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= 0.219 X(o=1.4,f=0.99) USER MOD Set 1.2: A 533 THR OG1 : rot 26:sc= 1.21 USER MOD Single : A 485 CYS SG : rot 150:sc= -0.0344 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 31:sc= 0.105 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 511 SER OG : rot -100:sc= 1.22 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ -166:sc= 0.934 (180deg=0.793) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.2) 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 10.261 14.415 7.511 1.00 0.00 N ATOM 118 CA TRP A 482 9.852 15.675 8.138 1.00 0.00 C ATOM 119 C TRP A 482 8.807 15.421 9.233 1.00 0.00 C ATOM 120 O TRP A 482 8.078 14.423 9.197 1.00 0.00 O ATOM 121 CB TRP A 482 9.280 16.625 7.073 1.00 0.00 C ATOM 122 CG TRP A 482 10.235 17.129 6.028 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.679 16.428 4.959 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.832 18.461 5.904 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.522 17.215 4.200 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.649 18.482 4.731 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.750 19.662 6.643 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.351 19.626 4.323 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.453 20.817 6.246 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.253 20.801 5.089 1.00 0.00 C ATOM 0 HA TRP A 482 10.726 16.135 8.598 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.462 16.113 6.566 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.850 17.487 7.583 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.414 15.406 4.733 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.992 16.899 3.352 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.136 19.696 7.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.960 19.604 3.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.377 21.720 6.834 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.790 21.689 4.790 1.00 0.00 H new ATOM 141 N VAL A 483 8.717 16.340 10.194 1.00 0.00 N ATOM 142 CA VAL A 483 7.834 16.240 11.369 1.00 0.00 C ATOM 143 C VAL A 483 7.093 17.552 11.605 1.00 0.00 C ATOM 144 O VAL A 483 7.702 18.621 11.706 1.00 0.00 O ATOM 145 CB VAL A 483 8.597 15.811 12.641 1.00 0.00 C ATOM 146 CG1 VAL A 483 8.928 14.317 12.589 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.893 16.595 12.895 1.00 0.00 C ATOM 0 H VAL A 483 9.268 17.199 10.182 1.00 0.00 H new ATOM 0 HA VAL A 483 7.105 15.460 11.152 1.00 0.00 H new ATOM 0 HB VAL A 483 7.922 16.035 13.467 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.466 14.032 13.493 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.005 13.742 12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.550 14.112 11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.366 16.231 13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.573 16.457 12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.662 17.655 13.004 1.00 0.00 H new ATOM 157 N LEU A 484 5.763 17.464 11.675 1.00 0.00 N ATOM 158 CA LEU A 484 4.872 18.585 11.962 1.00 0.00 C ATOM 159 C LEU A 484 4.689 18.669 13.486 1.00 0.00 C ATOM 160 O LEU A 484 4.168 17.742 14.115 1.00 0.00 O ATOM 161 CB LEU A 484 3.551 18.393 11.178 1.00 0.00 C ATOM 162 CG LEU A 484 2.818 19.718 10.877 1.00 0.00 C ATOM 163 CD1 LEU A 484 1.784 19.516 9.772 1.00 0.00 C ATOM 164 CD2 LEU A 484 2.091 20.287 12.093 1.00 0.00 C ATOM 0 H LEU A 484 5.265 16.586 11.529 1.00 0.00 H new ATOM 0 HA LEU A 484 5.285 19.539 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.766 17.884 10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 484 2.889 17.742 11.750 1.00 0.00 H new ATOM 0 HG LEU A 484 3.592 20.422 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 484 1.276 20.460 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 484 2.283 19.173 8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 484 1.054 18.771 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.595 21.218 11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.348 19.570 12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 484 2.810 20.480 12.889 1.00 0.00 H new ATOM 176 N CYS A 485 5.165 19.760 14.083 1.00 0.00 N ATOM 177 CA CYS A 485 5.057 20.053 15.512 1.00 0.00 C ATOM 178 C CYS A 485 3.587 20.106 15.975 1.00 0.00 C ATOM 179 O CYS A 485 2.809 20.934 15.500 1.00 0.00 O ATOM 180 CB CYS A 485 5.777 21.386 15.740 1.00 0.00 C ATOM 181 SG CYS A 485 7.567 21.109 15.792 1.00 0.00 S ATOM 0 H CYS A 485 5.654 20.491 13.567 1.00 0.00 H new ATOM 0 HA CYS A 485 5.517 19.262 16.105 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.530 22.085 14.941 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.441 21.837 16.674 1.00 0.00 H new ATOM 0 HG CYS A 485 8.183 22.167 15.353 1.00 0.00 H new ATOM 187 N ASN A 486 3.202 19.242 16.917 1.00 0.00 N ATOM 188 CA ASN A 486 1.837 19.173 17.457 1.00 0.00 C ATOM 189 C ASN A 486 1.571 20.234 18.548 1.00 0.00 C ATOM 190 O ASN A 486 0.425 20.634 18.766 1.00 0.00 O ATOM 191 CB ASN A 486 1.598 17.750 17.993 1.00 0.00 C ATOM 192 CG ASN A 486 0.161 17.300 17.787 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.755 17.657 18.517 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.083 16.504 16.770 1.00 0.00 N ATOM 0 H ASN A 486 3.836 18.560 17.334 1.00 0.00 H new ATOM 0 HA ASN A 486 1.134 19.396 16.654 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.271 17.055 17.491 1.00 0.00 H new ATOM 0 HB3 ASN A 486 1.840 17.717 19.055 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -1.035 16.184 16.589 1.00 0.00 H new ATOM 0 HD22 ASN A 486 0.679 16.206 16.161 1.00 0.00 H new ATOM 201 N TYR A 487 2.634 20.718 19.204 1.00 0.00 N ATOM 202 CA TYR A 487 2.603 21.703 20.295 1.00 0.00 C ATOM 203 C TYR A 487 3.816 22.650 20.215 1.00 0.00 C ATOM 204 O TYR A 487 4.869 22.288 19.681 1.00 0.00 O ATOM 205 CB TYR A 487 2.609 20.976 21.654 1.00 0.00 C ATOM 206 CG TYR A 487 1.486 19.971 21.856 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.216 20.401 22.290 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.707 18.608 21.579 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.835 19.472 22.432 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.657 17.679 21.704 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.618 18.107 22.130 1.00 0.00 C ATOM 212 OH TYR A 487 -1.629 17.203 22.251 1.00 0.00 O ATOM 0 H TYR A 487 3.583 20.420 18.979 1.00 0.00 H new ATOM 0 HA TYR A 487 1.692 22.294 20.197 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.562 20.459 21.767 