USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 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 180:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.234 K(o=-0.23,f=-4!) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0.0747 K(o=0.075,f=-0.94) USER MOD Single : A 493 ASN : amide:sc= 0.976 K(o=0.98,f=-0.15) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0.0027 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 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot -44:sc= 0.0325 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 X(o=0,f=-0.28) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.572 2.401 7.531 1.00 0.00 N ATOM 75 CA LYS A 481 14.073 1.437 8.539 1.00 0.00 C ATOM 76 C LYS A 481 13.062 2.076 9.493 1.00 0.00 C ATOM 77 O LYS A 481 12.838 3.289 9.473 1.00 0.00 O ATOM 78 CB LYS A 481 15.231 0.805 9.356 1.00 0.00 C ATOM 79 CG LYS A 481 15.240 -0.727 9.214 1.00 0.00 C ATOM 80 CD LYS A 481 16.109 -1.381 10.295 1.00 0.00 C ATOM 81 CE LYS A 481 16.344 -2.863 9.976 1.00 0.00 C ATOM 82 NZ LYS A 481 17.201 -3.514 11.003 1.00 0.00 N ATOM 0 HA LYS A 481 13.570 0.649 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.184 1.210 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.128 1.075 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 481 14.221 -1.107 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 481 15.615 -1.001 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 481 17.065 -0.862 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 481 15.624 -1.285 11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 481 15.386 -3.380 9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 481 16.814 -2.955 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 17.339 -4.515 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 18.124 -3.036 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 16.740 -3.447 11.933 1.00 0.00 H new ATOM 96 N TRP A 482 12.475 1.243 10.347 1.00 0.00 N ATOM 97 CA TRP A 482 11.549 1.642 11.406 1.00 0.00 C ATOM 98 C TRP A 482 12.302 2.079 12.667 1.00 0.00 C ATOM 99 O TRP A 482 13.301 1.463 13.057 1.00 0.00 O ATOM 100 CB TRP A 482 10.614 0.468 11.748 1.00 0.00 C ATOM 101 CG TRP A 482 10.357 -0.512 10.645 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.629 -1.836 10.690 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.869 -0.246 9.296 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.354 -2.407 9.462 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.869 -1.474 8.566 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.465 0.920 8.610 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.454 -1.547 7.228 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.080 0.860 7.256 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.050 -0.369 6.574 1.00 0.00 C ATOM 0 H TRP A 482 12.636 0.236 10.321 1.00 0.00 H new ATOM 0 HA TRP A 482 10.965 2.489 11.044 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.037 -0.072 12.595 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.657 0.875 12.075 1.00 0.00 H new ATOM 0 HD1 TRP A 482 11.004 -2.366 11.553 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.492 -3.394 9.244 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.451 1.867 9.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.445 -2.493 6.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 8.805 1.767 6.737 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.717 -0.409 5.548 1.00 0.00 H new ATOM 120 N VAL A 483 11.769 3.088 13.354 1.00 0.00 N ATOM 121 CA VAL A 483 12.240 3.537 14.674 1.00 0.00 C ATOM 122 C VAL A 483 11.057 3.869 15.581 1.00 0.00 C ATOM 123 O VAL A 483 10.063 4.446 15.135 1.00 0.00 O ATOM 124 CB VAL A 483 13.189 4.750 14.578 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.541 4.375 13.961 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.602 5.915 13.773 1.00 0.00 C ATOM 0 H VAL A 483 10.980 3.632 13.005 1.00 0.00 H new ATOM 0 HA VAL A 483 12.807 2.712 15.106 1.00 0.00 H new ATOM 0 HB VAL A 483 13.327 5.073 15.610 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.177 5.259 13.913 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.023 3.614 14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.386 3.984 12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.319 6.735 13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.388 5.584 12.757 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.680 6.256 14.245 1.00 0.00 H new ATOM 136 N LEU A 484 11.170 3.497 16.857 1.00 0.00 N ATOM 137 CA LEU A 484 10.245 3.899 17.922 1.00 0.00 C ATOM 138 C LEU A 484 10.658 5.269 18.487 1.00 0.00 C ATOM 139 O LEU A 484 11.847 5.547 18.667 1.00 0.00 O ATOM 140 CB LEU A 484 10.279 2.806 19.011 1.00 0.00 C ATOM 141 CG LEU A 484 9.376 3.020 20.238 1.00 0.00 C ATOM 142 CD1 LEU A 484 7.904 3.132 19.852 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.519 1.840 21.196 1.00 0.00 C ATOM 0 H LEU A 484 11.923 2.894 17.188 1.00 0.00 H new ATOM 0 HA LEU A 484 9.229 4.000 17.540 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.005 1.858 18.549 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.307 2.706 19.359 1.00 0.00 H new ATOM 0 HG LEU A 484 9.692 3.952 20.708 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.303 3.282 20.749 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.768 3.978 19.178 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.588 2.216 19.353 1.00 0.00 H new ATOM 0 HD21 LEU A 484 8.878 1.996 22.064 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.225 0.921 20.688 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.556 1.759 21.521 1.00 0.00 H new ATOM 155 N CYS A 485 9.672 6.107 18.802 1.00 0.00 N ATOM 156 CA CYS A 485 9.866 7.366 19.515 1.00 0.00 C ATOM 157 C CYS A 485 9.990 7.124 21.031 1.00 0.00 C ATOM 158 O CYS A 485 9.017 6.752 21.688 1.00 0.00 O ATOM 159 CB CYS A 485 8.709 8.317 19.174 1.00 0.00 C ATOM 160 SG CYS A 485 9.094 9.199 17.637 1.00 0.00 S ATOM 0 H CYS A 485 8.697 5.925 18.564 1.00 0.00 H new ATOM 0 HA CYS A 485 10.800 7.830 19.198 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.782 7.755 19.062 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.555 9.028 19.986 1.00 0.00 H new ATOM 0 HG CYS A 485 8.117 10.004 17.342 1.00 0.00 H new ATOM 166 N ASN A 486 11.180 7.357 21.591 1.00 0.00 N ATOM 167 CA ASN A 486 11.446 7.345 23.032 1.00 0.00 C ATOM 168 C ASN A 486 10.726 8.480 23.799 1.00 0.00 C ATOM 169 O ASN A 486 10.346 8.297 24.959 1.00 0.00 O ATOM 170 CB ASN A 486 12.961 7.503 23.255 1.00 0.00 C ATOM 171 CG ASN A 486 13.794 6.370 22.690 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.573 6.543 21.764 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.667 5.185 23.242 1.00 0.00 N ATOM 0 H ASN A 486 12.011 7.566 21.037 1.00 0.00 H new ATOM 0 HA ASN