USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot 150:sc=-0.00125 USER MOD Single : A 486 ASN : amide:sc= -0.278 K(o=-0.28,f=-4.1!) 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 493 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.065) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.00887 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000356) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.0594 K(o=-0.059,f=-0.75) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.074 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.377 2.301 7.595 1.00 0.00 N ATOM 75 CA LYS A 481 14.020 1.300 8.619 1.00 0.00 C ATOM 76 C LYS A 481 12.844 1.797 9.466 1.00 0.00 C ATOM 77 O LYS A 481 12.346 2.911 9.281 1.00 0.00 O ATOM 78 CB LYS A 481 15.246 1.007 9.525 1.00 0.00 C ATOM 79 CG LYS A 481 15.366 -0.482 9.915 1.00 0.00 C ATOM 80 CD LYS A 481 16.151 -1.324 8.893 1.00 0.00 C ATOM 81 CE LYS A 481 17.660 -1.025 8.867 1.00 0.00 C ATOM 82 NZ LYS A 481 18.357 -1.522 10.088 1.00 0.00 N ATOM 0 HA LYS A 481 13.721 0.379 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.155 1.316 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.174 1.609 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.854 -0.557 10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.366 -0.901 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 481 16.004 -2.380 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 481 15.739 -1.149 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 481 18.104 -1.486 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.813 0.050 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 19.371 -1.298 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.953 -1.064 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 18.235 -2.552 10.163 1.00 0.00 H new ATOM 96 N TRP A 482 12.442 0.979 10.429 1.00 0.00 N ATOM 97 CA TRP A 482 11.480 1.323 11.472 1.00 0.00 C ATOM 98 C TRP A 482 12.203 1.798 12.739 1.00 0.00 C ATOM 99 O TRP A 482 13.173 1.173 13.185 1.00 0.00 O ATOM 100 CB TRP A 482 10.601 0.094 11.766 1.00 0.00 C ATOM 101 CG TRP A 482 10.380 -0.844 10.617 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.674 -2.164 10.603 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.922 -0.522 9.270 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.443 -2.676 9.340 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.991 -1.704 8.473 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.507 0.667 8.633 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.661 -1.707 7.109 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.189 0.675 7.264 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.259 -0.505 6.501 1.00 0.00 C ATOM 0 H TRP A 482 12.788 0.023 10.510 1.00 0.00 H new ATOM 0 HA TRP A 482 10.848 2.142 11.130 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.055 -0.465 12.584 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.630 0.442 12.118 1.00 0.00 H new ATOM 0 HD1 TRP A 482 11.034 -2.731 11.449 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.589 -3.652 9.082 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.433 1.581 9.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.715 -2.620 6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 8.887 1.598 6.792 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.005 -0.487 5.452 1.00 0.00 H new ATOM 120 N VAL A 483 11.714 2.881 13.344 1.00 0.00 N ATOM 121 CA VAL A 483 12.245 3.444 14.597 1.00 0.00 C ATOM 122 C VAL A 483 11.121 3.861 15.544 1.00 0.00 C ATOM 123 O VAL A 483 10.126 4.452 15.125 1.00 0.00 O ATOM 124 CB VAL A 483 13.191 4.636 14.340 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.515 4.187 13.722 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.597 5.717 13.424 1.00 0.00 C ATOM 0 H VAL A 483 10.922 3.406 12.973 1.00 0.00 H new ATOM 0 HA VAL A 483 12.823 2.651 15.072 1.00 0.00 H new ATOM 0 HB VAL A 483 13.349 5.066 15.329 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.152 5.056 13.557 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.015 3.493 14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.323 3.692 12.770 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.322 6.520 13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.358 5.281 12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.689 6.118 13.875 1.00 0.00 H new ATOM 136 N LEU A 484 11.287 3.537 16.828 1.00 0.00 N ATOM 137 CA LEU A 484 10.379 3.918 17.915 1.00 0.00 C ATOM 138 C LEU A 484 10.748 5.305 18.461 1.00 0.00 C ATOM 139 O LEU A 484 11.927 5.606 18.674 1.00 0.00 O ATOM 140 CB LEU A 484 10.512 2.842 19.012 1.00 0.00 C ATOM 141 CG LEU A 484 9.586 2.980 20.231 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.116 2.967 19.826 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.817 1.809 21.184 1.00 0.00 C ATOM 0 H LEU A 484 12.081 2.985 17.151 1.00 0.00 H new ATOM 0 HA LEU A 484 9.350 3.977 17.561 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.332 1.868 18.557 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.543 2.843 19.366 1.00 0.00 H new ATOM 0 HG LEU A 484 9.817 3.932 20.709 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.493 3.067 20.715 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.918 3.798 19.149 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.885 2.027 19.324 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.160 1.908 22.048 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.601 0.873 20.669 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.855 1.809 21.516 1.00 0.00 H new ATOM 155 N CYS A 485 9.739 6.129 18.742 1.00 0.00 N ATOM 156 CA CYS A 485 9.889 7.391 19.460 1.00 0.00 C ATOM 157 C CYS A 485 10.052 7.146 20.969 1.00 0.00 C ATOM 158 O CYS A 485 9.108 6.728 21.644 1.00 0.00 O ATOM 159 CB CYS A 485 8.674 8.278 19.163 1.00 0.00 C ATOM 160 SG CYS A 485 8.961 9.163 17.611 1.00 0.00 S ATOM 0 H CYS A 485 8.776 5.932 18.471 1.00 0.00 H new ATOM 0 HA CYS A 485 10.791 7.900 19.122 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.772 7.670 19.089 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.516 8.986 19.977 1.00 0.00 H new ATOM 0 HG CYS A 485 7.824 9.385 17.021 1.00 0.00 H new ATOM 166 N ASN A 486 11.239 7.428 21.510 1.00 0.00 N ATOM 167 CA ASN A 486 11.531 7.400 22.945 1.00 0.00 C ATOM 168 C ASN A 486 10.786 8.502 23.739 1.00 0.00 C ATOM 169 O ASN A 486 10.410 8.289 24.893 1.00 0.00 O ATOM 170 CB ASN A 486 13.043 7.600 23.142 1.00 0.00 C ATOM 171 CG ASN A 486 13.876 6.510 22.506 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.574 6.716 21.526 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.822 5.313 23.041 1.00 0.00 N ATOM 0 H ASN A 486 12.047 7.690 20.945 1.00 0.00 H new ATOM 0 HA ASN A 486 11.192 6.436 23.325 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.333 8.563 22.721 