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.555 21.722 22.447 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.048 21.444 22.514 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.686 18.274 21.269 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.806 19.802 22.771 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.828 16.638 21.474 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.303 16.313 22.002 1.00 0.00 H new ATOM 222 N ASP A 488 3.681 23.862 20.758 1.00 0.00 N ATOM 223 CA ASP A 488 4.795 24.803 20.923 1.00 0.00 C ATOM 224 C ASP A 488 5.731 24.432 22.094 1.00 0.00 C ATOM 225 O ASP A 488 5.325 23.773 23.059 1.00 0.00 O ATOM 226 CB ASP A 488 4.253 26.229 21.095 1.00 0.00 C ATOM 227 CG ASP A 488 3.573 26.457 22.456 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.389 26.077 22.617 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.213 27.046 23.362 1.00 0.00 O ATOM 0 H ASP A 488 2.790 24.222 21.099 1.00 0.00 H new ATOM 0 HA ASP A 488 5.399 24.746 20.018 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.073 26.939 20.982 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.538 26.438 20.299 1.00 0.00 H new ATOM 234 N PHE A 489 6.982 24.895 22.017 1.00 0.00 N ATOM 235 CA PHE A 489 8.011 24.742 23.054 1.00 0.00 C ATOM 236 C PHE A 489 9.075 25.833 22.876 1.00 0.00 C ATOM 237 O PHE A 489 9.754 25.878 21.847 1.00 0.00 O ATOM 238 CB PHE A 489 8.620 23.335 22.946 1.00 0.00 C ATOM 239 CG PHE A 489 9.756 22.992 23.896 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.482 22.648 25.235 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.084 22.934 23.425 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.526 22.260 26.096 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.125 22.527 24.280 1.00 0.00 C ATOM 244 CZ PHE A 489 11.848 22.200 25.618 1.00 0.00 C ATOM 0 H PHE A 489 7.320 25.406 21.201 1.00 0.00 H new ATOM 0 HA PHE A 489 7.578 24.854 24.048 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.821 22.609 23.099 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.981 23.201 21.926 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.467 22.682 25.602 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.303 23.203 22.402 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.312 22.008 27.124 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.137 22.466 23.908 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.649 21.903 26.279 1.00 0.00 H new ATOM 254 N GLN A 490 9.199 26.742 23.847 1.00 0.00 N ATOM 255 CA GLN A 490 10.243 27.774 23.856 1.00 0.00 C ATOM 256 C GLN A 490 11.563 27.183 24.391 1.00 0.00 C ATOM 257 O GLN A 490 11.592 26.615 25.488 1.00 0.00 O ATOM 258 CB GLN A 490 9.770 28.970 24.701 1.00 0.00 C ATOM 259 CG GLN A 490 10.681 30.197 24.528 1.00 0.00 C ATOM 260 CD GLN A 490 10.216 31.376 25.387 1.00 0.00 C ATOM 261 OE1 GLN A 490 10.252 31.342 26.612 1.00 0.00 O ATOM 262 NE2 GLN A 490 9.767 32.465 24.794 1.00 0.00 N ATOM 0 H GLN A 490 8.576 26.784 24.653 1.00 0.00 H new ATOM 0 HA GLN A 490 10.428 28.126 22.841 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.751 29.233 24.418 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.745 28.683 25.752 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.703 29.932 24.798 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.695 30.494 23.479 1.00 0.00 H new ATOM 0 HE21 GLN A 490 9.729 32.513 23.776 1.00 0.00 H new ATOM 0 HE22 GLN A 490 9.457 33.260 25.354 1.00 0.00 H new ATOM 271 N ALA A 491 12.649 27.319 23.623 1.00 0.00 N ATOM 272 CA ALA A 491 13.962 26.751 23.941 1.00 0.00 C ATOM 273 C ALA A 491 15.096 27.615 23.363 1.00 0.00 C ATOM 274 O ALA A 491 15.141 27.863 22.157 1.00 0.00 O ATOM 275 CB ALA A 491 14.029 25.330 23.396 1.00 0.00 C ATOM 0 H ALA A 491 12.639 27.838 22.745 1.00 0.00 H new ATOM 0 HA ALA A 491 14.093 26.732 25.023 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.002 24.897 23.627 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.246 24.727 23.855 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.887 25.348 22.315 1.00 0.00 H new ATOM 330 N SER A 495 22.119 25.077 23.035 1.00 0.00 N ATOM 331 CA SER A 495 22.072 24.272 21.791 1.00 0.00 C ATOM 332 C SER A 495 20.656 23.732 21.495 1.00 0.00 C ATOM 333 O SER A 495 20.466 22.786 20.730 1.00 0.00 O ATOM 334 CB SER A 495 23.094 23.125 21.858 1.00 0.00 C ATOM 335 OG SER A 495 24.405 23.601 22.136 1.00 0.00 O ATOM 0 HA SER A 495 22.336 24.933 20.965 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.794 22.415 22.629 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.097 22.585 20.911 1.00 0.00 H new ATOM 0 HG SER A 495 24.350 24.406 22.692 1.00 0.00 H new ATOM 341 N GLU A 496 19.646 24.347 22.113 1.00 0.00 N ATOM 342 CA GLU A 496 18.214 24.102 21.914 1.00 0.00 C ATOM 343 C GLU A 496 17.600 25.214 21.038 1.00 0.00 C ATOM 344 O GLU A 496 18.172 26.303 20.905 1.00 0.00 O ATOM 345 CB GLU A 496 17.527 24.067 23.285 1.00 0.00 C ATOM 346 CG GLU A 496 17.855 22.806 24.096 1.00 0.00 C ATOM 347 CD GLU A 496 17.419 22.918 25.571 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.258 23.302 25.852 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.243 22.607 26.467 1.00 0.00 O ATOM 0 H GLU A 496 19.815 25.074 22.808 1.00 0.00 H new ATOM 0 HA GLU A 496 18.070 23.149 21.405 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.826 24.946 23.856 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.448 24.130 23.145 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.363 21.947 23.640 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.928 22.619 24.052 1.00 0.00 H new ATOM 356 N LEU A 497 16.424 24.954 20.454 1.00 0.00 N ATOM 357 CA LEU A 497 15.733 25.882 19.550 1.00 0.00 C ATOM 358 C LEU A 497 14.202 25.782 19.693 1.00 0.00 C ATOM 359 O LEU A 497 13.647 24.683 19.773 1.00 0.00 O ATOM 360 CB LEU A 497 16.167 25.546 18.107 1.00 0.00 C ATOM 361 CG LEU A 497 15.713 26.599 17.075 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.887 27.464 16.612 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.067 25.922 15.871 1.00 0.00 C ATOM 0 H LEU A 497 15.918 24.080 20.598 1.00 0.00 H new ATOM 0 HA LEU A 497 16.004 26.907 19.803 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.253 25.457 18.072 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.759 24.574 17.829 1.00 0.00 H new ATOM 0 HG LEU A 497 14.980 27.243 17.561 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.535 28.196 15.885 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.318 27.982 17.469 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.646 