A 486 11.068 6.398 23.417 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.288 8.440 22.803 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.153 7.582 24.325 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.221 4.400 22.898 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.015 5.049 24.014 1.00 0.00 H new ATOM 180 N TYR A 487 10.549 9.641 23.154 1.00 0.00 N ATOM 181 CA TYR A 487 10.028 10.892 23.731 1.00 0.00 C ATOM 182 C TYR A 487 9.107 11.618 22.731 1.00 0.00 C ATOM 183 O TYR A 487 9.121 11.327 21.532 1.00 0.00 O ATOM 184 CB TYR A 487 11.187 11.821 24.134 1.00 0.00 C ATOM 185 CG TYR A 487 12.238 11.220 25.052 1.00 0.00 C ATOM 186 CD1 TYR A 487 12.025 11.166 26.442 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.438 10.725 24.510 1.00 0.00 C ATOM 188 CE1 TYR A 487 13.009 10.612 27.287 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.423 10.167 25.346 1.00 0.00 C ATOM 190 CZ TYR A 487 14.211 10.109 26.740 1.00 0.00 C ATOM 191 OH TYR A 487 15.163 9.571 27.551 1.00 0.00 O ATOM 0 H TYR A 487 10.776 9.740 22.165 1.00 0.00 H new ATOM 0 HA TYR A 487 9.448 10.635 24.618 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.682 12.166 23.226 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.768 12.701 24.622 1.00 0.00 H new ATOM 0 HD1 TYR A 487 11.107 11.549 26.862 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.605 10.774 23.444 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.844 10.572 28.354 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.339 9.784 24.922 1.00 0.00 H new ATOM 0 HH TYR A 487 15.924 9.273 27.010 1.00 0.00 H new ATOM 201 N ASP A 488 8.303 12.566 23.216 1.00 0.00 N ATOM 202 CA ASP A 488 7.489 13.458 22.378 1.00 0.00 C ATOM 203 C ASP A 488 8.282 14.663 21.825 1.00 0.00 C ATOM 204 O ASP A 488 9.317 15.058 22.376 1.00 0.00 O ATOM 205 CB ASP A 488 6.272 13.954 23.169 1.00 0.00 C ATOM 206 CG ASP A 488 6.622 14.966 24.269 1.00 0.00 C ATOM 207 OD1 ASP A 488 7.134 14.547 25.337 1.00 0.00 O ATOM 208 OD2 ASP A 488 6.342 16.177 24.079 1.00 0.00 O ATOM 0 H ASP A 488 8.195 12.741 24.215 1.00 0.00 H new ATOM 0 HA ASP A 488 7.166 12.871 21.518 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.563 14.411 22.479 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.770 13.098 23.621 1.00 0.00 H new ATOM 213 N PHE A 489 7.768 15.265 20.750 1.00 0.00 N ATOM 214 CA PHE A 489 8.324 16.446 20.085 1.00 0.00 C ATOM 215 C PHE A 489 7.250 17.195 19.268 1.00 0.00 C ATOM 216 O PHE A 489 6.247 16.608 18.861 1.00 0.00 O ATOM 217 CB PHE A 489 9.471 15.983 19.175 1.00 0.00 C ATOM 218 CG PHE A 489 10.216 17.109 18.494 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.865 18.090 19.270 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.201 17.218 17.090 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.474 19.191 18.644 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.838 18.303 16.466 1.00 0.00 C ATOM 223 CZ PHE A 489 11.467 19.291 17.243 1.00 0.00 C ATOM 0 H PHE A 489 6.917 14.929 20.300 1.00 0.00 H new ATOM 0 HA PHE A 489 8.693 17.145 20.835 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.177 15.401 19.767 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.068 15.316 18.413 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.894 17.996 20.345 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.701 16.469 16.494 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.946 19.959 19.239 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.845 18.378 15.389 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.947 20.130 16.761 1.00 0.00 H new ATOM 233 N GLN A 490 7.457 18.486 18.988 1.00 0.00 N ATOM 234 CA GLN A 490 6.505 19.342 18.269 1.00 0.00 C ATOM 235 C GLN A 490 7.199 20.096 17.133 1.00 0.00 C ATOM 236 O GLN A 490 8.301 20.614 17.307 1.00 0.00 O ATOM 237 CB GLN A 490 5.846 20.349 19.227 1.00 0.00 C ATOM 238 CG GLN A 490 4.925 19.684 20.262 1.00 0.00 C ATOM 239 CD GLN A 490 5.641 19.049 21.464 1.00 0.00 C ATOM 240 OE1 GLN A 490 6.756 19.398 21.836 1.00 0.00 O ATOM 241 NE2 GLN A 490 5.026 18.091 22.127 1.00 0.00 N ATOM 0 H GLN A 490 8.309 18.976 19.260 1.00 0.00 H new ATOM 0 HA GLN A 490 5.735 18.697 17.846 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.623 20.908 19.748 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.270 21.070 18.647 1.00 0.00 H new ATOM 0 HG2 GLN A 490 4.222 20.430 20.631 1.00 0.00 H new ATOM 0 HG3 GLN A 490 4.338 18.914 19.761 1.00 0.00 H new ATOM 0 HE21 GLN A 490 4.098 17.784 21.836 1.00 0.00 H new ATOM 0 HE22 GLN A 490 5.478 17.656 22.931 1.00 0.00 H new ATOM 250 N ALA A 491 6.526 20.194 15.983 1.00 0.00 N ATOM 251 CA ALA A 491 7.073 20.864 14.804 1.00 0.00 C ATOM 252 C ALA A 491 7.084 22.391 14.988 1.00 0.00 C ATOM 253 O ALA A 491 6.058 23.062 14.825 1.00 0.00 O ATOM 254 CB ALA A 491 6.308 20.456 13.540 1.00 0.00 C ATOM 0 H ALA A 491 5.590 19.812 15.845 1.00 0.00 H new ATOM 0 HA ALA A 491 8.108 20.543 14.683 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.733 20.967 12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.387 19.378 13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.259 20.732 13.645 1.00 0.00 H new ATOM 260 N ARG A 492 8.244 22.951 15.342 1.00 0.00 N ATOM 261 CA ARG A 492 8.442 24.399 15.514 1.00 0.00 C ATOM 262 C ARG A 492 8.582 25.139 14.169 1.00 0.00 C ATOM 263 O ARG A 492 8.479 26.366 14.138 1.00 0.00 O ATOM 264 CB ARG A 492 9.665 24.667 16.420 1.00 0.00 C ATOM 265 CG ARG A 492 9.772 23.832 17.713 1.00 0.00 C ATOM 266 CD ARG A 492 8.497 23.746 18.566 1.00 0.00 C ATOM 267 NE ARG A 492 7.968 25.073 18.943 1.00 0.00 N ATOM 268 CZ ARG A 492 8.395 25.860 19.917 1.00 0.00 C ATOM 269 NH1 ARG A 492 9.377 25.524 20.710 1.00 0.00 N ATOM 270 NH2 ARG A 492 7.836 27.021 20.118 1.00 0.00 N ATOM 0 H ARG A 492 9.087 22.405 15.521 1.00 0.00 H new ATOM 0 HA ARG A 492 7.548 24.794 15.996 1.00 0.00 H new ATOM 0 HB2 ARG A 492 10.567 24.498 15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 492 9.658 25.721 16.697 1.00 0.00 H new ATOM 0 HG2 ARG A 492 10.075 22.820 17.444 1.00 0.00 H new ATOM 0 HG3 ARG A 492 10.569 24.251 18.327 1.00 0.00 H new ATOM 0 HD2 ARG A 492 7.733 23.199 18.014 1.00 0.00 H new ATOM 0 HD3 ARG A 492 8.708 23.174 19.470 1.00 0.00 H new ATOM 0 HE ARG A 492 7.185 25.422 18.390 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.845 24.626 20.590 1.00 0.00 H new ATOM 0 HH12 ARG A 492 9.676 26.160 21.449 1.00 0.00 H new ATOM 0 HH21 ARG A 492 7.066 27.326 19.523 1.00 0.00 H new ATOM 0 HH22 ARG A 492 8.169 27.624 20.870 1.00 0.00 H new ATOM 284 N ASN A 493 8.799 24.407 13.065 1.00 0.00 N ATOM 285 CA ASN A 493 9.023 24.944 11.711 1.00 0.00 C ATOM 286 C ASN A 493 8.482 23.996 10.617 1.00 0.00 C ATOM 287 O ASN A 493 8.180 22.832 10.882 1.00 0.00 O ATOM 288 CB ASN A 493 10.538 25.166 11.490 1.00 0.00 C ATOM 