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.262 7.640 24.209 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.365 4.549 22.638 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.237 5.146 23.860 1.00 0.00 H new ATOM 180 N TYR A 487 10.582 9.673 23.115 1.00 0.00 N ATOM 181 CA TYR A 487 10.028 10.905 23.708 1.00 0.00 C ATOM 182 C TYR A 487 9.093 11.627 22.716 1.00 0.00 C ATOM 183 O TYR A 487 9.100 11.338 21.517 1.00 0.00 O ATOM 184 CB TYR A 487 11.164 11.857 24.124 1.00 0.00 C ATOM 185 CG TYR A 487 12.223 11.260 25.033 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.977 11.103 26.411 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.463 10.866 24.494 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.964 10.538 27.243 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.451 10.297 25.318 1.00 0.00 C ATOM 190 CZ TYR A 487 14.202 10.129 26.699 1.00 0.00 C ATOM 191 OH TYR A 487 15.147 9.579 27.509 1.00 0.00 O ATOM 0 H TYR A 487 10.811 9.794 22.129 1.00 0.00 H new ATOM 0 HA TYR A 487 9.452 10.620 24.588 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.652 12.227 23.222 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.725 12.720 24.626 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.032 11.416 26.830 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.657 11.002 23.440 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.774 10.417 28.299 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.397 9.990 24.897 1.00 0.00 H new ATOM 0 HH TYR A 487 15.939 9.351 26.979 1.00 0.00 H new ATOM 201 N ASP A 488 8.291 12.575 23.208 1.00 0.00 N ATOM 202 CA ASP A 488 7.426 13.435 22.387 1.00 0.00 C ATOM 203 C ASP A 488 8.122 14.734 21.913 1.00 0.00 C ATOM 204 O ASP A 488 9.089 15.203 22.524 1.00 0.00 O ATOM 205 CB ASP A 488 6.137 13.761 23.158 1.00 0.00 C ATOM 206 CG ASP A 488 6.378 14.680 24.369 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.796 14.175 25.440 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.123 15.904 24.262 1.00 0.00 O ATOM 0 H ASP A 488 8.221 12.772 24.206 1.00 0.00 H new ATOM 0 HA ASP A 488 7.187 12.876 21.483 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.427 14.238 22.483 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.679 12.832 23.499 1.00 0.00 H new ATOM 213 N PHE A 489 7.613 15.319 20.823 1.00 0.00 N ATOM 214 CA PHE A 489 8.131 16.522 20.156 1.00 0.00 C ATOM 215 C PHE A 489 7.044 17.206 19.295 1.00 0.00 C ATOM 216 O PHE A 489 6.088 16.561 18.863 1.00 0.00 O ATOM 217 CB PHE A 489 9.313 16.085 19.270 1.00 0.00 C ATOM 218 CG PHE A 489 10.052 17.204 18.556 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.641 18.252 19.292 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.139 17.201 17.150 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.296 19.301 18.619 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.808 18.242 16.479 1.00 0.00 C ATOM 223 CZ PHE A 489 11.388 19.288 17.217 1.00 0.00 C ATOM 0 H PHE A 489 6.785 14.948 20.357 1.00 0.00 H new ATOM 0 HA PHE A 489 8.449 17.249 20.903 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.026 15.542 19.890 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.942 15.384 18.522 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.590 18.250 20.371 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.691 16.397 16.585 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.728 20.116 19.181 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.875 18.237 15.401 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.906 20.085 16.705 1.00 0.00 H new ATOM 233 N GLN A 490 7.200 18.498 18.987 1.00 0.00 N ATOM 234 CA GLN A 490 6.271 19.261 18.136 1.00 0.00 C ATOM 235 C GLN A 490 7.018 20.076 17.074 1.00 0.00 C ATOM 236 O GLN A 490 8.051 20.684 17.358 1.00 0.00 O ATOM 237 CB GLN A 490 5.392 20.194 18.986 1.00 0.00 C ATOM 238 CG GLN A 490 4.377 19.426 19.842 1.00 0.00 C ATOM 239 CD GLN A 490 3.406 20.364 20.559 1.00 0.00 C ATOM 240 OE1 GLN A 490 3.791 21.278 21.282 1.00 0.00 O ATOM 241 NE2 GLN A 490 2.111 20.192 20.389 1.00 0.00 N ATOM 0 H GLN A 490 7.985 19.054 19.325 1.00 0.00 H new ATOM 0 HA GLN A 490 5.634 18.538 17.626 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.028 20.796 19.635 1.00 0.00 H new ATOM 0 HB3 GLN A 490 4.861 20.885 18.331 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.816 18.738 19.209 1.00 0.00 H new ATOM 0 HG3 GLN A 490 4.907 18.822 20.578 1.00 0.00 H new ATOM 0 HE21 GLN A 490 1.771 19.438 19.792 1.00 0.00 H new ATOM 0 HE22 GLN A 490 1.449 20.813 20.854 1.00 0.00 H new ATOM 250 N ALA A 491 6.463 20.119 15.857 1.00 0.00 N ATOM 251 CA ALA A 491 7.051 20.850 14.736 1.00 0.00 C ATOM 252 C ALA A 491 6.948 22.365 14.951 1.00 0.00 C ATOM 253 O ALA A 491 5.856 22.943 14.892 1.00 0.00 O ATOM 254 CB ALA A 491 6.368 20.452 13.423 1.00 0.00 C ATOM 0 H ALA A 491 5.590 19.645 15.625 1.00 0.00 H new ATOM 0 HA ALA A 491 8.107 20.587 14.678 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.817 21.005 12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.496 19.383 13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.305 20.685 13.481 1.00 0.00 H new ATOM 260 N ARG A 492 8.089 23.022 15.170 1.00 0.00 N ATOM 261 CA ARG A 492 8.176 24.486 15.244 1.00 0.00 C ATOM 262 C ARG A 492 8.221 25.142 13.851 1.00 0.00 C ATOM 263 O ARG A 492 8.000 26.351 13.750 1.00 0.00 O ATOM 264 CB ARG A 492 9.380 24.909 16.112 1.00 0.00 C ATOM 265 CG ARG A 492 9.570 24.164 17.453 1.00 0.00 C ATOM 266 CD ARG A 492 8.315 23.984 18.321 1.00 0.00 C ATOM 267 NE ARG A 492 7.642 25.260 18.643 1.00 0.00 N ATOM 268 CZ ARG A 492 7.959 26.111 19.606 1.00 0.00 C ATOM 269 NH1 ARG A 492 8.972 25.922 20.405 1.00 0.00 N ATOM 270 NH2 ARG A 492 7.250 27.188 19.787 1.00 0.00 N ATOM 0 H ARG A 492 8.985 22.553 15.302 1.00 0.00 H new ATOM 0 HA ARG A 492 7.265 24.847 15.721 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.287 24.780 15.521 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.287 25.974 16.325 1.00 0.00 H new ATOM 0 HG2 ARG A 492 9.982 23.178 17.240 1.00 0.00 H new ATOM 0 HG3 ARG A 492 10.316 24.701 18.039 1.00 0.00 H new ATOM 0 HD2 ARG A 492 7.613 23.331 17.802 1.00 0.00 H new ATOM 0 HD3 ARG A 492 8.591 23.482 19.248 1.00 0.00 H new ATOM 0 HE ARG A 492 6.845 25.513 18.058 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.556 25.092 20.301 1.00 0.00 H new ATOM 0 HH12 ARG A 492 9.181 26.604 21.134 1.00 0.00 H new ATOM 0 HH21 ARG A 492 6.448 27.378 19.186 1.00 0.00 H new ATOM 0 HH22 ARG A 492 7.497 27.842 20.530 1.00 0.00 H new ATOM 284 N ASN A 493 8.480 24.367 12.785 1.00 0.00 N ATOM 285 CA ASN A 493 8.640 24.847 11.397 1.00 0.00 C ATOM 286 C ASN A 493 8.262 23.772 10.351 1.00 0.00 C ATOM 287 O ASN A 493 8.130 22.593 10.678 1.00 0.00 O ATOM 288 CB ASN A 493 10.113 25.274 11.192 1.00 0.00 C ATOM 289 CG ASN A 493 10.469 26.586 11.870 