26.831 16.151 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.753 26.679 15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.787 25.252 15.400 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.199 25.349 16.198 1.00 0.00 H new ATOM 375 N SER A 498 13.524 26.933 19.721 1.00 0.00 N ATOM 376 CA SER A 498 12.063 27.026 19.818 1.00 0.00 C ATOM 377 C SER A 498 11.325 26.439 18.602 1.00 0.00 C ATOM 378 O SER A 498 11.840 26.431 17.479 1.00 0.00 O ATOM 379 CB SER A 498 11.633 28.484 20.048 1.00 0.00 C ATOM 380 OG SER A 498 12.110 29.341 19.022 1.00 0.00 O ATOM 0 H SER A 498 13.983 27.843 19.676 1.00 0.00 H new ATOM 0 HA SER A 498 11.776 26.416 20.675 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.545 28.540 20.092 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.009 28.826 21.012 1.00 0.00 H new ATOM 0 HG SER A 498 11.816 30.259 19.200 1.00 0.00 H new ATOM 386 N VAL A 499 10.084 25.989 18.825 1.00 0.00 N ATOM 387 CA VAL A 499 9.166 25.438 17.805 1.00 0.00 C ATOM 388 C VAL A 499 7.710 25.831 18.099 1.00 0.00 C ATOM 389 O VAL A 499 7.381 26.222 19.223 1.00 0.00 O ATOM 390 CB VAL A 499 9.275 23.898 17.679 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.673 23.428 17.260 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.878 23.142 18.954 1.00 0.00 C ATOM 0 H VAL A 499 9.670 25.997 19.757 1.00 0.00 H new ATOM 0 HA VAL A 499 9.471 25.873 16.853 1.00 0.00 H new ATOM 0 HB VAL A 499 8.559 23.658 16.893 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.685 22.340 17.189 1.00 0.00 H new ATOM 0 HG12 VAL A 499 10.926 23.858 16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.403 23.751 18.002 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.980 22.070 18.788 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.528 23.446 19.774 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.843 23.373 19.207 1.00 0.00 H new ATOM 402 N LYS A 500 6.831 25.703 17.095 1.00 0.00 N ATOM 403 CA LYS A 500 5.416 26.131 17.133 1.00 0.00 C ATOM 404 C LYS A 500 4.491 25.062 16.543 1.00 0.00 C ATOM 405 O LYS A 500 4.915 24.278 15.701 1.00 0.00 O ATOM 406 CB LYS A 500 5.247 27.457 16.359 1.00 0.00 C ATOM 407 CG LYS A 500 6.260 28.542 16.759 1.00 0.00 C ATOM 408 CD LYS A 500 5.863 29.911 16.191 1.00 0.00 C ATOM 409 CE LYS A 500 6.962 30.950 16.457 1.00 0.00 C ATOM 410 NZ LYS A 500 8.005 30.953 15.393 1.00 0.00 N ATOM 0 H LYS A 500 7.090 25.285 16.201 1.00 0.00 H new ATOM 0 HA LYS A 500 5.137 26.278 18.176 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.344 27.259 15.292 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.238 27.837 16.523 1.00 0.00 H new ATOM 0 HG2 LYS A 500 6.323 28.601 17.846 1.00 0.00 H new ATOM 0 HG3 LYS A 500 7.251 28.269 16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 500 5.687 29.828 15.119 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.928 30.240 16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 500 6.513 31.941 16.526 1.00 0.00 H new ATOM 0 HE3 LYS A 500 7.429 30.744 17.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 8.725 31.670 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 8.453 30.016 15.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 7.566 31.176 14.477 1.00 0.00 H new ATOM 424 N GLN A 501 3.204 25.091 16.903 1.00 0.00 N ATOM 425 CA GLN A 501 2.159 24.158 16.430 1.00 0.00 C ATOM 426 C GLN A 501 1.900 24.199 14.899 1.00 0.00 C ATOM 427 O GLN A 501 1.199 23.343 14.353 1.00 0.00 O ATOM 428 CB GLN A 501 0.880 24.450 17.240 1.00 0.00 C ATOM 429 CG GLN A 501 -0.292 23.498 16.953 1.00 0.00 C ATOM 430 CD GLN A 501 -1.415 23.652 17.977 1.00 0.00 C ATOM 431 OE1 GLN A 501 -2.184 24.608 17.959 1.00 0.00 O ATOM 432 NE2 GLN A 501 -1.562 22.726 18.901 1.00 0.00 N ATOM 0 H GLN A 501 2.841 25.787 17.555 1.00 0.00 H new ATOM 0 HA GLN A 501 2.507 23.139 16.599 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.119 24.400 18.302 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.560 25.471 17.033 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.682 23.693 15.954 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.066 22.469 16.959 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -0.929 21.926 18.927 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.309 22.808 19.591 1.00 0.00 H new ATOM 441 N ARG A 502 2.472 25.184 14.192 1.00 0.00 N ATOM 442 CA ARG A 502 2.330 25.394 12.739 1.00 0.00 C ATOM 443 C ARG A 502 3.689 25.457 12.030 1.00 0.00 C ATOM 444 O ARG A 502 3.828 26.097 10.985 1.00 0.00 O ATOM 445 CB ARG A 502 1.441 26.627 12.478 1.00 0.00 C ATOM 446 CG ARG A 502 0.009 26.417 12.990 1.00 0.00 C ATOM 447 CD ARG A 502 -0.879 27.615 12.649 1.00 0.00 C ATOM 448 NE ARG A 502 -2.263 27.394 13.115 1.00 0.00 N ATOM 449 CZ ARG A 502 -3.248 28.277 13.112 1.00 0.00 C ATOM 450 NH1 ARG A 502 -3.089 29.496 12.675 1.00 0.00 N ATOM 451 NH2 ARG A 502 -4.428 27.944 13.554 1.00 0.00 N ATOM 0 H ARG A 502 3.070 25.885 14.631 1.00 0.00 H new ATOM 0 HA ARG A 502 1.828 24.531 12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.877 27.499 12.966 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.417 26.838 11.409 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.410 25.513 12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.024 26.267 14.070 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -0.475 28.516 13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.876 27.780 11.572 1.00 0.00 H new ATOM 0 HE ARG A 502 -2.482 26.465 13.476 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.181 29.796 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -3.873 30.149 12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -4.594 27.000 13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -5.185 28.627 13.550 1.00 0.00 H new ATOM 465 N ASP A 503 4.696 24.788 12.594 1.00 0.00 N ATOM 466 CA ASP A 503 6.049 24.700 12.034 1.00 0.00 C ATOM 467 C ASP A 503 6.407 23.228 11.739 1.00 0.00 C ATOM 468 O ASP A 503 5.984 22.313 12.453 1.00 0.00 O ATOM 469 CB ASP A 503 7.012 25.388 13.016 1.00 0.00 C ATOM 470 CG ASP A 503 8.400 25.702 12.431 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.543 25.802 11.189 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.335 25.920 13.238 1.00 0.00 O ATOM 0 H ASP A 503 4.593 24.280 13.473 1.00 0.00 H new ATOM 0 HA ASP A 503 6.123 25.216 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.558 26.317 13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.136 24.750 13.891 1.00 0.00 H new ATOM 477 N VAL A 504 7.154 22.989 10.660 1.00 0.00 N ATOM 478 CA VAL A 504 7.485 