289 CG ASN A 493 11.168 26.159 12.454 1.00 0.00 C ATOM 290 OD1 ASN A 493 11.059 27.367 12.285 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.856 25.685 13.471 1.00 0.00 N ATOM 0 H ASN A 493 8.824 23.388 13.090 1.00 0.00 H new ATOM 0 HA ASN A 493 8.483 25.888 11.634 1.00 0.00 H new ATOM 0 HB2 ASN A 493 11.052 24.209 11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.698 25.515 10.470 1.00 0.00 H new ATOM 0 HD21 ASN A 493 12.304 26.325 14.127 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.941 24.677 13.604 1.00 0.00 H new ATOM 298 N SER A 494 8.419 24.470 9.366 1.00 0.00 N ATOM 299 CA SER A 494 8.012 23.664 8.196 1.00 0.00 C ATOM 300 C SER A 494 9.001 22.544 7.817 1.00 0.00 C ATOM 301 O SER A 494 8.620 21.577 7.155 1.00 0.00 O ATOM 302 CB SER A 494 7.799 24.563 6.970 1.00 0.00 C ATOM 303 OG SER A 494 6.910 25.630 7.267 1.00 0.00 O ATOM 0 H SER A 494 8.651 25.435 9.130 1.00 0.00 H new ATOM 0 HA SER A 494 7.083 23.181 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.757 24.965 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.400 23.971 6.146 1.00 0.00 H new ATOM 0 HG SER A 494 6.792 26.189 6.471 1.00 0.00 H new ATOM 309 N SER A 495 10.269 22.660 8.233 1.00 0.00 N ATOM 310 CA SER A 495 11.322 21.650 8.030 1.00 0.00 C ATOM 311 C SER A 495 11.181 20.408 8.921 1.00 0.00 C ATOM 312 O SER A 495 11.791 19.377 8.648 1.00 0.00 O ATOM 313 CB SER A 495 12.695 22.287 8.288 1.00 0.00 C ATOM 314 OG SER A 495 12.733 22.897 9.570 1.00 0.00 O ATOM 0 H SER A 495 10.603 23.483 8.735 1.00 0.00 H new ATOM 0 HA SER A 495 11.220 21.311 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.473 21.527 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.907 23.031 7.520 1.00 0.00 H new ATOM 0 HG SER A 495 13.616 23.296 9.717 1.00 0.00 H new ATOM 320 N GLU A 496 10.370 20.472 9.972 1.00 0.00 N ATOM 321 CA GLU A 496 10.282 19.475 11.042 1.00 0.00 C ATOM 322 C GLU A 496 8.855 18.925 11.202 1.00 0.00 C ATOM 323 O GLU A 496 7.941 19.278 10.450 1.00 0.00 O ATOM 324 CB GLU A 496 10.864 20.046 12.350 1.00 0.00 C ATOM 325 CG GLU A 496 10.327 21.425 12.718 1.00 0.00 C ATOM 326 CD GLU A 496 11.073 22.006 13.931 1.00 0.00 C ATOM 327 OE1 GLU A 496 10.720 21.639 15.070 1.00 0.00 O ATOM 328 OE2 GLU A 496 11.967 22.870 13.748 1.00 0.00 O ATOM 0 H GLU A 496 9.727 21.252 10.111 1.00 0.00 H new ATOM 0 HA GLU A 496 10.891 18.614 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.648 19.354 13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.949 20.102 12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.431 22.098 11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.262 21.356 12.941 1.00 0.00 H new ATOM 335 N LEU A 497 8.679 18.019 12.165 1.00 0.00 N ATOM 336 CA LEU A 497 7.451 17.251 12.381 1.00 0.00 C ATOM 337 C LEU A 497 7.098 17.100 13.870 1.00 0.00 C ATOM 338 O LEU A 497 7.924 17.313 14.757 1.00 0.00 O ATOM 339 CB LEU A 497 7.589 15.862 11.725 1.00 0.00 C ATOM 340 CG LEU A 497 7.537 15.826 10.191 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.823 14.394 9.744 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.182 16.257 9.617 1.00 0.00 C ATOM 0 H LEU A 497 9.411 17.792 12.838 1.00 0.00 H new ATOM 0 HA LEU A 497 6.634 17.806 11.919 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.535 15.425 12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.795 15.222 12.109 1.00 0.00 H new ATOM 0 HG LEU A 497 8.278 16.534 9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.792 14.340 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.810 14.094 10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.071 13.725 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.216 16.208 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.402 15.591 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.964 17.279 9.928 1.00 0.00 H new ATOM 354 N SER A 498 5.836 16.745 14.126 1.00 0.00 N ATOM 355 CA SER A 498 5.231 16.670 15.459 1.00 0.00 C ATOM 356 C SER A 498 4.864 15.217 15.767 1.00 0.00 C ATOM 357 O SER A 498 4.010 14.631 15.093 1.00 0.00 O ATOM 358 CB SER A 498 3.989 17.569 15.498 1.00 0.00 C ATOM 359 OG SER A 498 3.527 17.727 16.827 1.00 0.00 O ATOM 0 H SER A 498 5.184 16.493 13.384 1.00 0.00 H new ATOM 0 HA SER A 498 5.936 17.016 16.215 1.00 0.00 H new ATOM 0 HB2 SER A 498 4.226 18.544 15.072 1.00 0.00 H new ATOM 0 HB3 SER A 498 3.201 17.135 14.883 1.00 0.00 H new ATOM 0 HG SER A 498 2.735 18.305 16.832 1.00 0.00 H new ATOM 365 N VAL A 499 5.536 14.627 16.759 1.00 0.00 N ATOM 366 CA VAL A 499 5.466 13.189 17.077 1.00 0.00 C ATOM 367 C VAL A 499 5.347 12.973 18.583 1.00 0.00 C ATOM 368 O VAL A 499 5.690 13.840 19.387 1.00 0.00 O ATOM 369 CB VAL A 499 6.674 12.401 16.511 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.817 12.531 14.992 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.021 12.796 17.130 1.00 0.00 C ATOM 0 H VAL A 499 6.159 15.143 17.380 1.00 0.00 H new ATOM 0 HA VAL A 499 4.571 12.800 16.592 1.00 0.00 H new ATOM 0 HB VAL A 499 6.442 11.371 16.781 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.681 11.957 14.657 1.00 0.00 H new ATOM 0 HG12 VAL A 499 5.918 12.149 14.508 1.00 0.00 H new ATOM 0 HG13 VAL A 499 6.954 13.580 14.728 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.816 12.200 16.682 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.211 13.853 16.944 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.994 12.616 18.205 1.00 0.00 H new ATOM 381 N LYS A 500 4.890 11.792 18.991 1.00 0.00 N ATOM 382 CA LYS A 500 4.727 11.425 20.402 1.00 0.00 C ATOM 383 C LYS A 500 5.531 10.166 20.687 1.00 0.00 C ATOM 384 O LYS A 500 5.803 9.362 19.796 1.00 0.00 O ATOM 385 CB LYS A 500 3.228 11.264 20.731 1.00 0.00 C ATOM 386 CG LYS A 500 2.449 12.589 20.625 1.00 0.00 C ATOM 387 CD LYS A 500 2.679 13.517 21.832 1.00 0.00 C ATOM 388 CE LYS A 500 2.616 15.007 21.467 1.00 0.00 C ATOM 389 NZ LYS A 500 1.243 15.441 21.086 1.00 0.00 N ATOM 0 H LYS A 500 4.618 11.051 18.345 1.00 0.00 H new ATOM 0 HA LYS A 500 5.110 12.213 21.050 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.788 10.534 20.052 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.123 10.865 21.740 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.746 13.107 19.713 1.00 0.00 H new ATOM 0 HG3 LYS A 500 1.384 12.373 20.537 1.00 0.00 H new ATOM 0 HD2 LYS A 500 1.930 13.304 22.594 1.00 0.00 H new ATOM 0 HD3 LYS A 500 3.652 13.298 22.271 1.00 0.00 H new ATOM 0 HE2 LYS A 500 2.960 15.601 22.314 1.00 0.00 H new ATOM 0 HE3 LYS A 500 3.299 15.205 20.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 1.252 16.453 20.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 0.923 14.895 20.