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.047 27.653 11.442 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.260 26.556 12.918 1.00 0.00 N ATOM 0 H ASN A 493 8.588 23.356 12.865 1.00 0.00 H new ATOM 0 HA ASN A 493 7.962 25.688 11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.766 24.489 11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.311 25.362 10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.527 27.425 13.381 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.608 25.664 13.269 1.00 0.00 H new ATOM 298 N SER A 494 8.158 24.158 9.070 1.00 0.00 N ATOM 299 CA SER A 494 7.923 23.227 7.942 1.00 0.00 C ATOM 300 C SER A 494 9.075 22.240 7.683 1.00 0.00 C ATOM 301 O SER A 494 8.869 21.191 7.069 1.00 0.00 O ATOM 302 CB SER A 494 7.667 23.992 6.640 1.00 0.00 C ATOM 303 OG SER A 494 6.575 24.888 6.784 1.00 0.00 O ATOM 0 H SER A 494 8.235 25.133 8.779 1.00 0.00 H new ATOM 0 HA SER A 494 7.048 22.652 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.562 24.546 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.460 23.287 5.834 1.00 0.00 H new ATOM 0 HG SER A 494 6.431 25.367 5.941 1.00 0.00 H new ATOM 309 N SER A 495 10.289 22.560 8.151 1.00 0.00 N ATOM 310 CA SER A 495 11.479 21.691 8.102 1.00 0.00 C ATOM 311 C SER A 495 11.421 20.474 9.030 1.00 0.00 C ATOM 312 O SER A 495 12.233 19.558 8.913 1.00 0.00 O ATOM 313 CB SER A 495 12.719 22.522 8.453 1.00 0.00 C ATOM 314 OG SER A 495 12.532 23.225 9.673 1.00 0.00 O ATOM 0 H SER A 495 10.479 23.461 8.590 1.00 0.00 H new ATOM 0 HA SER A 495 11.522 21.297 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.588 21.869 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.927 23.229 7.650 1.00 0.00 H new ATOM 0 HG SER A 495 13.336 23.746 9.877 1.00 0.00 H new ATOM 320 N GLU A 496 10.465 20.444 9.949 1.00 0.00 N ATOM 321 CA GLU A 496 10.369 19.480 11.041 1.00 0.00 C ATOM 322 C GLU A 496 8.949 18.912 11.172 1.00 0.00 C ATOM 323 O GLU A 496 8.024 19.282 10.442 1.00 0.00 O ATOM 324 CB GLU A 496 10.889 20.108 12.353 1.00 0.00 C ATOM 325 CG GLU A 496 10.302 21.485 12.668 1.00 0.00 C ATOM 326 CD GLU A 496 10.991 22.113 13.889 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.620 21.755 15.026 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.865 22.998 13.713 1.00 0.00 O ATOM 0 H GLU A 496 9.701 21.120 9.955 1.00 0.00 H new ATOM 0 HA GLU A 496 11.009 18.627 10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.665 19.433 13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.974 20.193 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.418 22.140 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.232 21.393 12.857 1.00 0.00 H new ATOM 335 N LEU A 497 8.803 17.968 12.099 1.00 0.00 N ATOM 336 CA LEU A 497 7.580 17.187 12.316 1.00 0.00 C ATOM 337 C LEU A 497 7.208 17.016 13.798 1.00 0.00 C ATOM 338 O LEU A 497 8.052 17.075 14.691 1.00 0.00 O ATOM 339 CB LEU A 497 7.730 15.795 11.674 1.00 0.00 C ATOM 340 CG LEU A 497 7.705 15.737 10.141 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.925 14.283 9.730 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.379 16.209 9.540 1.00 0.00 C ATOM 0 H LEU A 497 9.554 17.715 12.741 1.00 0.00 H new ATOM 0 HA LEU A 497 6.773 17.752 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.670 15.362 12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.930 15.158 12.052 1.00 0.00 H new ATOM 0 HG LEU A 497 8.483 16.404 9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.913 14.206 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.888 13.940 10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.131 13.663 10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.428 16.143 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.569 15.578 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 497 6.194 17.243 9.833 1.00 0.00 H new ATOM 354 N SER A 498 5.914 16.782 14.033 1.00 0.00 N ATOM 355 CA SER A 498 5.311 16.551 15.351 1.00 0.00 C ATOM 356 C SER A 498 5.094 15.051 15.559 1.00 0.00 C ATOM 357 O SER A 498 4.424 14.400 14.751 1.00 0.00 O ATOM 358 CB SER A 498 3.977 17.308 15.420 1.00 0.00 C ATOM 359 OG SER A 498 3.489 17.351 16.747 1.00 0.00 O ATOM 0 H SER A 498 5.228 16.747 13.279 1.00 0.00 H new ATOM 0 HA SER A 498 5.970 16.914 16.139 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.110 18.322 15.044 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.245 16.822 14.775 1.00 0.00 H new ATOM 0 HG SER A 498 2.640 17.839 16.768 1.00 0.00 H new ATOM 365 N VAL A 499 5.679 14.490 16.622 1.00 0.00 N ATOM 366 CA VAL A 499 5.662 13.053 16.941 1.00 0.00 C ATOM 367 C VAL A 499 5.532 12.855 18.451 1.00 0.00 C ATOM 368 O VAL A 499 5.864 13.732 19.246 1.00 0.00 O ATOM 369 CB VAL A 499 6.905 12.303 16.401 1.00 0.00 C ATOM 370 CG1 VAL A 499 7.090 12.480 14.888 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.226 12.680 17.084 1.00 0.00 C ATOM 0 H VAL A 499 6.195 15.039 17.309 1.00 0.00 H new ATOM 0 HA VAL A 499 4.796 12.622 16.439 1.00 0.00 H new ATOM 0 HB VAL A 499 6.684 11.262 16.638 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.976 11.934 14.563 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.214 12.094 14.367 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.212 13.538 14.658 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.041 12.106 16.642 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.416 13.745 16.947 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.161 12.457 18.149 1.00 0.00 H new ATOM 381 N LYS A 500 5.081 11.677 18.873 1.00 0.00 N ATOM 382 CA LYS A 500 4.840 11.344 20.286 1.00 0.00 C ATOM 383 C LYS A 500 5.511 10.024 20.650 1.00 0.00 C ATOM 384 O LYS A 500 5.707 9.163 19.794 1.00 0.00 O ATOM 385 CB LYS A 500 3.332 11.389 20.589 1.00 0.00 C ATOM 386 CG LYS A 500 2.510 10.404 19.747 1.00 0.00 C ATOM 387 CD LYS A 500 1.000 10.548 19.997 1.00 0.00 C ATOM 388 CE LYS A 500 0.390 11.793 19.332 1.00 0.00 C ATOM 389 NZ LYS A 500 0.275 11.640 17.853 1.00 0.00 N ATOM 0 H LYS A 500 4.867 10.909 18.237 1.00 0.00 H new ATOM 0 HA LYS A 500 5.302 12.093 20.930 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.175 11.171 21.645 1.00 0.00 H new ATOM 0 HB3 LYS A 500 2.964 12.400 20.414 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.719 10.569 18.690 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.819 9.385 19.978 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.491 9.659 19.625 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.819 10.593 21.071 1.00 0.00 H new ATOM 0 HE2 LYS A 500 -0.597 11.982 19.754 1.00 0.00 H new ATOM 0 HE3 LYS A 500 1.006 12.663 19.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.156 12.495 17.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 1.221 11.502 17.