21.647 10.149 1.00 0.00 C ATOM 479 C VAL A 504 8.968 21.583 9.783 1.00 0.00 C ATOM 480 O VAL A 504 9.459 22.383 8.981 1.00 0.00 O ATOM 481 CB VAL A 504 6.544 21.234 8.991 1.00 0.00 C ATOM 482 CG1 VAL A 504 6.550 22.172 7.772 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.827 19.809 8.500 1.00 0.00 C ATOM 0 H VAL A 504 7.558 23.739 10.099 1.00 0.00 H new ATOM 0 HA VAL A 504 7.316 20.910 10.934 1.00 0.00 H new ATOM 0 HB VAL A 504 5.555 21.299 9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.859 21.794 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.241 23.171 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 504 7.555 22.217 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.144 19.562 7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.855 19.745 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.684 19.106 9.321 1.00 0.00 H new ATOM 493 N LEU A 505 9.690 20.656 10.419 1.00 0.00 N ATOM 494 CA LEU A 505 11.156 20.617 10.425 1.00 0.00 C ATOM 495 C LEU A 505 11.699 19.293 9.865 1.00 0.00 C ATOM 496 O LEU A 505 11.004 18.275 9.842 1.00 0.00 O ATOM 497 CB LEU A 505 11.714 20.862 11.845 1.00 0.00 C ATOM 498 CG LEU A 505 11.361 22.156 12.610 1.00 0.00 C ATOM 499 CD1 LEU A 505 11.322 23.397 11.720 1.00 0.00 C ATOM 500 CD2 LEU A 505 10.060 22.059 13.408 1.00 0.00 C ATOM 0 H LEU A 505 9.265 19.898 10.954 1.00 0.00 H new ATOM 0 HA LEU A 505 11.495 21.421 9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.396 20.024 12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.801 20.814 11.777 1.00 0.00 H new ATOM 0 HG LEU A 505 12.183 22.269 13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 505 11.068 24.269 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 505 12.299 23.546 11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.571 23.263 10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 505 9.876 23.004 13.919 1.00 0.00 H new ATOM 0 HD22 LEU A 505 9.233 21.845 12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 505 10.143 21.259 14.143 1.00 0.00 H new ATOM 512 N GLU A 506 12.961 19.309 9.433 1.00 0.00 N ATOM 513 CA GLU A 506 13.644 18.160 8.831 1.00 0.00 C ATOM 514 C GLU A 506 14.454 17.425 9.902 1.00 0.00 C ATOM 515 O GLU A 506 15.305 18.031 10.558 1.00 0.00 O ATOM 516 CB GLU A 506 14.542 18.651 7.684 1.00 0.00 C ATOM 517 CG GLU A 506 15.135 17.511 6.849 1.00 0.00 C ATOM 518 CD GLU A 506 16.185 18.058 5.860 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.807 18.632 4.811 1.00 0.00 O ATOM 520 OE2 GLU A 506 17.407 17.924 6.128 1.00 0.00 O ATOM 0 H GLU A 506 13.551 20.139 9.493 1.00 0.00 H new ATOM 0 HA GLU A 506 12.916 17.460 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.963 19.306 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.354 19.250 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.595 16.772 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 506 14.342 17.002 6.302 1.00 0.00 H new ATOM 527 N VAL A 507 14.172 16.135 10.102 1.00 0.00 N ATOM 528 CA VAL A 507 14.836 15.303 11.118 1.00 0.00 C ATOM 529 C VAL A 507 16.267 14.973 10.684 1.00 0.00 C ATOM 530 O VAL A 507 16.499 14.538 9.551 1.00 0.00 O ATOM 531 CB VAL A 507 14.043 14.009 11.396 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.666 13.198 12.543 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.594 14.320 11.791 1.00 0.00 C ATOM 0 H VAL A 507 13.470 15.631 9.560 1.00 0.00 H new ATOM 0 HA VAL A 507 14.872 15.874 12.046 1.00 0.00 H new ATOM 0 HB VAL A 507 14.071 13.432 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.080 12.294 12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.688 12.925 12.282 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.672 13.799 13.452 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.061 13.389 11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.586 14.933 12.693 1.00 0.00 H new ATOM 0 HG23 VAL A 507 12.104 14.860 10.981 1.00 0.00 H new ATOM 543 N LEU A 508 17.220 15.146 11.604 1.00 0.00 N ATOM 544 CA LEU A 508 18.655 14.919 11.388 1.00 0.00 C ATOM 545 C LEU A 508 19.215 13.788 12.262 1.00 0.00 C ATOM 546 O LEU A 508 20.098 13.049 11.816 1.00 0.00 O ATOM 547 CB LEU A 508 19.423 16.217 11.692 1.00 0.00 C ATOM 548 CG LEU A 508 19.021 17.447 10.860 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.874 18.625 11.327 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.224 17.237 9.358 1.00 0.00 C ATOM 0 H LEU A 508 17.009 15.458 12.552 1.00 0.00 H new ATOM 0 HA LEU A 508 18.784 14.621 10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.289 16.457 12.747 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.486 16.031 11.540 1.00 0.00 H new ATOM 0 HG LEU A 508 17.957 17.632 11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.611 19.514 10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.692 18.809 12.386 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.928 18.394 11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.924 18.137 8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.275 17.029 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.618 16.395 9.023 1.00 0.00 H new ATOM 562 N ASP A 509 18.690 13.624 13.480 1.00 0.00 N ATOM 563 CA ASP A 509 19.018 12.520 14.385 1.00 0.00 C ATOM 564 C ASP A 509 17.850 12.204 15.335 1.00 0.00 C ATOM 565 O ASP A 509 17.103 13.094 15.750 1.00 0.00 O ATOM 566 CB ASP A 509 20.287 12.853 15.192 1.00 0.00 C ATOM 567 CG ASP A 509 20.714 11.661 16.070 1.00 0.00 C ATOM 568 OD1 ASP A 509 21.078 10.603 15.510 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.655 11.760 17.319 1.00 0.00 O ATOM 0 H ASP A 509 18.008 14.272 13.873 1.00 0.00 H new ATOM 0 HA ASP A 509 19.203 11.634 13.778 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.097 13.116 14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.104 13.725 15.820 1.00 0.00 H new ATOM 574 N ASP A 510 17.732 10.926 15.700 1.00 0.00 N ATOM 575 CA ASP A 510 16.663 10.352 16.531 1.00 0.00 C ATOM 576 C ASP A 510 17.196 9.325 17.567 1.00 0.00 C ATOM 577 O ASP A 510 16.446 8.499 18.096 1.00 0.00 O ATOM 578 CB ASP A 510 15.572 9.774 15.606 1.00 0.00 C ATOM 579 CG ASP A 510 16.102 8.749 14.585 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.743 7.745 14.979 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.869 8.935 13.365 1.00 0.00 O ATOM 0 H ASP A 510 18.413 10.224 15.411 1.00 0.00 H new ATOM 0 HA ASP A 510 16.220 11.141 17.139 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.804 9.300 16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.092 10.593 15.070 1.00 0.00 H new ATOM 586 N SER