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 0.594 15.278 21.882 1.00 0.00 H new ATOM 403 N GLN A 501 5.927 10.002 21.944 1.00 0.00 N ATOM 404 CA GLN A 501 6.489 8.739 22.413 1.00 0.00 C ATOM 405 C GLN A 501 5.533 7.569 22.139 1.00 0.00 C ATOM 406 O GLN A 501 4.310 7.747 22.091 1.00 0.00 O ATOM 407 CB GLN A 501 6.893 8.821 23.891 1.00 0.00 C ATOM 408 CG GLN A 501 5.812 9.401 24.819 1.00 0.00 C ATOM 409 CD GLN A 501 6.002 8.974 26.275 1.00 0.00 C ATOM 410 OE1 GLN A 501 5.215 8.217 26.831 1.00 0.00 O ATOM 411 NE2 GLN A 501 7.041 9.424 26.949 1.00 0.00 N ATOM 0 H GLN A 501 5.870 10.728 22.658 1.00 0.00 H new ATOM 0 HA GLN A 501 7.400 8.547 21.846 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.154 7.821 24.239 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.792 9.432 23.975 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.830 10.489 24.757 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.830 9.078 24.474 1.00 0.00 H new ATOM 0 HE21 GLN A 501 7.705 10.055 26.501 1.00 0.00 H new ATOM 0 HE22 GLN A 501 7.181 9.141 27.919 1.00 0.00 H new ATOM 420 N ARG A 502 6.111 6.372 21.983 1.00 0.00 N ATOM 421 CA ARG A 502 5.405 5.112 21.688 1.00 0.00 C ATOM 422 C ARG A 502 4.830 5.037 20.254 1.00 0.00 C ATOM 423 O ARG A 502 4.006 4.163 19.968 1.00 0.00 O ATOM 424 CB ARG A 502 4.345 4.785 22.766 1.00 0.00 C ATOM 425 CG ARG A 502 4.731 5.051 24.236 1.00 0.00 C ATOM 426 CD ARG A 502 5.939 4.251 24.734 1.00 0.00 C ATOM 427 NE ARG A 502 5.644 2.807 24.807 1.00 0.00 N ATOM 428 CZ ARG A 502 6.369 1.882 25.415 1.00 0.00 C ATOM 429 NH1 ARG A 502 7.493 2.161 26.016 1.00 0.00 N ATOM 430 NH2 ARG A 502 5.967 0.642 25.434 1.00 0.00 N ATOM 0 H ARG A 502 7.120 6.246 22.061 1.00 0.00 H new ATOM 0 HA ARG A 502 6.164 4.331 21.727 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.447 5.361 22.543 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.080 3.732 22.671 1.00 0.00 H new ATOM 0 HG2 ARG A 502 4.941 6.114 24.356 1.00 0.00 H new ATOM 0 HG3 ARG A 502 3.874 4.822 24.870 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.785 4.416 24.067 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.234 4.613 25.719 1.00 0.00 H new ATOM 0 HE ARG A 502 4.794 2.489 24.341 1.00 0.00 H new ATOM 0 HH11 ARG A 502 7.841 3.120 26.028 1.00 0.00 H new ATOM 0 HH12 ARG A 502 8.024 1.420 26.474 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.092 0.383 24.979 1.00 0.00 H new ATOM 0 HH22 ARG A 502 6.528 -0.069 25.903 1.00 0.00 H new ATOM 444 N ASP A 503 5.276 5.914 19.348 1.00 0.00 N ATOM 445 CA ASP A 503 4.900 5.919 17.921 1.00 0.00 C ATOM 446 C ASP A 503 6.039 5.367 17.047 1.00 0.00 C ATOM 447 O ASP A 503 7.209 5.432 17.433 1.00 0.00 O ATOM 448 CB ASP A 503 4.553 7.344 17.443 1.00 0.00 C ATOM 449 CG ASP A 503 3.214 7.903 17.953 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.365 7.145 18.484 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.978 9.117 17.745 1.00 0.00 O ATOM 0 H ASP A 503 5.926 6.662 19.589 1.00 0.00 H new ATOM 0 HA ASP A 503 4.023 5.280 17.820 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.351 8.018 17.755 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.538 7.350 16.353 1.00 0.00 H new ATOM 456 N VAL A 504 5.708 4.867 15.850 1.00 0.00 N ATOM 457 CA VAL A 504 6.667 4.243 14.915 1.00 0.00 C ATOM 458 C VAL A 504 6.693 5.009 13.593 1.00 0.00 C ATOM 459 O VAL A 504 5.642 5.324 13.026 1.00 0.00 O ATOM 460 CB VAL A 504 6.351 2.752 14.669 1.00 0.00 C ATOM 461 CG1 VAL A 504 7.466 2.062 13.869 1.00 0.00 C ATOM 462 CG2 VAL A 504 6.182 1.985 15.986 1.00 0.00 C ATOM 0 H VAL A 504 4.752 4.882 15.493 1.00 0.00 H new ATOM 0 HA VAL A 504 7.653 4.293 15.377 1.00 0.00 H new ATOM 0 HB VAL A 504 5.419 2.733 14.104 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.209 1.014 13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.578 2.554 12.903 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.404 2.128 14.421 1.00 0.00 H new ATOM 0 HG21 VAL A 504 5.961 0.939 15.772 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.103 2.050 16.566 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.362 2.420 16.558 1.00 0.00 H new ATOM 472 N LEU A 505 7.901 5.307 13.103 1.00 0.00 N ATOM 473 CA LEU A 505 8.140 6.157 11.927 1.00 0.00 C ATOM 474 C LEU A 505 9.152 5.491 10.982 1.00 0.00 C ATOM 475 O LEU A 505 10.086 4.821 11.429 1.00 0.00 O ATOM 476 CB LEU A 505 8.631 7.553 12.370 1.00 0.00 C ATOM 477 CG LEU A 505 7.782 8.234 13.470 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.522 9.451 14.009 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.410 8.715 12.983 1.00 0.00 C ATOM 0 H LEU A 505 8.762 4.956 13.522 1.00 0.00 H new ATOM 0 HA LEU A 505 7.203 6.281 11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.656 7.462 12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.656 8.205 11.497 1.00 0.00 H new ATOM 0 HG LEU A 505 7.624 7.472 14.234 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.922 9.928 14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.477 9.139 14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.698 10.158 13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.874 9.181 13.809 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.543 9.441 12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.837 7.865 12.612 1.00 0.00 H new ATOM 491 N GLU A 506 8.973 5.683 9.674 1.00 0.00 N ATOM 492 CA GLU A 506 9.900 5.211 8.639 1.00 0.00 C ATOM 493 C GLU A 506 10.957 6.288 8.357 1.00 0.00 C ATOM 494 O GLU A 506 10.628 7.366 7.859 1.00 0.00 O ATOM 495 CB GLU A 506 9.120 4.861 7.359 1.00 0.00 C ATOM 496 CG GLU A 506 10.039 4.357 6.232 1.00 0.00 C ATOM 497 CD GLU A 506 9.285 3.946 4.948 1.00 0.00 C ATOM 498 OE1 GLU A 506 8.050 4.159 4.836 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.939 3.400 4.028 1.00 0.00 O ATOM 0 H GLU A 506 8.166 6.179 9.296 1.00 0.00 H new ATOM 0 HA GLU A 506 10.408 4.312 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.377 4.097 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.577 5.741 7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.758 5.138 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.610 3.503 6.596 1.00 0.00 H new ATOM 506 N VAL A 507 12.220 6.003 8.677 1.00 0.00 N ATOM 507 CA VAL A 507 13.370 6.845 8.317 1.00 0.00 C ATOM 508 C VAL A 507 13.704 6.673 6.830 1.00 0.00 C ATOM 509 O VAL A 507 13.560 5.589 6.260 1.00 0.00 O ATOM 510 CB VAL A 507 14.614 6.491 9.167 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.777 7.447 8.901 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.344 6.445 10.673 1.00 0.00 C ATOM 0 H VAL A 507 12.481 5.168 9.202 1.00 0.00 H new ATOM 0 HA VAL A 507 13.099 7.882 8.516 1.00 0.00 H new ATOM 0 HB VAL A 507 14.882 5.484 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.630 7.163 9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 507 16.057 7.396 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.475 8.465 9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.264 