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -0.320 10.815 17.635 1.00 0.00 H new ATOM 403 N GLN A 501 5.901 9.877 21.915 1.00 0.00 N ATOM 404 CA GLN A 501 6.508 8.641 22.413 1.00 0.00 C ATOM 405 C GLN A 501 5.599 7.421 22.195 1.00 0.00 C ATOM 406 O GLN A 501 4.369 7.536 22.223 1.00 0.00 O ATOM 407 CB GLN A 501 6.954 8.782 23.876 1.00 0.00 C ATOM 408 CG GLN A 501 5.887 9.337 24.834 1.00 0.00 C ATOM 409 CD GLN A 501 6.299 9.175 26.300 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.352 8.077 26.840 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.601 10.248 27.006 1.00 0.00 N ATOM 0 H GLN A 501 5.806 10.607 22.622 1.00 0.00 H new ATOM 0 HA GLN A 501 7.406 8.463 21.822 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.272 7.804 24.238 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.827 9.434 23.912 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.718 10.392 24.618 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.942 8.822 24.663 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.562 11.171 26.573 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.873 10.155 27.985 1.00 0.00 H new ATOM 420 N ARG A 502 6.230 6.253 21.996 1.00 0.00 N ATOM 421 CA ARG A 502 5.593 4.948 21.718 1.00 0.00 C ATOM 422 C ARG A 502 4.988 4.819 20.307 1.00 0.00 C ATOM 423 O ARG A 502 4.231 3.882 20.046 1.00 0.00 O ATOM 424 CB ARG A 502 4.577 4.544 22.813 1.00 0.00 C ATOM 425 CG ARG A 502 5.049 4.721 24.269 1.00 0.00 C ATOM 426 CD ARG A 502 6.284 3.886 24.624 1.00 0.00 C ATOM 427 NE ARG A 502 6.017 2.438 24.499 1.00 0.00 N ATOM 428 CZ ARG A 502 6.899 1.460 24.585 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.162 1.682 24.824 1.00 0.00 N ATOM 430 NH2 ARG A 502 6.523 0.222 24.430 1.00 0.00 N ATOM 0 H ARG A 502 7.247 6.186 22.025 1.00 0.00 H new ATOM 0 HA ARG A 502 6.415 4.233 21.745 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.669 5.130 22.672 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.308 3.498 22.663 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.271 5.774 24.444 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.234 4.451 24.941 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.111 4.162 23.969 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.596 4.112 25.644 1.00 0.00 H new ATOM 0 HE ARG A 502 5.049 2.166 24.328 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.497 2.637 24.951 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.815 0.901 24.884 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.544 0.006 24.241 1.00 0.00 H new ATOM 0 HH22 ARG A 502 7.208 -0.531 24.497 1.00 0.00 H new ATOM 444 N ASP A 503 5.343 5.721 19.389 1.00 0.00 N ATOM 445 CA ASP A 503 4.961 5.640 17.968 1.00 0.00 C ATOM 446 C ASP A 503 6.129 5.103 17.134 1.00 0.00 C ATOM 447 O ASP A 503 7.291 5.396 17.423 1.00 0.00 O ATOM 448 CB ASP A 503 4.549 7.020 17.418 1.00 0.00 C ATOM 449 CG ASP A 503 3.090 7.422 17.715 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.398 6.773 18.539 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.605 8.379 17.064 1.00 0.00 O ATOM 0 H ASP A 503 5.910 6.540 19.609 1.00 0.00 H new ATOM 0 HA ASP A 503 4.110 4.963 17.897 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.213 7.776 17.837 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.701 7.026 16.339 1.00 0.00 H new ATOM 456 N VAL A 504 5.816 4.363 16.067 1.00 0.00 N ATOM 457 CA VAL A 504 6.797 3.875 15.088 1.00 0.00 C ATOM 458 C VAL A 504 6.750 4.734 13.817 1.00 0.00 C ATOM 459 O VAL A 504 5.668 5.116 13.361 1.00 0.00 O ATOM 460 CB VAL A 504 6.605 2.369 14.817 1.00 0.00 C ATOM 461 CG1 VAL A 504 5.242 2.004 14.209 1.00 0.00 C ATOM 462 CG2 VAL A 504 7.724 1.810 13.931 1.00 0.00 C ATOM 0 H VAL A 504 4.859 4.080 15.854 1.00 0.00 H new ATOM 0 HA VAL A 504 7.801 3.978 15.500 1.00 0.00 H new ATOM 0 HB VAL A 504 6.645 1.906 15.803 1.00 0.00 H new ATOM 0 HG11 VAL A 504 5.191 0.927 14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 504 4.447 2.309 14.889 1.00 0.00 H new ATOM 0 HG13 VAL A 504 5.120 2.517 13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.556 0.746 13.761 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.728 2.334 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 504 8.685 1.951 14.426 1.00 0.00 H new ATOM 472 N LEU A 505 7.919 5.041 13.244 1.00 0.00 N ATOM 473 CA LEU A 505 8.085 5.893 12.056 1.00 0.00 C ATOM 474 C LEU A 505 9.031 5.231 11.045 1.00 0.00 C ATOM 475 O LEU A 505 9.946 4.491 11.416 1.00 0.00 O ATOM 476 CB LEU A 505 8.616 7.293 12.439 1.00 0.00 C ATOM 477 CG LEU A 505 7.855 7.999 13.580 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.629 9.230 14.034 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.470 8.479 13.142 1.00 0.00 C ATOM 0 H LEU A 505 8.807 4.693 13.605 1.00 0.00 H new ATOM 0 HA LEU A 505 7.104 6.014 11.597 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.663 7.200 12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.584 7.930 11.555 1.00 0.00 H new ATOM 0 HG LEU A 505 7.749 7.268 14.381 1.00 0.00 H new ATOM 0 HD11 LEU A 505 8.086 9.724 14.840 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.614 8.929 14.391 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.741 9.919 13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.973 8.969 13.979 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.573 9.185 12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.875 7.626 12.817 1.00 0.00 H new ATOM 491 N GLU A 506 8.823 5.529 9.762 1.00 0.00 N ATOM 492 CA GLU A 506 9.700 5.112 8.665 1.00 0.00 C ATOM 493 C GLU A 506 10.763 6.192 8.416 1.00 0.00 C ATOM 494 O GLU A 506 10.444 7.275 7.916 1.00 0.00 O ATOM 495 CB GLU A 506 8.842 4.842 7.415 1.00 0.00 C ATOM 496 CG GLU A 506 9.679 4.418 6.199 1.00 0.00 C ATOM 497 CD GLU A 506 8.828 3.994 4.981 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.585 4.181 4.970 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.407 3.459 4.003 1.00 0.00 O ATOM 0 H GLU A 506 8.023 6.079 9.449 1.00 0.00 H new ATOM 0 HA GLU A 506 10.225 4.191 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.115 4.061 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.277 5.741 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.328 5.244 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.327 3.590 6.485 1.00 0.00 H new ATOM 506 N VAL A 507 12.023 5.921 8.775 1.00 0.00 N ATOM 507 CA VAL A 507 13.160 6.759 8.348 1.00 0.00 C ATOM 508 C VAL A 507 13.440 6.577 6.849 1.00 0.00 C ATOM 509 O VAL A 507 13.176 5.522 6.272 1.00 0.00 O ATOM 510 CB VAL A 507 14.415 6.521 9.220 1.00 0.00 C ATOM 511 CG1 VAL A 507 14.936 5.091 9.269 1.00 0.00 C ATOM 512 CG2 VAL A 507 15.567 7.459 8.847 1.00 0.00 C ATOM 0 H VAL A 507 12.286 5.128 9.361 1.00 0.00 H new ATOM 0 HA VAL A 507 12.883 7.802 8.501 1.00 0.00 H new ATOM 0 HB VAL A 507 14.049 6.744 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 507 15.817 5.046 9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 507 14.163 4.435 