A 511 18.503 9.376 17.864 1.00 0.00 N ATOM 587 CA SER A 511 19.221 8.436 18.748 1.00 0.00 C ATOM 588 C SER A 511 18.705 8.368 20.198 1.00 0.00 C ATOM 589 O SER A 511 18.887 7.348 20.874 1.00 0.00 O ATOM 590 CB SER A 511 20.721 8.763 18.751 1.00 0.00 C ATOM 591 OG SER A 511 20.975 10.046 19.299 1.00 0.00 O ATOM 0 H SER A 511 19.114 10.098 17.483 1.00 0.00 H new ATOM 0 HA SER A 511 19.030 7.449 18.326 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.257 8.008 19.326 1.00 0.00 H new ATOM 0 HB3 SER A 511 21.105 8.719 17.732 1.00 0.00 H new ATOM 0 HG SER A 511 21.108 10.691 18.573 1.00 0.00 H new ATOM 597 N ARG A 512 18.039 9.428 20.675 1.00 0.00 N ATOM 598 CA ARG A 512 17.409 9.569 22.001 1.00 0.00 C ATOM 599 C ARG A 512 16.081 10.329 21.892 1.00 0.00 C ATOM 600 O ARG A 512 15.752 10.841 20.822 1.00 0.00 O ATOM 601 CB ARG A 512 18.362 10.332 22.945 1.00 0.00 C ATOM 602 CG ARG A 512 19.763 9.719 23.095 1.00 0.00 C ATOM 603 CD ARG A 512 20.529 10.448 24.205 1.00 0.00 C ATOM 604 NE ARG A 512 21.946 10.043 24.253 1.00 0.00 N ATOM 605 CZ ARG A 512 22.861 10.505 25.087 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.573 11.361 26.030 1.00 0.00 N ATOM 607 NH2 ARG A 512 24.100 10.115 24.987 1.00 0.00 N ATOM 0 H ARG A 512 17.916 10.268 20.109 1.00 0.00 H new ATOM 0 HA ARG A 512 17.210 8.574 22.400 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.467 11.354 22.581 1.00 0.00 H new ATOM 0 HB3 ARG A 512 17.901 10.391 23.931 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.683 8.658 23.331 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.307 9.796 22.154 1.00 0.00 H new ATOM 0 HD2 ARG A 512 20.464 11.524 24.044 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.059 10.241 25.167 1.00 0.00 H new ATOM 0 HE ARG A 512 22.248 9.340 23.579 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.616 11.695 26.141 1.00 0.00 H new ATOM 0 HH12 ARG A 512 23.306 11.696 26.656 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.368 9.450 24.262 1.00 0.00 H new ATOM 0 HH22 ARG A 512 24.802 10.475 25.634 1.00 0.00 H new ATOM 621 N LYS A 513 15.346 10.462 23.007 1.00 0.00 N ATOM 622 CA LYS A 513 14.113 11.276 23.091 1.00 0.00 C ATOM 623 C LYS A 513 14.276 12.733 22.632 1.00 0.00 C ATOM 624 O LYS A 513 13.315 13.315 22.138 1.00 0.00 O ATOM 625 CB LYS A 513 13.455 11.179 24.484 1.00 0.00 C ATOM 626 CG LYS A 513 14.193 11.819 25.674 1.00 0.00 C ATOM 627 CD LYS A 513 15.210 10.889 26.354 1.00 0.00 C ATOM 628 CE LYS A 513 15.693 11.521 27.665 1.00 0.00 C ATOM 629 NZ LYS A 513 16.516 10.571 28.461 1.00 0.00 N ATOM 0 H LYS A 513 15.589 10.005 23.886 1.00 0.00 H new ATOM 0 HA LYS A 513 13.432 10.831 22.365 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.466 11.634 24.420 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.306 10.123 24.711 1.00 0.00 H new ATOM 0 HG2 LYS A 513 14.710 12.714 25.328 1.00 0.00 H new ATOM 0 HG3 LYS A 513 13.459 12.140 26.413 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.754 9.919 26.553 1.00 0.00 H new ATOM 0 HD3 LYS A 513 16.057 10.713 25.690 1.00 0.00 H new ATOM 0 HE2 LYS A 513 16.278 12.414 27.445 1.00 0.00 H new ATOM 0 HE3 LYS A 513 14.833 11.840 28.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 16.825 11.032 29.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 15.950 9.730 28.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 17.349 10.286 27.908 1.00 0.00 H new ATOM 643 N TRP A 514 15.472 13.315 22.752 1.00 0.00 N ATOM 644 CA TRP A 514 15.816 14.612 22.158 1.00 0.00 C ATOM 645 C TRP A 514 16.193 14.442 20.677 1.00 0.00 C ATOM 646 O TRP A 514 17.351 14.174 20.343 1.00 0.00 O ATOM 647 CB TRP A 514 16.937 15.287 22.956 1.00 0.00 C ATOM 648 CG TRP A 514 16.557 15.669 24.353 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.716 14.905 25.459 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.934 16.910 24.809 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.214 15.575 26.559 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.714 16.814 26.217 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.538 18.111 24.177 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.113 17.847 26.952 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.945 19.159 24.908 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.723 19.025 26.291 1.00 0.00 C ATOM 0 H TRP A 514 16.241 12.893 23.272 1.00 0.00 H new ATOM 0 HA TRP A 514 14.943 15.263 22.202 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.794 14.614 22.996 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.259 16.181 22.422 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.166 13.923 25.479 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.213 15.199 27.507 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.693 18.227 23.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.952 17.738 28.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.659 20.070 24.404 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.254 19.826 26.844 1.00 0.00 H new ATOM 667 N TRP A 515 15.207 14.569 19.788 1.00 0.00 N ATOM 668 CA TRP A 515 15.434 14.581 18.340 1.00 0.00 C ATOM 669 C TRP A 515 16.127 15.885 17.918 1.00 0.00 C ATOM 670 O TRP A 515 15.847 16.962 18.457 1.00 0.00 O ATOM 671 CB TRP A 515 14.108 14.380 17.584 1.00 0.00 C ATOM 672 CG TRP A 515 13.565 12.977 17.564 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.812 12.023 18.490 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.708 12.331 16.567 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.195 10.840 18.144 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.491 10.974 16.966 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.096 12.746 15.363 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.714 10.080 16.212 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.316 11.855 14.598 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.123 10.527 15.018 1.00 0.00 C ATOM 0 H TRP A 515 14.226 14.667 20.051 1.00 0.00 H new ATOM 0 HA TRP A 515 16.093 13.752 18.081 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.357 15.033 18.029 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.247 14.709 16.554 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.410 12.168 19.378 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.252 9.979 18.688 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.228 13.763 15.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.572 9.062 16.