6.191 11.200 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.991 7.420 11.009 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.585 5.692 10.884 1.00 0.00 H new ATOM 522 N LEU A 508 14.196 7.754 6.231 1.00 0.00 N ATOM 523 CA LEU A 508 14.555 7.927 4.825 1.00 0.00 C ATOM 524 C LEU A 508 16.003 8.437 4.644 1.00 0.00 C ATOM 525 O LEU A 508 16.584 8.256 3.572 1.00 0.00 O ATOM 526 CB LEU A 508 13.579 8.912 4.154 1.00 0.00 C ATOM 527 CG LEU A 508 12.073 8.778 4.465 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.319 9.912 3.773 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.463 7.465 3.981 1.00 0.00 C ATOM 0 H LEU A 508 14.369 8.607 6.763 1.00 0.00 H new ATOM 0 HA LEU A 508 14.489 6.947 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.886 9.922 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.705 8.821 3.075 1.00 0.00 H new ATOM 0 HG LEU A 508 11.981 8.813 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.254 9.825 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.686 10.870 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.478 9.851 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.403 7.441 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.580 7.386 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.970 6.629 4.463 1.00 0.00 H new ATOM 541 N ASP A 509 16.601 9.050 5.675 1.00 0.00 N ATOM 542 CA ASP A 509 18.011 9.484 5.691 1.00 0.00 C ATOM 543 C ASP A 509 18.570 9.482 7.123 1.00 0.00 C ATOM 544 O ASP A 509 17.907 9.967 8.036 1.00 0.00 O ATOM 545 CB ASP A 509 18.133 10.908 5.134 1.00 0.00 C ATOM 546 CG ASP A 509 18.118 10.968 3.603 1.00 0.00 C ATOM 547 OD1 ASP A 509 19.112 10.528 2.975 1.00 0.00 O ATOM 548 OD2 ASP A 509 17.149 11.519 3.023 1.00 0.00 O ATOM 0 H ASP A 509 16.109 9.264 6.543 1.00 0.00 H new ATOM 0 HA ASP A 509 18.577 8.785 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.313 11.513 5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.058 11.354 5.498 1.00 0.00 H new ATOM 553 N ASP A 510 19.794 8.977 7.313 1.00 0.00 N ATOM 554 CA ASP A 510 20.372 8.661 8.635 1.00 0.00 C ATOM 555 C ASP A 510 21.897 8.921 8.723 1.00 0.00 C ATOM 556 O ASP A 510 22.672 8.105 9.234 1.00 0.00 O ATOM 557 CB ASP A 510 19.952 7.243 9.069 1.00 0.00 C ATOM 558 CG ASP A 510 20.084 6.178 7.965 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.208 5.944 7.453 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.060 5.546 7.609 1.00 0.00 O ATOM 0 H ASP A 510 20.427 8.771 6.541 1.00 0.00 H new ATOM 0 HA ASP A 510 19.955 9.361 9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.559 6.942 9.923 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.917 7.271 9.409 1.00 0.00 H new ATOM 565 N SER A 511 22.332 10.088 8.227 1.00 0.00 N ATOM 566 CA SER A 511 23.750 10.492 8.115 1.00 0.00 C ATOM 567 C SER A 511 24.102 11.755 8.936 1.00 0.00 C ATOM 568 O SER A 511 25.216 12.282 8.845 1.00 0.00 O ATOM 569 CB SER A 511 24.085 10.669 6.623 1.00 0.00 C ATOM 570 OG SER A 511 25.479 10.557 6.375 1.00 0.00 O ATOM 0 H SER A 511 21.691 10.802 7.881 1.00 0.00 H new ATOM 0 HA SER A 511 24.365 9.704 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.551 9.918 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.734 11.644 6.285 1.00 0.00 H new ATOM 0 HG SER A 511 25.974 11.059 7.056 1.00 0.00 H new ATOM 576 N ARG A 512 23.154 12.264 9.744 1.00 0.00 N ATOM 577 CA ARG A 512 23.240 13.534 10.502 1.00 0.00 C ATOM 578 C ARG A 512 22.584 13.426 11.892 1.00 0.00 C ATOM 579 O ARG A 512 21.990 12.401 12.230 1.00 0.00 O ATOM 580 CB ARG A 512 22.581 14.668 9.679 1.00 0.00 C ATOM 581 CG ARG A 512 23.177 14.866 8.276 1.00 0.00 C ATOM 582 CD ARG A 512 22.597 16.112 7.598 1.00 0.00 C ATOM 583 NE ARG A 512 22.978 16.148 6.171 1.00 0.00 N ATOM 584 CZ ARG A 512 22.235 16.537 5.145 1.00 0.00 C ATOM 585 NH1 ARG A 512 21.029 17.020 5.286 1.00 0.00 N ATOM 586 NH2 ARG A 512 22.702 16.444 3.930 1.00 0.00 N ATOM 0 H ARG A 512 22.267 11.784 9.896 1.00 0.00 H new ATOM 0 HA ARG A 512 24.294 13.760 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.516 14.457 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.671 15.602 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.261 14.959 8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 512 22.973 13.987 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.511 16.112 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 512 22.960 17.009 8.100 1.00 0.00 H new ATOM 0 HE ARG A 512 23.924 15.837 5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 512 20.622 17.111 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 512 20.495 17.306 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 512 23.638 16.072 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 512 22.131 16.743 3.140 1.00 0.00 H new ATOM 600 N LYS A 513 22.644 14.512 12.678 1.00 0.00 N ATOM 601 CA LYS A 513 21.961 14.674 13.986 1.00 0.00 C ATOM 602 C LYS A 513 20.424 14.623 13.909 1.00 0.00 C ATOM 603 O LYS A 513 19.758 14.378 14.913 1.00 0.00 O ATOM 604 CB LYS A 513 22.367 16.025 14.607 1.00 0.00 C ATOM 605 CG LYS A 513 23.858 16.220 14.914 1.00 0.00 C ATOM 606 CD LYS A 513 24.358 15.356 16.079 1.00 0.00 C ATOM 607 CE LYS A 513 25.786 15.788 16.441 1.00 0.00 C ATOM 608 NZ LYS A 513 26.357 14.959 17.538 1.00 0.00 N ATOM 0 H LYS A 513 23.187 15.335 12.418 1.00 0.00 H new ATOM 0 HA LYS A 513 22.278 13.827 14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.052 16.819 13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.808 16.155 15.534 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.439 15.985 14.022 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.039 17.270 15.146 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.700 15.468 16.941 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.342 14.302 15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.423 15.712 15.560 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.783 16.836 16.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.322 15.283 17.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 25.764 15.052 18.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.384 13.962 17.242 1.00 0.00 H new ATOM 622 N TRP A 514 19.850 14.861 12.731 1.00 0.00 N ATOM 623 CA TRP A 514 18.406 14.823 12.487 1.00 0.00 C ATOM 624 C TRP A 514 18.124 13.937 11.280 1.00 0.00 C ATOM 625 O TRP A 514 18.757 14.095 10.231 1.00 0.00 O ATOM 626 CB TRP A 514 17.860 16.235 12.247 1.00 0.00 C ATOM 627 CG TRP A 514 17.829 17.152 13.435 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.895 17.628 14.120 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.662 17.741 14.082 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.469 18.397 15.186 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.095 18.473 15.229 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.280 17.737 13.806 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.194 19.099 16.100 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.369 18.401 14.641 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.820 19.065 15.798 1.00 0.00 C ATOM 0 H TRP A 514 20.389 15.092 11.897 1.00 0.00 H new ATOM 0 HA TRP A 514 17.907 14.413 13.365 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.461 16.705 11.469 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.846 16.147 11.857 1.00 0.00 H new ATOM 0 HD1 TRP A 514 19.928 17.435 13.870 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.092 18.850 15.855 1.00 0.00 H new ATOM 0 HE3 TRP A 514 14.915 17.213 12.