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.202 4.766 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 507 16.425 7.253 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.844 7.298 7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 507 15.252 8.494 8.983 1.00 0.00 H new ATOM 522 N LEU A 508 14.000 7.619 6.240 1.00 0.00 N ATOM 523 CA LEU A 508 14.325 7.787 4.823 1.00 0.00 C ATOM 524 C LEU A 508 15.800 8.207 4.620 1.00 0.00 C ATOM 525 O LEU A 508 16.377 7.918 3.570 1.00 0.00 O ATOM 526 CB LEU A 508 13.417 8.882 4.224 1.00 0.00 C ATOM 527 CG LEU A 508 11.906 8.771 4.504 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.210 10.006 3.936 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.278 7.528 3.875 1.00 0.00 C ATOM 0 H LEU A 508 14.263 8.446 6.776 1.00 0.00 H new ATOM 0 HA LEU A 508 14.167 6.830 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.760 9.847 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.561 8.888 3.144 1.00 0.00 H new ATOM 0 HG LEU A 508 11.778 8.696 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.139 9.940 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.610 10.901 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.384 10.060 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.213 7.502 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.415 7.558 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.758 6.635 4.276 1.00 0.00 H new ATOM 541 N ASP A 509 16.415 8.874 5.611 1.00 0.00 N ATOM 542 CA ASP A 509 17.831 9.282 5.610 1.00 0.00 C ATOM 543 C ASP A 509 18.374 9.400 7.048 1.00 0.00 C ATOM 544 O ASP A 509 17.678 9.904 7.935 1.00 0.00 O ATOM 545 CB ASP A 509 17.985 10.624 4.877 1.00 0.00 C ATOM 546 CG ASP A 509 19.466 10.987 4.677 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.082 10.478 3.710 1.00 0.00 O ATOM 548 OD2 ASP A 509 20.016 11.779 5.477 1.00 0.00 O ATOM 0 H ASP A 509 15.926 9.153 6.461 1.00 0.00 H new ATOM 0 HA ASP A 509 18.409 8.517 5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.488 10.570 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.490 11.410 5.447 1.00 0.00 H new ATOM 553 N ASP A 510 19.611 8.939 7.275 1.00 0.00 N ATOM 554 CA ASP A 510 20.195 8.699 8.608 1.00 0.00 C ATOM 555 C ASP A 510 21.710 9.009 8.694 1.00 0.00 C ATOM 556 O ASP A 510 22.470 8.358 9.419 1.00 0.00 O ATOM 557 CB ASP A 510 19.841 7.271 9.077 1.00 0.00 C ATOM 558 CG ASP A 510 20.166 6.176 8.043 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.341 5.742 7.948 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.243 5.718 7.324 1.00 0.00 O ATOM 0 H ASP A 510 20.255 8.715 6.516 1.00 0.00 H new ATOM 0 HA ASP A 510 19.747 9.413 9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.381 7.058 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.778 7.230 9.313 1.00 0.00 H new ATOM 565 N SER A 511 22.161 10.035 7.962 1.00 0.00 N ATOM 566 CA SER A 511 23.583 10.396 7.801 1.00 0.00 C ATOM 567 C SER A 511 24.022 11.588 8.668 1.00 0.00 C ATOM 568 O SER A 511 25.162 12.052 8.554 1.00 0.00 O ATOM 569 CB SER A 511 23.861 10.676 6.318 1.00 0.00 C ATOM 570 OG SER A 511 23.684 9.499 5.540 1.00 0.00 O ATOM 0 H SER A 511 21.534 10.656 7.450 1.00 0.00 H new ATOM 0 HA SER A 511 24.173 9.549 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.192 11.458 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 511 24.879 11.047 6.198 1.00 0.00 H new ATOM 0 HG SER A 511 23.864 9.699 4.598 1.00 0.00 H new ATOM 576 N ARG A 512 23.128 12.088 9.531 1.00 0.00 N ATOM 577 CA ARG A 512 23.294 13.297 10.359 1.00 0.00 C ATOM 578 C ARG A 512 22.583 13.183 11.720 1.00 0.00 C ATOM 579 O ARG A 512 21.874 12.212 11.984 1.00 0.00 O ATOM 580 CB ARG A 512 22.784 14.511 9.546 1.00 0.00 C ATOM 581 CG ARG A 512 23.800 14.955 8.480 1.00 0.00 C ATOM 582 CD ARG A 512 23.535 16.392 8.003 1.00 0.00 C ATOM 583 NE ARG A 512 24.729 16.995 7.375 1.00 0.00 N ATOM 584 CZ ARG A 512 25.185 16.817 6.146 1.00 0.00 C ATOM 585 NH1 ARG A 512 24.589 16.047 5.279 1.00 0.00 N ATOM 586 NH2 ARG A 512 26.270 17.425 5.761 1.00 0.00 N ATOM 0 H ARG A 512 22.224 11.641 9.680 1.00 0.00 H new ATOM 0 HA ARG A 512 24.350 13.425 10.596 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.841 14.255 9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.581 15.341 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.808 14.888 8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.755 14.275 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.711 16.391 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.223 17.003 8.850 1.00 0.00 H new ATOM 0 HE ARG A 512 25.270 17.629 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 512 23.735 15.553 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 512 24.976 15.939 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 512 26.768 18.038 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 512 26.622 17.288 4.814 1.00 0.00 H new ATOM 600 N LYS A 513 22.751 14.207 12.570 1.00 0.00 N ATOM 601 CA LYS A 513 22.113 14.374 13.900 1.00 0.00 C ATOM 602 C LYS A 513 20.573 14.393 13.876 1.00 0.00 C ATOM 603 O LYS A 513 19.931 14.168 14.899 1.00 0.00 O ATOM 604 CB LYS A 513 22.597 15.703 14.507 1.00 0.00 C ATOM 605 CG LYS A 513 24.097 15.808 14.816 1.00 0.00 C ATOM 606 CD LYS A 513 24.489 15.057 16.098 1.00 0.00 C ATOM 607 CE LYS A 513 25.884 15.473 16.590 1.00 0.00 C ATOM 608 NZ LYS A 513 26.972 15.012 15.682 1.00 0.00 N ATOM 0 H LYS A 513 23.368 14.987 12.343 1.00 0.00 H new ATOM 0 HA LYS A 513 22.404 13.504 14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.333 16.508 13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 513 22.045 15.877 15.431 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.666 15.409 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.371 16.858 14.916 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.753 15.256 16.877 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.473 13.983 15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 513 25.925 16.559 16.679 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.050 15.065 17.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.892 15.318 16.