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.862 12.196 13.679 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.523 9.853 14.425 1.00 0.00 H new ATOM 691 N LYS A 516 17.020 15.784 16.929 1.00 0.00 N ATOM 692 CA LYS A 516 17.704 16.918 16.292 1.00 0.00 C ATOM 693 C LYS A 516 16.998 17.249 14.980 1.00 0.00 C ATOM 694 O LYS A 516 16.746 16.357 14.164 1.00 0.00 O ATOM 695 CB LYS A 516 19.176 16.548 16.048 1.00 0.00 C ATOM 696 CG LYS A 516 20.029 17.754 15.628 1.00 0.00 C ATOM 697 CD LYS A 516 21.438 17.297 15.220 1.00 0.00 C ATOM 698 CE LYS A 516 22.226 18.418 14.529 1.00 0.00 C ATOM 699 NZ LYS A 516 22.758 19.436 15.475 1.00 0.00 N ATOM 0 H LYS A 516 17.297 14.884 16.536 1.00 0.00 H new ATOM 0 HA LYS A 516 17.671 17.796 16.937 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.592 16.113 16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.230 15.783 15.274 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.553 18.272 14.796 1.00 0.00 H new ATOM 0 HG3 LYS A 516 20.095 18.466 16.451 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.981 16.963 16.104 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.362 16.441 14.550 1.00 0.00 H new ATOM 0 HE2 LYS A 516 23.056 17.980 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.581 18.911 13.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.067 20.275 14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.013 19.707 16.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.566 19.038 15.995 1.00 0.00 H new ATOM 713 N VAL A 517 16.713 18.529 14.761 1.00 0.00 N ATOM 714 CA VAL A 517 16.018 19.036 13.567 1.00 0.00 C ATOM 715 C VAL A 517 16.669 20.323 13.049 1.00 0.00 C ATOM 716 O VAL A 517 17.427 20.985 13.767 1.00 0.00 O ATOM 717 CB VAL A 517 14.513 19.252 13.832 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.785 17.975 14.277 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.213 20.354 14.857 1.00 0.00 C ATOM 0 H VAL A 517 16.962 19.266 15.421 1.00 0.00 H new ATOM 0 HA VAL A 517 16.112 18.274 12.793 1.00 0.00 H new ATOM 0 HB VAL A 517 14.135 19.566 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.731 18.197 14.446 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.876 17.215 13.501 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.231 17.605 15.200 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.135 20.445 14.988 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.674 20.099 15.811 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.616 21.302 14.501 1.00 0.00 H new ATOM 729 N ARG A 518 16.336 20.695 11.807 1.00 0.00 N ATOM 730 CA ARG A 518 16.808 21.912 11.130 1.00 0.00 C ATOM 731 C ARG A 518 15.640 22.773 10.657 1.00 0.00 C ATOM 732 O ARG A 518 14.780 22.337 9.888 1.00 0.00 O ATOM 733 CB ARG A 518 17.773 21.513 10.006 1.00 0.00 C ATOM 734 CG ARG A 518 18.195 22.648 9.058 1.00 0.00 C ATOM 735 CD ARG A 518 19.611 22.423 8.509 1.00 0.00 C ATOM 736 NE ARG A 518 19.742 21.131 7.806 1.00 0.00 N ATOM 737 CZ ARG A 518 20.849 20.607 7.308 1.00 0.00 C ATOM 738 NH1 ARG A 518 22.007 21.198 7.414 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.811 19.466 6.679 1.00 0.00 N ATOM 0 H ARG A 518 15.709 20.139 11.225 1.00 0.00 H new ATOM 0 HA ARG A 518 17.358 22.541 11.830 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.670 21.087 10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 518 17.308 20.724 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.489 22.714 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.156 23.600 9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.866 23.233 7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 518 20.327 22.461 9.330 1.00 0.00 H new ATOM 0 HE ARG A 518 18.888 20.585 7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 518 22.080 22.095 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 518 22.840 20.763 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.925 18.973 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 518 21.668 19.066 6.297 1.00 0.00 H new ATOM 753 N ASP A 519 15.617 23.995 11.172 1.00 0.00 N ATOM 754 CA ASP A 519 14.683 25.072 10.839 1.00 0.00 C ATOM 755 C ASP A 519 14.966 25.732 9.467 1.00 0.00 C ATOM 756 O ASP A 519 16.089 25.653 8.955 1.00 0.00 O ATOM 757 CB ASP A 519 14.746 26.113 11.966 1.00 0.00 C ATOM 758 CG ASP A 519 16.185 26.574 12.216 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.648 27.505 11.516 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.839 25.968 13.095 1.00 0.00 O ATOM 0 H ASP A 519 16.293 24.283 11.880 1.00 0.00 H new ATOM 0 HA ASP A 519 13.684 24.645 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 519 14.126 26.971 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.334 25.687 12.881 1.00 0.00 H new ATOM 765 N PRO A 520 13.967 26.416 8.869 1.00 0.00 N ATOM 766 CA PRO A 520 14.109 27.077 7.567 1.00 0.00 C ATOM 767 C PRO A 520 15.009 28.329 7.566 1.00 0.00 C ATOM 768 O PRO A 520 15.369 28.809 6.487 1.00 0.00 O ATOM 769 CB PRO A 520 12.678 27.408 7.127 1.00 0.00 C ATOM 770 CG PRO A 520 11.913 27.544 8.440 1.00 0.00 C ATOM 771 CD PRO A 520 12.580 26.491 9.318 1.00 0.00 C ATOM 0 HA PRO A 520 14.624 26.411 6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.642 28.330 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 520 12.260 26.620 6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 520 12.007 28.544 8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.848 27.351 8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.525 26.768 10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 520 12.084 25.526 9.216 1.00 0.00 H new ATOM 779 N ALA A 521 15.404 28.858 8.732 1.00 0.00 N ATOM 780 CA ALA A 521 16.395 29.940 8.830 1.00 0.00 C ATOM 781 C ALA A 521 17.836 29.447 8.570 1.00 0.00 C ATOM 782 O ALA A 521 18.720 30.252 8.256 1.00 0.00 O ATOM 783 CB ALA A 521 16.294 30.619 10.204 1.00 0.00 C ATOM 0 H ALA A 521 15.045 28.548 9.635 1.00 0.00 H new ATOM 0 HA ALA A 521 16.167 30.665 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 521 17.031 31.419 10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 521 15.295 31.035 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.485 29.885 10.987 1.00 0.00 H new ATOM 789 N GLY A 522 18.077 28.135 8.692 1.00 0.00 N ATOM 790 CA GLY A 522 19.362 27.483 8.423 1.00 0.00 C ATOM 791 C GLY A 522 20.146 27.089 9.682 1.00 0.00 C ATOM 792 O GLY A 522 21.314 26.702 9.572 1.00 0.00 O ATOM 0 H GLY A 522 17.357 27.477 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 522 19.184 26.589 7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.977 28.152 7.821 1.00 0.00 H new ATOM 796 N GLN A 523 19.538 27.204 10.867 1.00 0.00 N ATOM 797 CA GLN A 523 20.126 26.801 