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.548 19.600 16.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.317 18.403 14.395 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.111 19.548 16.454 1.00 0.00 H new ATOM 646 N TRP A 515 17.193 12.995 11.432 1.00 0.00 N ATOM 647 CA TRP A 515 16.860 12.035 10.377 1.00 0.00 C ATOM 648 C TRP A 515 15.570 12.455 9.674 1.00 0.00 C ATOM 649 O TRP A 515 14.624 12.937 10.309 1.00 0.00 O ATOM 650 CB TRP A 515 16.806 10.598 10.925 1.00 0.00 C ATOM 651 CG TRP A 515 18.077 10.044 11.516 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.284 10.655 11.598 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.294 8.709 12.059 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.212 9.799 12.155 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.661 8.575 12.450 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.468 7.581 12.225 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.180 7.385 12.982 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.974 6.379 12.758 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.325 6.282 13.143 1.00 0.00 C ATOM 0 H TRP A 515 16.649 12.875 12.287 1.00 0.00 H new ATOM 0 HA TRP A 515 17.652 12.039 9.628 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.030 10.556 11.689 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.493 9.938 10.116 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.490 11.665 11.275 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.187 10.045 12.327 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.428 7.638 11.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.221 7.318 13.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.321 5.526 12.872 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.703 5.361 13.561 1.00 0.00 H new ATOM 670 N LYS A 516 15.541 12.292 8.345 1.00 0.00 N ATOM 671 CA LYS A 516 14.348 12.497 7.539 1.00 0.00 C ATOM 672 C LYS A 516 13.486 11.271 7.735 1.00 0.00 C ATOM 673 O LYS A 516 13.909 10.179 7.381 1.00 0.00 O ATOM 674 CB LYS A 516 14.716 12.733 6.066 1.00 0.00 C ATOM 675 CG LYS A 516 13.486 13.171 5.260 1.00 0.00 C ATOM 676 CD LYS A 516 13.850 13.546 3.819 1.00 0.00 C ATOM 677 CE LYS A 516 12.593 13.928 3.028 1.00 0.00 C ATOM 678 NZ LYS A 516 12.921 14.362 1.641 1.00 0.00 N ATOM 0 H LYS A 516 16.357 12.011 7.801 1.00 0.00 H new ATOM 0 HA LYS A 516 13.801 13.389 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.491 13.496 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.130 11.819 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.752 12.365 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.016 14.024 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.553 14.379 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.351 12.708 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.914 13.076 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.068 14.731 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.045 14.612 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.548 15.191 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.399 13.587 1.139 1.00 0.00 H new ATOM 692 N VAL A 517 12.319 11.436 8.337 1.00 0.00 N ATOM 693 CA VAL A 517 11.342 10.363 8.569 1.00 0.00 C ATOM 694 C VAL A 517 9.959 10.751 8.038 1.00 0.00 C ATOM 695 O VAL A 517 9.750 11.884 7.589 1.00 0.00 O ATOM 696 CB VAL A 517 11.274 9.933 10.058 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.645 9.758 10.716 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.483 10.910 10.932 1.00 0.00 C ATOM 0 H VAL A 517 12.009 12.341 8.690 1.00 0.00 H new ATOM 0 HA VAL A 517 11.689 9.494 8.009 1.00 0.00 H new ATOM 0 HB VAL A 517 10.766 8.970 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.514 9.457 11.755 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.209 8.991 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.190 10.701 10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.473 10.552 11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.952 11.893 10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.460 10.982 10.563 1.00 0.00 H new ATOM 708 N ARG A 518 8.997 9.824 8.124 1.00 0.00 N ATOM 709 CA ARG A 518 7.595 10.043 7.743 1.00 0.00 C ATOM 710 C ARG A 518 6.636 9.552 8.828 1.00 0.00 C ATOM 711 O ARG A 518 6.746 8.412 9.285 1.00 0.00 O ATOM 712 CB ARG A 518 7.354 9.391 6.373 1.00 0.00 C ATOM 713 CG ARG A 518 5.948 9.657 5.812 1.00 0.00 C ATOM 714 CD ARG A 518 5.850 9.295 4.325 1.00 0.00 C ATOM 715 NE ARG A 518 5.796 7.839 4.094 1.00 0.00 N ATOM 716 CZ ARG A 518 5.757 7.246 2.911 1.00 0.00 C ATOM 717 NH1 ARG A 518 5.783 7.922 1.792 1.00 0.00 N ATOM 718 NH2 ARG A 518 5.685 5.948 2.825 1.00 0.00 N ATOM 0 H ARG A 518 9.175 8.880 8.468 1.00 0.00 H new ATOM 0 HA ARG A 518 7.392 11.110 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.096 9.762 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.506 8.315 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.216 9.078 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.696 10.709 5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.960 9.759 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.708 9.711 3.797 1.00 0.00 H new ATOM 0 HE ARG A 518 5.788 7.237 4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.835 8.940 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.751 7.431 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 518 5.658 5.381 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.655 5.498 1.910 1.00 0.00 H new ATOM 732 N ASP A 519 5.705 10.415 9.241 1.00 0.00 N ATOM 733 CA ASP A 519 4.620 10.048 10.158 1.00 0.00 C ATOM 734 C ASP A 519 3.613 9.096 9.487 1.00 0.00 C ATOM 735 O ASP A 519 3.443 9.136 8.263 1.00 0.00 O ATOM 736 CB ASP A 519 3.904 11.305 10.663 1.00 0.00 C ATOM 737 CG ASP A 519 4.469 11.837 11.984 1.00 0.00 C ATOM 738 OD1 ASP A 519 5.395 12.677 11.946 1.00 0.00 O ATOM 739 OD2 ASP A 519 3.941 11.438 13.051 1.00 0.00 O ATOM 0 H ASP A 519 5.681 11.392 8.949 1.00 0.00 H new ATOM 0 HA ASP A 519 5.062 9.524 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.977 12.085 