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.953 13.974 15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.832 15.421 14.736 1.00 0.00 H new ATOM 622 N TRP A 514 19.970 14.674 12.725 1.00 0.00 N ATOM 623 CA TRP A 514 18.520 14.743 12.530 1.00 0.00 C ATOM 624 C TRP A 514 18.147 13.914 11.306 1.00 0.00 C ATOM 625 O TRP A 514 18.612 14.175 10.193 1.00 0.00 O ATOM 626 CB TRP A 514 18.087 16.203 12.355 1.00 0.00 C ATOM 627 CG TRP A 514 18.052 17.048 13.594 1.00 0.00 C ATOM 628 CD1 TRP A 514 19.114 17.413 14.347 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.897 17.674 14.229 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.695 18.150 15.436 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.330 18.325 15.422 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.525 17.765 13.912 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.437 18.972 16.286 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.626 18.453 14.745 1.00 0.00 C ATOM 635 CH2 TRP A 514 15.075 19.043 15.944 1.00 0.00 C ATOM 0 H TRP A 514 20.493 14.867 11.871 1.00 0.00 H new ATOM 0 HA TRP A 514 18.005 14.341 13.402 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.761 16.675 11.640 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.093 16.212 11.909 1.00 0.00 H new ATOM 0 HD1 TRP A 514 20.142 17.164 14.128 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.316 18.517 16.157 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.158 17.296 13.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.791 19.412 17.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.586 18.530 14.465 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.377 19.547 16.596 1.00 0.00 H new ATOM 646 N TRP A 515 17.344 12.877 11.533 1.00 0.00 N ATOM 647 CA TRP A 515 16.953 11.916 10.504 1.00 0.00 C ATOM 648 C TRP A 515 15.689 12.393 9.785 1.00 0.00 C ATOM 649 O TRP A 515 14.811 13.018 10.390 1.00 0.00 O ATOM 650 CB TRP A 515 16.759 10.534 11.144 1.00 0.00 C ATOM 651 CG TRP A 515 18.000 9.851 11.654 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.228 10.407 11.792 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.164 8.456 12.060 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.125 9.472 12.258 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.524 8.249 12.447 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.309 7.334 12.111 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.007 7.005 12.874 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.787 6.074 12.528 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.128 5.911 12.921 1.00 0.00 C ATOM 0 H TRP A 515 16.941 12.678 12.449 1.00 0.00 H new ATOM 0 HA TRP A 515 17.741 11.836 9.755 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.060 10.637 11.974 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.287 9.881 10.410 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.469 11.436 11.569 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.110 9.662 12.440 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.273 7.442 11.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.041 6.889 13.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.117 5.227 12.546 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.480 4.947 13.258 1.00 0.00 H new ATOM 670 N LYS A 516 15.588 12.090 8.486 1.00 0.00 N ATOM 671 CA LYS A 516 14.402 12.364 7.682 1.00 0.00 C ATOM 672 C LYS A 516 13.479 11.169 7.813 1.00 0.00 C ATOM 673 O LYS A 516 13.829 10.078 7.379 1.00 0.00 O ATOM 674 CB LYS A 516 14.799 12.636 6.224 1.00 0.00 C ATOM 675 CG LYS A 516 13.595 13.205 5.462 1.00 0.00 C ATOM 676 CD LYS A 516 13.963 13.528 4.009 1.00 0.00 C ATOM 677 CE LYS A 516 12.769 14.129 3.256 1.00 0.00 C ATOM 678 NZ LYS A 516 13.165 14.594 1.898 1.00 0.00 N ATOM 0 H LYS A 516 16.339 11.642 7.961 1.00 0.00 H new ATOM 0 HA LYS A 516 13.885 13.258 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.631 13.339 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.140 11.715 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.776 12.486 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.239 14.107 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.798 14.228 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.295 12.621 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.977 13.384 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.361 14.965 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.337 14.995 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.903 15.322 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.532 13.790 1.349 1.00 0.00 H new ATOM 692 N VAL A 517 12.324 11.366 8.424 1.00 0.00 N ATOM 693 CA VAL A 517 11.285 10.339 8.621 1.00 0.00 C ATOM 694 C VAL A 517 9.946 10.788 8.017 1.00 0.00 C ATOM 695 O VAL A 517 9.832 11.905 7.500 1.00 0.00 O ATOM 696 CB VAL A 517 11.145 9.942 10.115 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.485 9.684 10.819 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.397 11.001 10.928 1.00 0.00 C ATOM 0 H VAL A 517 12.063 12.272 8.814 1.00 0.00 H new ATOM 0 HA VAL A 517 11.600 9.442 8.088 1.00 0.00 H new ATOM 0 HB VAL A 517 10.579 9.011 10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.303 9.412 11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.009 8.870 10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.095 10.586 10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.324 10.678 11.967 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.937 11.946 10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.396 11.134 10.518 1.00 0.00 H new ATOM 708 N ARG A 518 8.918 9.936 8.112 1.00 0.00 N ATOM 709 CA ARG A 518 7.526 10.254 7.748 1.00 0.00 C ATOM 710 C ARG A 518 6.582 9.859 8.881 1.00 0.00 C ATOM 711 O ARG A 518 6.748 8.796 9.485 1.00 0.00 O ATOM 712 CB ARG A 518 7.164 9.554 6.429 1.00 0.00 C ATOM 713 CG ARG A 518 5.840 10.067 5.833 1.00 0.00 C ATOM 714 CD ARG A 518 5.471 9.328 4.543 1.00 0.00 C ATOM 715 NE ARG A 518 5.018 7.950 4.821 1.00 0.00 N ATOM 716 CZ ARG A 518 4.828 6.989 3.933 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.038 7.168 2.658 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.408 5.817 4.313 1.00 0.00 N ATOM 0 H ARG A 518 9.031 8.981 8.453 1.00 0.00 H new ATOM 0 HA ARG A 518 7.421 11.328 7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.967 9.707 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.090 8.480 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.041 9.943 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.923 11.135 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.684 9.873 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.334 9.301 3.878 1.00 0.00 H new ATOM 0 HE ARG A 518 4.833 7.716 5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.360 8.074 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.880 6.402 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.224 5.637 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.263 5.079 3.624 1.00 0.00 H new ATOM 732 N ASP A 519 5.611 10.719 9.185 1.00 0.00 N ATOM 733 CA ASP A 519 4.591 10.448 10.202 1.00 0.00 C ATOM 734 C ASP A 519 3.556 9.395 9.728 1.00 0.00 C ATOM 735 O ASP A 519 3.519 9.041 8.542 1.00 0.00 O ATOM 736 CB ASP A 519 3.979 11.789 10.639 1.00 0.00 C ATOM 737 CG ASP A 519 2.640 12.102 9.949 1.00 0.00 C ATOM 738 OD1 ASP A 519 2.577 12.001 8.709 1.00 0.00 O ATOM 739 OD2 ASP A 519 1.647 12.427 10.637 1.00 0.00 O ATOM 0 H ASP A 519 5.508 11.627 8.732 1.00 0.00 H new ATOM 0 HA ASP A 519 5.044 9.985 