12.149 1.00 0.00 C ATOM 798 C GLN A 523 19.768 25.330 12.481 1.00 0.00 C ATOM 799 O GLN A 523 19.214 24.601 11.651 1.00 0.00 O ATOM 800 CB GLN A 523 19.709 27.787 13.267 1.00 0.00 C ATOM 801 CG GLN A 523 19.788 29.273 12.856 1.00 0.00 C ATOM 802 CD GLN A 523 19.746 30.244 14.041 1.00 0.00 C ATOM 803 OE1 GLN A 523 19.325 29.932 15.150 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.189 31.472 13.854 1.00 0.00 N ATOM 0 H GLN A 523 18.599 27.590 10.964 1.00 0.00 H new ATOM 0 HA GLN A 523 21.212 26.846 12.074 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.689 27.560 13.575 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.348 27.627 14.136 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.708 29.437 12.296 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.961 29.499 12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 523 20.544 31.753 12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 523 20.177 32.141 14.624 1.00 0.00 H new ATOM 813 N GLU A 524 20.116 24.863 13.682 1.00 0.00 N ATOM 814 CA GLU A 524 19.768 23.529 14.196 1.00 0.00 C ATOM 815 C GLU A 524 19.485 23.591 15.710 1.00 0.00 C ATOM 816 O GLU A 524 19.999 24.472 16.411 1.00 0.00 O ATOM 817 CB GLU A 524 20.930 22.543 13.960 1.00 0.00 C ATOM 818 CG GLU A 524 21.312 22.284 12.490 1.00 0.00 C ATOM 819 CD GLU A 524 22.569 21.394 12.346 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.314 21.184 13.336 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.837 20.914 11.218 1.00 0.00 O ATOM 0 H GLU A 524 20.662 25.414 14.344 1.00 0.00 H new ATOM 0 HA GLU A 524 18.878 23.190 13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.810 22.919 14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.670 21.590 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.475 21.808 11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.488 23.237 11.992 1.00 0.00 H new ATOM 828 N GLY A 525 18.729 22.625 16.244 1.00 0.00 N ATOM 829 CA GLY A 525 18.539 22.467 17.688 1.00 0.00 C ATOM 830 C GLY A 525 17.920 21.126 18.092 1.00 0.00 C ATOM 831 O GLY A 525 17.414 20.373 17.255 1.00 0.00 O ATOM 0 H GLY A 525 18.232 21.931 15.686 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.503 22.575 18.185 1.00 0.00 H new ATOM 0 HA3 GLY A 525 17.902 23.274 18.051 1.00 0.00 H new ATOM 835 N TYR A 526 17.959 20.853 19.398 1.00 0.00 N ATOM 836 CA TYR A 526 17.364 19.665 20.022 1.00 0.00 C ATOM 837 C TYR A 526 16.010 19.985 20.674 1.00 0.00 C ATOM 838 O TYR A 526 15.851 21.031 21.311 1.00 0.00 O ATOM 839 CB TYR A 526 18.339 19.108 21.067 1.00 0.00 C ATOM 840 CG TYR A 526 19.563 18.441 20.465 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.479 17.107 20.017 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.777 19.144 20.345 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.607 16.471 19.467 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.906 18.515 19.782 1.00 0.00 C ATOM 845 CZ TYR A 526 21.825 17.175 19.346 1.00 0.00 C ATOM 846 OH TYR A 526 22.921 16.568 18.813 1.00 0.00 O ATOM 0 H TYR A 526 18.417 21.468 20.071 1.00 0.00 H new ATOM 0 HA TYR A 526 17.182 18.920 19.247 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.662 19.920 21.719 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.814 18.387 21.693 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.545 16.571 20.096 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.843 20.167 20.685 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.541 15.445 19.137 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.834 19.059 19.684 1.00 0.00 H new ATOM 0 HH TYR A 526 23.672 17.198 18.804 1.00 0.00 H new ATOM 856 N VAL A 527 15.053 19.059 20.545 1.00 0.00 N ATOM 857 CA VAL A 527 13.680 19.142 21.091 1.00 0.00 C ATOM 858 C VAL A 527 13.129 17.739 21.414 1.00 0.00 C ATOM 859 O VAL A 527 13.534 16.768 20.770 1.00 0.00 O ATOM 860 CB VAL A 527 12.703 19.844 20.115 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.868 21.366 20.132 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.810 19.358 18.663 1.00 0.00 C ATOM 0 H VAL A 527 15.215 18.190 20.036 1.00 0.00 H new ATOM 0 HA VAL A 527 13.750 19.735 22.003 1.00 0.00 H new ATOM 0 HB VAL A 527 11.716 19.570 20.487 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.163 21.816 19.433 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.673 21.742 21.136 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.885 21.625 19.839 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.093 19.899 18.045 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.819 19.539 18.292 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.594 18.290 18.620 1.00 0.00 H new ATOM 872 N PRO A 528 12.208 17.588 22.389 1.00 0.00 N ATOM 873 CA PRO A 528 11.653 16.282 22.741 1.00 0.00 C ATOM 874 C PRO A 528 10.734 15.738 21.632 1.00 0.00 C ATOM 875 O PRO A 528 9.885 16.455 21.105 1.00 0.00 O ATOM 876 CB PRO A 528 10.897 16.504 24.058 1.00 0.00 C ATOM 877 CG PRO A 528 10.512 17.985 24.023 1.00 0.00 C ATOM 878 CD PRO A 528 11.658 18.631 23.247 1.00 0.00 C ATOM 0 HA PRO A 528 12.433 15.529 22.854 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.017 15.865 24.125 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.523 16.275 24.920 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.554 18.139 23.527 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.422 18.401 25.027 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.301 19.474 22.655 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.418 19.018 23.926 1.00 0.00 H new ATOM 886 N TYR A 529 10.839 14.447 21.309 1.00 0.00 N ATOM 887 CA TYR A 529 9.971 13.785 20.326 1.00 0.00 C ATOM 888 C TYR A 529 8.477 13.769 20.713 1.00 0.00 C ATOM 889 O TYR A 529 7.627 13.585 19.843 1.00 0.00 O ATOM 890 CB TYR A 529 10.474 12.363 20.036 1.00 0.00 C ATOM 891 CG TYR A 529 9.964 11.292 20.989 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.419 11.257 22.321 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.008 10.351 20.555 1.00 0.00 C ATOM 894 CE1 TYR A 529 9.941 10.279 23.215 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.522 9.375 21.445 1.00 0.00 C ATOM 896 CZ TYR A 529 8.990 9.331 22.777 1.00 0.00 C ATOM 897 OH TYR A 529 8.526 8.376 23.628 1.00 0.00 O ATOM 0 H TYR A 529 11.533 13.825 21.724 1.00 0.00 H new ATOM 0 HA TYR A 529 10.033 14.387 19.419 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.185 12.092 19.021 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.564 12.366 20.067 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.140 11.986 22.660 