TYR A 535 2.742 19.375 4.218 1.00 0.00 H new