11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.829 11.777 11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 519 4.686 12.590 10.424 1.00 0.00 H new ATOM 744 N PRO A 520 2.686 8.889 10.621 1.00 0.00 N ATOM 745 CA PRO A 520 1.676 7.878 10.288 1.00 0.00 C ATOM 746 C PRO A 520 0.449 8.418 9.507 1.00 0.00 C ATOM 747 O PRO A 520 -0.609 7.781 9.510 1.00 0.00 O ATOM 748 CB PRO A 520 1.326 7.234 11.637 1.00 0.00 C ATOM 749 CG PRO A 520 1.512 8.374 12.634 1.00 0.00 C ATOM 750 CD PRO A 520 2.680 9.159 12.053 1.00 0.00 C ATOM 0 HA PRO A 520 2.066 7.149 9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.304 6.854 11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.981 6.393 11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.615 8.988 12.715 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.735 8.002 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.566 10.226 12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.620 8.851 12.510 1.00 0.00 H new ATOM 758 N ALA A 521 0.571 9.563 8.819 1.00 0.00 N ATOM 759 CA ALA A 521 -0.482 10.178 8.005 1.00 0.00 C ATOM 760 C ALA A 521 -0.020 10.565 6.585 1.00 0.00 C ATOM 761 O ALA A 521 -0.790 10.387 5.634 1.00 0.00 O ATOM 762 CB ALA A 521 -1.031 11.399 8.754 1.00 0.00 C ATOM 0 H ALA A 521 1.436 10.103 8.816 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.265 9.434 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.816 11.867 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.441 11.083 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -0.226 12.115 8.921 1.00 0.00 H new ATOM 768 N GLY A 522 1.219 11.048 6.412 1.00 0.00 N ATOM 769 CA GLY A 522 1.805 11.314 5.088 1.00 0.00 C ATOM 770 C GLY A 522 2.817 12.458 4.989 1.00 0.00 C ATOM 771 O GLY A 522 3.085 12.932 3.882 1.00 0.00 O ATOM 0 H GLY A 522 1.845 11.266 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.292 10.401 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.991 11.522 4.394 1.00 0.00 H new ATOM 775 N GLN A 523 3.352 12.933 6.114 1.00 0.00 N ATOM 776 CA GLN A 523 4.135 14.164 6.211 1.00 0.00 C ATOM 777 C GLN A 523 5.605 13.821 6.456 1.00 0.00 C ATOM 778 O GLN A 523 5.915 13.109 7.409 1.00 0.00 O ATOM 779 CB GLN A 523 3.603 14.996 7.388 1.00 0.00 C ATOM 780 CG GLN A 523 2.093 15.249 7.316 1.00 0.00 C ATOM 781 CD GLN A 523 1.619 16.289 8.325 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.363 17.443 7.997 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.462 15.940 9.586 1.00 0.00 N ATOM 0 H GLN A 523 3.249 12.457 7.010 1.00 0.00 H new ATOM 0 HA GLN A 523 4.049 14.730 5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.835 14.483 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 523 4.124 15.953 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.832 15.580 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.564 14.312 7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.669 14.986 9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.133 16.624 10.267 1.00 0.00 H new ATOM 792 N GLU A 524 6.508 14.326 5.613 1.00 0.00 N ATOM 793 CA GLU A 524 7.962 14.125 5.732 1.00 0.00 C ATOM 794 C GLU A 524 8.676 15.380 6.268 1.00 0.00 C ATOM 795 O GLU A 524 8.252 16.516 6.030 1.00 0.00 O ATOM 796 CB GLU A 524 8.572 13.743 4.373 1.00 0.00 C ATOM 797 CG GLU A 524 8.067 12.401 3.831 1.00 0.00 C ATOM 798 CD GLU A 524 8.504 12.134 2.374 1.00 0.00 C ATOM 799 OE1 GLU A 524 9.598 12.584 1.949 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.743 11.460 1.635 1.00 0.00 O ATOM 0 H GLU A 524 6.248 14.899 4.810 1.00 0.00 H new ATOM 0 HA GLU A 524 8.109 13.313 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.346 14.526 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.657 13.702 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.435 11.597 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.979 12.379 3.888 1.00 0.00 H new ATOM 807 N GLY A 525 9.786 15.167 6.979 1.00 0.00 N ATOM 808 CA GLY A 525 10.591 16.215 7.615 1.00 0.00 C ATOM 809 C GLY A 525 11.607 15.657 8.609 1.00 0.00 C ATOM 810 O GLY A 525 11.787 14.439 8.722 1.00 0.00 O ATOM 0 H GLY A 525 10.162 14.231 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 525 11.115 16.782 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.930 16.912 8.130 1.00 0.00 H new ATOM 814 N TYR A 526 12.274 16.554 9.334 1.00 0.00 N ATOM 815 CA TYR A 526 13.380 16.204 10.221 1.00 0.00 C ATOM 816 C TYR A 526 12.925 16.076 11.676 1.00 0.00 C ATOM 817 O TYR A 526 12.117 16.868 12.170 1.00 0.00 O ATOM 818 CB TYR A 526 14.501 17.242 10.080 1.00 0.00 C ATOM 819 CG TYR A 526 15.147 17.324 8.704 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.694 16.174 8.095 1.00 0.00 C ATOM 821 CD2 TYR A 526 15.228 18.564 8.043 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.314 16.265 6.832 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.855 18.662 6.787 1.00 0.00 C ATOM 824 CZ TYR A 526 16.398 17.513 6.176 1.00 0.00 C ATOM 825 OH TYR A 526 16.995 17.610 4.955 1.00 0.00 O ATOM 0 H TYR A 526 12.060 17.551 9.321 1.00 0.00 H new ATOM 0 HA TYR A 526 13.761 15.226 9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 526 14.098 18.223 10.332 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.275 17.017 10.813 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.637 15.220 8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.806 19.446 8.503 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.724 15.381 6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.920 19.619 6.290 1.00 0.00 H new ATOM 0 HH TYR A 526 16.964 18.540 4.649 1.00 0.00 H new ATOM 835 N VAL A 527 13.499 15.093 12.371 1.00 0.00 N ATOM 836 CA VAL A 527 13.332 14.855 13.811 1.00 0.00 C ATOM 837 C VAL A 527 14.690 14.483 14.436 1.00 0.00 C ATOM 838 O VAL A 527 15.547 13.914 13.751 1.00 0.00 O ATOM 839 CB VAL A 527 12.278 13.760 14.099 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.867 14.205 13.697 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.596 12.434 13.406 1.00 0.00 C ATOM 0 H VAL A 527 14.118 14.412 11.931 1.00 0.00 H new ATOM 0 HA VAL A 527 12.965 15.776 14.265 1.00 0.00 H new ATOM 0 HB VAL A 527 12.315 13.603 15.177 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.158 13.407 13.916 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.593 15.098 14.259 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.846 14.427 12.630 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.822 11.704 13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.631 12.586 12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.562 12.065 13.752 1.00 0.00 H new ATOM 851 N PRO A 528 14.921 14.800 15.721 1.00 0.00 N ATOM 852 CA PRO A 528 16.211 14.597 16.374 1.00 0.00 C ATOM 853 C PRO A 528 16.497 13.112 16.623 1.00 0.00 C ATOM 854 O PRO A 528 15.649 12.387 17.145 1.00 0.00 O ATOM 855 CB PRO A 528 16.106 15.386 17.679 1.00 0.00 C ATOM 