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 519 2.845 11.084 10.792 1.00 0.00 H new ATOM 744 N PRO A 520 2.864 8.296 10.272 1.00 0.00 N ATOM 745 CA PRO A 520 1.893 7.333 9.753 1.00 0.00 C ATOM 746 C PRO A 520 0.688 7.995 9.045 1.00 0.00 C ATOM 747 O PRO A 520 -0.071 7.320 8.344 1.00 0.00 O ATOM 748 CB PRO A 520 1.457 6.505 10.967 1.00 0.00 C ATOM 749 CG PRO A 520 1.650 7.464 12.141 1.00 0.00 C ATOM 750 CD PRO A 520 2.877 8.271 11.725 1.00 0.00 C ATOM 0 HA PRO A 520 2.344 6.717 8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.420 6.181 10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 520 2.064 5.606 11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.778 8.102 12.289 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.816 6.929 13.076 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.837 9.281 12.133 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.792 7.812 12.100 1.00 0.00 H new ATOM 758 N ALA A 521 0.516 9.314 9.209 1.00 0.00 N ATOM 759 CA ALA A 521 -0.502 10.130 8.549 1.00 0.00 C ATOM 760 C ALA A 521 -0.088 10.594 7.135 1.00 0.00 C ATOM 761 O ALA A 521 -0.931 11.081 6.376 1.00 0.00 O ATOM 762 CB ALA A 521 -0.763 11.346 9.445 1.00 0.00 C ATOM 0 H ALA A 521 1.110 9.861 9.833 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.399 9.525 8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.520 11.981 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.115 11.010 10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 521 0.160 11.912 9.568 1.00 0.00 H new ATOM 768 N GLY A 522 1.199 10.463 6.778 1.00 0.00 N ATOM 769 CA GLY A 522 1.717 10.784 5.445 1.00 0.00 C ATOM 770 C GLY A 522 2.552 12.062 5.342 1.00 0.00 C ATOM 771 O GLY A 522 2.529 12.717 4.297 1.00 0.00 O ATOM 0 H GLY A 522 1.917 10.126 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.325 9.947 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.874 10.868 4.759 1.00 0.00 H new ATOM 775 N GLN A 523 3.250 12.449 6.412 1.00 0.00 N ATOM 776 CA GLN A 523 3.947 13.740 6.509 1.00 0.00 C ATOM 777 C GLN A 523 5.453 13.540 6.672 1.00 0.00 C ATOM 778 O GLN A 523 5.873 12.793 7.552 1.00 0.00 O ATOM 779 CB GLN A 523 3.416 14.518 7.718 1.00 0.00 C ATOM 780 CG GLN A 523 1.896 14.684 7.723 1.00 0.00 C ATOM 781 CD GLN A 523 1.450 15.861 8.592 1.00 0.00 C ATOM 782 OE1 GLN A 523 0.935 16.863 8.107 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.642 15.808 9.895 1.00 0.00 N ATOM 0 H GLN A 523 3.350 11.871 7.246 1.00 0.00 H new ATOM 0 HA GLN A 523 3.764 14.296 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.720 14.005 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.880 15.504 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.544 14.834 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.433 13.768 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 523 2.069 14.982 10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 523 1.364 16.593 10.484 1.00 0.00 H new ATOM 792 N GLU A 524 6.256 14.224 5.858 1.00 0.00 N ATOM 793 CA GLU A 524 7.724 14.136 5.860 1.00 0.00 C ATOM 794 C GLU A 524 8.379 15.459 6.292 1.00 0.00 C ATOM 795 O GLU A 524 7.859 16.558 6.067 1.00 0.00 O ATOM 796 CB GLU A 524 8.251 13.751 4.469 1.00 0.00 C ATOM 797 CG GLU A 524 7.753 12.393 3.958 1.00 0.00 C ATOM 798 CD GLU A 524 7.729 12.349 2.417 1.00 0.00 C ATOM 799 OE1 GLU A 524 8.812 12.359 1.782 1.00 0.00 O ATOM 800 OE2 GLU A 524 6.621 12.305 1.825 1.00 0.00 O ATOM 0 H GLU A 524 5.898 14.874 5.158 1.00 0.00 H new ATOM 0 HA GLU A 524 7.989 13.364 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.960 14.523 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.341 13.738 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.399 11.601 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.752 12.201 4.345 1.00 0.00 H new ATOM 807 N GLY A 525 9.549 15.330 6.911 1.00 0.00 N ATOM 808 CA GLY A 525 10.329 16.404 7.521 1.00 0.00 C ATOM 809 C GLY A 525 11.474 15.803 8.331 1.00 0.00 C ATOM 810 O GLY A 525 11.836 14.639 8.118 1.00 0.00 O ATOM 0 H GLY A 525 10.004 14.422 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.723 17.065 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.692 17.010 8.165 1.00 0.00 H new ATOM 814 N TYR A 526 12.000 16.576 9.288 1.00 0.00 N ATOM 815 CA TYR A 526 13.112 16.163 10.145 1.00 0.00 C ATOM 816 C TYR A 526 12.712 16.043 11.622 1.00 0.00 C ATOM 817 O TYR A 526 11.891 16.813 12.128 1.00 0.00 O ATOM 818 CB TYR A 526 14.272 17.147 9.961 1.00 0.00 C ATOM 819 CG TYR A 526 14.918 17.117 8.585 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.714 16.019 8.205 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.760 18.204 7.702 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.373 16.021 6.958 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.413 18.209 6.455 1.00 0.00 C ATOM 824 CZ TYR A 526 16.229 17.120 6.082 1.00 0.00 C ATOM 825 OH TYR A 526 16.873 17.139 4.882 1.00 0.00 O ATOM 0 H TYR A 526 11.660 17.516 9.490 1.00 0.00 H new ATOM 0 HA TYR A 526 13.423 15.163 9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.909 18.156 10.155 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.034 16.933 10.710 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.820 15.174 8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.134 19.038 7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.989 15.181 6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.289 19.046 5.784 1.00 0.00 H new ATOM 0 HH TYR A 526 16.659 17.970 4.409 1.00 0.00 H new ATOM 835 N VAL A 527 13.340 15.092 12.321 1.00 0.00 N ATOM 836 CA VAL A 527 13.205 14.864 13.772 1.00 0.00 C ATOM 837 C VAL A 527 14.573 14.534 14.401 1.00 0.00 C ATOM 838 O VAL A 527 15.451 14.005 13.711 1.00 0.00 O ATOM 839 CB VAL A 527 12.192 13.737 14.084 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.758 14.125 13.716 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.536 12.426 13.381 1.00 0.00 C ATOM 0 H VAL A 527 13.981 14.433 11.880 1.00 0.00 H new ATOM 0 HA VAL A 527 12.825 15.787 14.210 1.00 0.00 H new ATOM 0 HB VAL A 527 12.260 13.590 15.162 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.086 13.301 13.954 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.464 15.009 14.282 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.702 14.342 12.649 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.792 11.671 13.635 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.540 12.582 12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.521 12.088 13.703 1.00 0.00 H new ATOM 851 N PRO A 528 14.783 14.830 15.699 1.00 0.00 N ATOM 852 CA PRO A 528 16.062 14.612 16.370 1.00 0.00 C ATOM 853 C PRO A 528 16.347 13.118 16.555 1.00 0.00 C ATOM 854 O PRO A 528 15.528 12.391 17.117 1.00 0.00 O ATOM 855 CB PRO A 528 15.918 15.340 17.713 1.00 0.00 C ATOM 856 CG PRO A 528 14.420 