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.648 10.379 19.537 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.301 10.254 24.233 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.789 8.657 21.108 1.00 0.00 H new ATOM 0 HH TYR A 529 7.877 7.809 23.161 1.00 0.00 H new ATOM 907 N ASN A 530 8.142 13.981 21.996 1.00 0.00 N ATOM 908 CA ASN A 530 6.768 13.986 22.505 1.00 0.00 C ATOM 909 C ASN A 530 5.886 15.103 21.894 1.00 0.00 C ATOM 910 O ASN A 530 4.690 14.891 21.678 1.00 0.00 O ATOM 911 CB ASN A 530 6.830 14.104 24.039 1.00 0.00 C ATOM 912 CG ASN A 530 5.452 13.986 24.674 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.816 12.941 24.639 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.942 15.044 25.267 1.00 0.00 N ATOM 0 H ASN A 530 8.837 14.157 22.721 1.00 0.00 H new ATOM 0 HA ASN A 530 6.289 13.054 22.206 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.481 13.325 24.437 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.275 15.061 24.312 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.018 14.992 25.696 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.470 15.916 25.297 1.00 0.00 H new ATOM 921 N ILE A 531 6.464 16.281 21.602 1.00 0.00 N ATOM 922 CA ILE A 531 5.749 17.399 20.948 1.00 0.00 C ATOM 923 C ILE A 531 5.774 17.318 19.415 1.00 0.00 C ATOM 924 O ILE A 531 4.983 17.990 18.751 1.00 0.00 O ATOM 925 CB ILE A 531 6.276 18.777 21.412 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.741 19.021 20.986 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.079 18.926 22.931 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.280 20.404 21.342 1.00 0.00 C ATOM 0 H ILE A 531 7.440 16.488 21.812 1.00 0.00 H new ATOM 0 HA ILE A 531 4.711 17.297 21.265 1.00 0.00 H new ATOM 0 HB ILE A 531 5.693 19.551 20.912 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.373 18.267 21.454 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.821 18.880 19.908 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.452 19.898 23.253 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.018 18.847 23.170 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.627 18.138 23.448 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.314 20.489 21.007 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.676 21.167 20.852 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.236 20.545 22.422 1.00 0.00 H new ATOM 940 N LEU A 532 6.676 16.515 18.843 1.00 0.00 N ATOM 941 CA LEU A 532 6.740 16.236 17.409 1.00 0.00 C ATOM 942 C LEU A 532 5.691 15.174 17.025 1.00 0.00 C ATOM 943 O LEU A 532 5.325 14.312 17.829 1.00 0.00 O ATOM 944 CB LEU A 532 8.165 15.764 17.038 1.00 0.00 C ATOM 945 CG LEU A 532 9.301 16.739 17.413 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.654 16.155 17.004 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.139 18.102 16.740 1.00 0.00 C ATOM 0 H LEU A 532 7.397 16.031 19.378 1.00 0.00 H new ATOM 0 HA LEU A 532 6.517 17.146 16.852 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.352 14.808 17.527 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.202 15.585 15.964 1.00 0.00 H new ATOM 0 HG LEU A 532 9.253 16.878 18.493 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.448 16.852 17.274 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.812 15.208 17.520 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.668 15.989 15.927 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.962 18.753 17.034 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.145 17.976 15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.194 18.550 17.048 1.00 0.00 H new ATOM 959 N THR A 533 5.257 15.197 15.766 1.00 0.00 N ATOM 960 CA THR A 533 4.444 14.135 15.148 1.00 0.00 C ATOM 961 C THR A 533 4.859 13.939 13.683 1.00 0.00 C ATOM 962 O THR A 533 5.391 14.874 13.076 1.00 0.00 O ATOM 963 CB THR A 533 2.919 14.398 15.248 1.00 0.00 C ATOM 964 OG1 THR A 533 2.545 15.764 15.203 1.00 0.00 O ATOM 965 CG2 THR A 533 2.338 13.847 16.554 1.00 0.00 C ATOM 0 H THR A 533 5.461 15.967 15.129 1.00 0.00 H new ATOM 0 HA THR A 533 4.637 13.222 15.711 1.00 0.00 H new ATOM 0 HB THR A 533 2.523 13.892 14.368 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.231 16.275 14.725 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.268 14.049 16.590 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.506 12.771 16.601 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.827 14.328 17.401 1.00 0.00 H new ATOM 973 N PRO A 534 4.633 12.751 13.087 1.00 0.00 N ATOM 974 CA PRO A 534 4.900 12.526 11.668 1.00 0.00 C ATOM 975 C PRO A 534 4.038 13.442 10.783 1.00 0.00 C ATOM 976 O PRO A 534 3.021 13.987 11.225 1.00 0.00 O ATOM 977 CB PRO A 534 4.612 11.037 11.424 1.00 0.00 C ATOM 978 CG PRO A 534 3.611 10.677 12.523 1.00 0.00 C ATOM 979 CD PRO A 534 4.058 11.555 13.691 1.00 0.00 C ATOM 0 HA PRO A 534 5.930 12.769 11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.195 10.867 10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.519 10.437 11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.586 10.894 12.223 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.651 9.617 12.775 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.216 11.808 14.336 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.791 11.039 14.311 1.00 0.00 H new ATOM 987 N TYR A 535 4.417 13.564 9.508 1.00 0.00 N ATOM 988 CA TYR A 535 3.696 14.357 8.506 1.00 0.00 C ATOM 989 C TYR A 535 3.213 13.471 7.335 1.00 0.00 C ATOM 990 O TYR A 535 3.822 13.467 6.259 1.00 0.00 O ATOM 991 CB TYR A 535 4.543 15.573 8.088 1.00 0.00 C ATOM 992 CG TYR A 535 3.839 16.537 7.143 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.514 16.954 7.396 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.514 17.024 6.006 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.863 17.834 6.511 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.867 17.907 5.119 1.00 0.00 C ATOM 997 CZ TYR A 535 2.537 18.310 5.365 1.00 0.00 C ATOM 998 OH TYR A 535 1.915 19.160 4.502 1.00 0.00 O ATOM 0 H TYR A 535 5.249 13.106 9.135 1.00 0.00 H new ATOM 0 HA TYR A 535 2.782 14.763 8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.843 16.116 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.456 15.217 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.997 16.596 8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.532 16.719 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.848 18.145 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.390 18.276 4.249 1.00 0.00 H new ATOM 0 HH TYR A 535 2.525 19.387 3.770 1.00 0.00 H new