856 CG PRO A 528 14.615 15.404 17.999 1.00 0.00 C ATOM 857 CD PRO A 528 13.984 15.461 16.617 1.00 0.00 C ATOM 0 HA PRO A 528 17.042 14.938 15.756 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.677 14.911 18.477 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.499 16.396 17.564 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.307 14.515 18.550 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.340 16.266 18.607 1.00 0.00 H new ATOM 0 HD2 PRO A 528 13.016 14.959 16.609 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.811 16.492 16.309 1.00 0.00 H new ATOM 865 N TYR A 529 17.716 12.649 16.327 1.00 0.00 N ATOM 866 CA TYR A 529 18.107 11.253 16.601 1.00 0.00 C ATOM 867 C TYR A 529 18.055 10.877 18.092 1.00 0.00 C ATOM 868 O TYR A 529 17.930 9.698 18.421 1.00 0.00 O ATOM 869 CB TYR A 529 19.485 10.923 16.006 1.00 0.00 C ATOM 870 CG TYR A 529 20.693 11.216 16.895 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.939 12.519 17.371 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.564 10.173 17.270 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.034 12.791 18.217 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.662 10.433 18.114 1.00 0.00 C ATOM 875 CZ TYR A 529 22.900 11.740 18.592 1.00 0.00 C ATOM 876 OH TYR A 529 23.958 11.977 19.415 1.00 0.00 O ATOM 0 H TYR A 529 18.450 13.214 15.899 1.00 0.00 H new ATOM 0 HA TYR A 529 17.355 10.641 16.103 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.501 9.865 15.745 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.600 11.482 15.077 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.278 13.323 17.083 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.389 9.170 16.909 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.209 13.795 18.575 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.325 9.629 18.397 1.00 0.00 H new ATOM 0 HH TYR A 529 24.446 11.141 19.569 1.00 0.00 H new ATOM 886 N ASN A 530 18.101 11.866 18.998 1.00 0.00 N ATOM 887 CA ASN A 530 17.985 11.651 20.440 1.00 0.00 C ATOM 888 C ASN A 530 16.676 10.938 20.831 1.00 0.00 C ATOM 889 O ASN A 530 16.695 10.058 21.696 1.00 0.00 O ATOM 890 CB ASN A 530 18.120 13.015 21.138 1.00 0.00 C ATOM 891 CG ASN A 530 18.081 12.906 22.655 1.00 0.00 C ATOM 892 OD1 ASN A 530 17.064 12.621 23.272 1.00 0.00 O ATOM 893 ND2 ASN A 530 19.181 13.176 23.314 1.00 0.00 N ATOM 0 H ASN A 530 18.221 12.846 18.742 1.00 0.00 H new ATOM 0 HA ASN A 530 18.783 10.983 20.766 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.057 13.482 20.836 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.315 13.670 20.804 1.00 0.00 H new ATOM 0 HD21 ASN A 530 19.185 13.148 24.334 1.00 0.00 H new ATOM 0 HD22 ASN A 530 20.034 13.415 22.807 1.00 0.00 H new ATOM 900 N ILE A 531 15.559 11.278 20.170 1.00 0.00 N ATOM 901 CA ILE A 531 14.246 10.679 20.465 1.00 0.00 C ATOM 902 C ILE A 531 13.969 9.425 19.627 1.00 0.00 C ATOM 903 O ILE A 531 12.898 8.842 19.780 1.00 0.00 O ATOM 904 CB ILE A 531 13.084 11.704 20.380 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.639 11.981 18.926 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.450 13.004 21.126 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.536 13.035 18.790 1.00 0.00 C ATOM 0 H ILE A 531 15.538 11.970 19.421 1.00 0.00 H new ATOM 0 HA ILE A 531 14.295 10.355 21.505 1.00 0.00 H new ATOM 0 HB ILE A 531 12.222 11.258 20.877 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.506 12.304 18.349 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.290 11.049 18.482 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.622 13.710 21.055 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.646 12.779 22.174 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.341 13.443 20.677 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.286 13.166 17.737 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.651 12.708 19.335 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.885 13.982 19.200 1.00 0.00 H new ATOM 919 N LEU A 532 14.888 9.006 18.748 1.00 0.00 N ATOM 920 CA LEU A 532 14.722 7.799 17.933 1.00 0.00 C ATOM 921 C LEU A 532 15.560 6.630 18.479 1.00 0.00 C ATOM 922 O LEU A 532 16.719 6.804 18.871 1.00 0.00 O ATOM 923 CB LEU A 532 15.118 8.107 16.476 1.00 0.00 C ATOM 924 CG LEU A 532 14.269 9.170 15.748 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.752 9.252 14.295 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.772 8.851 15.747 1.00 0.00 C ATOM 0 H LEU A 532 15.768 9.495 18.583 1.00 0.00 H new ATOM 0 HA LEU A 532 13.675 7.498 17.973 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.158 8.434 16.466 1.00 0.00 H new ATOM 0 HB3 LEU A 532 15.069 7.180 15.905 1.00 0.00 H new ATOM 0 HG LEU A 532 14.395 10.113 16.280 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.166 9.998 13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.804 9.535 14.277 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.629 8.281 13.815 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.233 9.638 15.219 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.604 7.897 15.247 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.412 8.791 16.774 1.00 0.00 H new ATOM 938 N THR A 533 15.009 5.413 18.418 1.00 0.00 N ATOM 939 CA THR A 533 15.739 4.167 18.714 1.00 0.00 C ATOM 940 C THR A 533 15.437 3.082 17.662 1.00 0.00 C ATOM 941 O THR A 533 14.280 2.961 17.240 1.00 0.00 O ATOM 942 CB THR A 533 15.463 3.701 20.161 1.00 0.00 C ATOM 943 OG1 THR A 533 16.322 2.642 20.520 1.00 0.00 O ATOM 944 CG2 THR A 533 14.041 3.220 20.442 1.00 0.00 C ATOM 0 H THR A 533 14.034 5.259 18.160 1.00 0.00 H new ATOM 0 HA THR A 533 16.809 4.364 18.649 1.00 0.00 H new ATOM 0 HB THR A 533 15.632 4.603 20.749 1.00 0.00 H new ATOM 0 HG1 THR A 533 16.131 2.364 21.440 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.959 2.917 21.486 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.337 4.028 20.242 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.810 2.371 19.799 1.00 0.00 H new ATOM 952 N PRO A 534 16.442 2.305 17.197 1.00 0.00 N ATOM 953 CA PRO A 534 16.255 1.224 16.226 1.00 0.00 C ATOM 954 C PRO A 534 15.325 0.147 16.799 1.00 0.00 C ATOM 955 O PRO A 534 15.667 -0.537 17.766 1.00 0.00 O ATOM 956 CB PRO A 534 17.658 0.693 15.898 1.00 0.00 C ATOM 957 CG PRO A 534 18.487 1.074 17.122 1.00 0.00 C ATOM 958 CD PRO A 534 17.847 2.383 17.577 1.00 0.00 C ATOM 0 HA PRO A 534 15.772 1.568 15.312 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.651 -0.385 15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.055 1.146 14.989 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.437 0.309 17.897 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.540 1.205 16.871 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.952 2.513 18.654 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.331 3.237 17.104 1.00 0.00 H new