15.317 18.002 1.00 0.00 C ATOM 857 CD PRO A 528 13.829 15.455 16.607 1.00 0.00 C ATOM 0 HA PRO A 528 16.905 14.990 15.792 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.482 14.838 18.499 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.295 16.361 17.653 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.112 14.390 18.486 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.118 16.135 18.656 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.856 14.967 16.546 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.676 16.503 16.351 1.00 0.00 H new ATOM 865 N TYR A 529 17.536 12.648 16.165 1.00 0.00 N ATOM 866 CA TYR A 529 17.925 11.235 16.351 1.00 0.00 C ATOM 867 C TYR A 529 17.930 10.775 17.821 1.00 0.00 C ATOM 868 O TYR A 529 17.848 9.579 18.094 1.00 0.00 O ATOM 869 CB TYR A 529 19.285 10.946 15.696 1.00 0.00 C ATOM 870 CG TYR A 529 20.521 11.223 16.550 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.696 12.477 17.165 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.485 10.217 16.755 1.00 0.00 C ATOM 873 CE1 TYR A 529 21.813 12.745 17.979 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.605 10.467 17.575 1.00 0.00 C ATOM 875 CZ TYR A 529 22.769 11.727 18.194 1.00 0.00 C ATOM 876 OH TYR A 529 23.841 11.946 19.003 1.00 0.00 O ATOM 0 H TYR A 529 18.251 13.222 15.717 1.00 0.00 H new ATOM 0 HA TYR A 529 17.150 10.653 15.852 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.304 9.898 15.396 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.359 11.540 14.785 1.00 0.00 H new ATOM 0 HD1 TYR A 529 19.958 13.250 17.009 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.366 9.253 16.284 1.00 0.00 H new ATOM 0 HE1 TYR A 529 21.938 13.717 18.434 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.341 9.692 17.731 1.00 0.00 H new ATOM 0 HH TYR A 529 24.395 11.138 19.038 1.00 0.00 H new ATOM 886 N ASN A 530 17.995 11.716 18.774 1.00 0.00 N ATOM 887 CA ASN A 530 18.026 11.419 20.208 1.00 0.00 C ATOM 888 C ASN A 530 16.737 10.715 20.683 1.00 0.00 C ATOM 889 O ASN A 530 16.792 9.803 21.512 1.00 0.00 O ATOM 890 CB ASN A 530 18.283 12.745 20.949 1.00 0.00 C ATOM 891 CG ASN A 530 18.823 12.557 22.360 1.00 0.00 C ATOM 892 OD1 ASN A 530 18.479 11.645 23.096 1.00 0.00 O ATOM 893 ND2 ASN A 530 19.703 13.429 22.786 1.00 0.00 N ATOM 0 H ASN A 530 18.028 12.714 18.566 1.00 0.00 H new ATOM 0 HA ASN A 530 18.827 10.713 20.429 1.00 0.00 H new ATOM 0 HB2 ASN A 530 18.991 13.342 20.374 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.353 13.312 20.997 1.00 0.00 H new ATOM 0 HD21 ASN A 530 20.094 13.342 23.724 1.00 0.00 H new ATOM 0 HD22 ASN A 530 19.997 14.194 22.180 1.00 0.00 H new ATOM 900 N ILE A 531 15.578 11.087 20.112 1.00 0.00 N ATOM 901 CA ILE A 531 14.282 10.468 20.447 1.00 0.00 C ATOM 902 C ILE A 531 13.999 9.214 19.606 1.00 0.00 C ATOM 903 O ILE A 531 12.984 8.564 19.835 1.00 0.00 O ATOM 904 CB ILE A 531 13.100 11.476 20.399 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.603 11.749 18.959 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.487 12.779 21.127 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.476 12.779 18.844 1.00 0.00 C ATOM 0 H ILE A 531 15.512 11.822 19.408 1.00 0.00 H new ATOM 0 HA ILE A 531 14.367 10.144 21.484 1.00 0.00 H new ATOM 0 HB ILE A 531 12.258 11.021 20.920 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.447 12.089 18.358 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.261 10.809 18.525 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.653 13.479 21.088 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.727 12.557 22.167 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.356 13.223 20.641 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.199 12.900 17.797 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.611 12.436 19.411 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.815 13.735 19.242 1.00 0.00 H new ATOM 919 N LEU A 532 14.854 8.875 18.633 1.00 0.00 N ATOM 920 CA LEU A 532 14.666 7.721 17.755 1.00 0.00 C ATOM 921 C LEU A 532 15.525 6.537 18.226 1.00 0.00 C ATOM 922 O LEU A 532 16.755 6.639 18.282 1.00 0.00 O ATOM 923 CB LEU A 532 15.027 8.119 16.313 1.00 0.00 C ATOM 924 CG LEU A 532 14.228 9.289 15.709 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.674 9.485 14.256 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.712 9.095 15.777 1.00 0.00 C ATOM 0 H LEU A 532 15.704 9.402 18.434 1.00 0.00 H new ATOM 0 HA LEU A 532 13.623 7.407 17.789 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.086 8.376 16.284 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.893 7.247 15.673 1.00 0.00 H new ATOM 0 HG LEU A 532 14.440 10.176 16.307 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.117 10.311 13.813 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.740 9.711 14.230 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.482 8.573 13.690 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.215 9.958 15.334 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.435 8.195 15.228 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.404 8.994 16.818 1.00 0.00 H new ATOM 938 N THR A 533 14.894 5.392 18.503 1.00 0.00 N ATOM 939 CA THR A 533 15.597 4.135 18.824 1.00 0.00 C ATOM 940 C THR A 533 15.356 3.079 17.732 1.00 0.00 C ATOM 941 O THR A 533 14.227 2.971 17.240 1.00 0.00 O ATOM 942 CB THR A 533 15.240 3.623 20.235 1.00 0.00 C ATOM 943 OG1 THR A 533 16.006 2.487 20.565 1.00 0.00 O ATOM 944 CG2 THR A 533 13.782 3.215 20.431 1.00 0.00 C ATOM 0 H THR A 533 13.878 5.305 18.512 1.00 0.00 H new ATOM 0 HA THR A 533 16.667 4.341 18.840 1.00 0.00 H new ATOM 0 HB THR A 533 15.448 4.481 20.874 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.765 2.180 21.464 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.635 2.870 21.455 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.136 4.072 20.240 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.533 2.411 19.738 1.00 0.00 H new ATOM 952 N PRO A 534 16.385 2.305 17.317 1.00 0.00 N ATOM 953 CA PRO A 534 16.246 1.237 16.325 1.00 0.00 C ATOM 954 C PRO A 534 15.298 0.149 16.848 1.00 0.00 C ATOM 955 O PRO A 534 15.623 -0.563 17.802 1.00 0.00 O ATOM 956 CB PRO A 534 17.666 0.720 16.061 1.00 0.00 C ATOM 957 CG PRO A 534 18.424 1.060 17.343 1.00 0.00 C ATOM 958 CD PRO A 534 17.761 2.356 17.800 1.00 0.00 C ATOM 0 HA PRO A 534 15.802 1.586 15.393 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.671 -0.352 15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.113 1.204 15.192 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.328 0.272 18.090 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.490 1.195 17.158 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.789 2.445 18.886 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.283 3.223 17.396 1.00 0.00 H new