USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 514 ASN : amide:sc= -0.5 K(o=-0.56,f=-5.1) USER MOD Set 1.2: A 548 MET CE :methyl 168:sc= -0.0554 (180deg=0) USER MOD Single : A 508 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -7.28! C(o=-7.3!,f=-18!) USER MOD Single : A 516 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.22) USER MOD Single : A 517 TYR OH : rot 167:sc= -3.48! USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot 180:sc= 0 USER MOD Single : A 521 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.064) USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 549 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-5.7!) USER MOD Single : A 550 ASN : amide:sc= -2.47 K(o=-2.5,f=-5.4!) USER MOD Single : A 551 GLN : amide:sc= -5.02 K(o=-5,f=-3.2) USER MOD Single : A 560 GLN : amide:sc= -0.595 K(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -19.051 1.823 3.621 1.00 0.00 N ATOM 2 CA ALA A 507 -18.404 0.487 3.555 1.00 0.00 C ATOM 3 C ALA A 507 -17.304 0.464 2.499 1.00 0.00 C ATOM 4 O ALA A 507 -17.376 1.173 1.496 1.00 0.00 O ATOM 5 CB ALA A 507 -19.442 -0.586 3.259 1.00 0.00 C ATOM 0 HA ALA A 507 -17.949 0.281 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -18.955 -1.560 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -20.194 -0.593 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -19.921 -0.375 2.303 1.00 0.00 H new ATOM 13 N GLN A 508 -16.285 -0.358 2.733 1.00 0.00 N ATOM 14 CA GLN A 508 -15.168 -0.476 1.802 1.00 0.00 C ATOM 15 C GLN A 508 -15.583 -1.244 0.550 1.00 0.00 C ATOM 16 O GLN A 508 -16.700 -1.756 0.467 1.00 0.00 O ATOM 17 CB GLN A 508 -13.986 -1.174 2.479 1.00 0.00 C ATOM 18 CG GLN A 508 -12.916 -0.214 2.972 1.00 0.00 C ATOM 19 CD GLN A 508 -13.329 0.528 4.227 1.00 0.00 C ATOM 20 OE1 GLN A 508 -12.894 0.198 5.330 1.00 0.00 O ATOM 21 NE2 GLN A 508 -14.175 1.538 4.064 1.00 0.00 N ATOM 0 H GLN A 508 -16.210 -0.952 3.559 1.00 0.00 H new ATOM 0 HA GLN A 508 -14.865 0.528 1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -14.354 -1.759 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -13.537 -1.876 1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -11.999 -0.769 3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -12.691 0.507 2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -14.510 1.777 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -14.490 2.075 4.872 1.00 0.00 H new ATOM 30 N PRO A 509 -14.685 -1.333 -0.447 1.00 0.00 N ATOM 31 CA PRO A 509 -14.947 -2.030 -1.692 1.00 0.00 C ATOM 32 C PRO A 509 -14.451 -3.471 -1.666 1.00 0.00 C ATOM 33 O PRO A 509 -14.276 -4.101 -2.709 1.00 0.00 O ATOM 34 CB PRO A 509 -14.154 -1.199 -2.698 1.00 0.00 C ATOM 35 CG PRO A 509 -13.009 -0.616 -1.919 1.00 0.00 C ATOM 36 CD PRO A 509 -13.336 -0.760 -0.448 1.00 0.00 C ATOM 0 HA PRO A 509 -16.010 -2.112 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.795 -1.816 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.773 -0.414 -3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.080 -1.134 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.864 0.433 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -12.624 -1.411 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -13.309 0.202 0.064 1.00 0.00 H new ATOM 44 N LYS A 510 -14.236 -3.985 -0.462 1.00 0.00 N ATOM 45 CA LYS A 510 -13.767 -5.351 -0.281 1.00 0.00 C ATOM 46 C LYS A 510 -12.482 -5.609 -1.067 1.00 0.00 C ATOM 47 O LYS A 510 -12.377 -6.593 -1.801 1.00 0.00 O ATOM 48 CB LYS A 510 -14.854 -6.334 -0.711 1.00 0.00 C ATOM 49 CG LYS A 510 -15.805 -6.714 0.412 1.00 0.00 C ATOM 50 CD LYS A 510 -16.901 -7.649 -0.077 1.00 0.00 C ATOM 51 CE LYS A 510 -18.198 -6.900 -0.343 1.00 0.00 C ATOM 52 NZ LYS A 510 -19.328 -7.449 0.455 1.00 0.00 N ATOM 0 H LYS A 510 -14.380 -3.472 0.408 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.545 -5.496 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.426 -5.896 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -14.383 -7.237 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -15.247 -7.195 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -16.254 -5.813 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -16.574 -8.148 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -17.075 -8.427 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -18.064 -5.845 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -18.440 -6.959 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -20.194 -6.912 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -19.473 -8.449 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -19.108 -7.370 1.468 1.00 0.00 H new ATOM 66 N CYS A 511 -11.506 -4.723 -0.905 1.00 0.00 N ATOM 67 CA CYS A 511 -10.228 -4.856 -1.595 1.00 0.00 C ATOM 68 C CYS A 511 -9.214 -3.860 -1.043 1.00 0.00 C ATOM 69 O CYS A 511 -8.500 -3.198 -1.797 1.00 0.00 O ATOM 70 CB CYS A 511 -10.404 -4.650 -3.102 1.00 0.00 C ATOM 71 SG CYS A 511 -11.604 -3.352 -3.546 1.00 0.00 S ATOM 0 H CYS A 511 -11.575 -3.904 -0.301 1.00 0.00 H new ATOM 0 HA CYS A 511 -9.853 -5.865 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -9.437 -4.399 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -10.722 -5.591 -3.551 1.00 0.00 H new ATOM 76 N ASN A 512 -9.159 -3.759 0.281 1.00 0.00 N ATOM 77 CA ASN A 512 -8.236 -2.848 0.944 1.00 0.00 C ATOM 78 C ASN A 512 -7.295 -3.615 1.868 1.00 0.00 C ATOM 79 O ASN A 512 -7.740 -4.449 2.657 1.00 0.00 O ATOM 80 CB ASN A 512 -9.014 -1.803 1.747 1.00 0.00 C ATOM 81 CG ASN A 512 -10.057 -1.090 0.910 1.00 0.00 C ATOM 82 OD1 ASN A 512 -10.420 -1.547 -0.173 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.544 0.040 1.410 1.00 0.00 N ATOM 0 H ASN A 512 -9.745 -4.299 0.917 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.642 -2.345 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.501 -2.288 2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.318 -1.071 2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.248 0.565 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.214 0.382 2.312 1.00 0.00 H new ATOM 90 N PRO A 513 -5.977 -3.359 1.783 1.00 0.00 N ATOM 91 CA PRO A 513 -4.994 -4.043 2.609 1.00 0.00 C ATOM 92 C PRO A 513 -4.712 -3.312 3.924 1.00 0.00 C ATOM 93 O PRO A 513 -5.560 -2.584 4.440 1.00 0.00 O ATOM 94 CB PRO A 513 -3.770 -4.025 1.701 1.00 0.00 C ATOM 95 CG PRO A 513 -3.848 -2.695 1.041 1.00 0.00 C ATOM 96 CD PRO A 513 -5.322 -2.398 0.871 1.00 0.00 C ATOM 0 HA PRO A 513 -5.316 -5.035 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -2.847 -4.138 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -3.798 -4.836 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.363 -1.930 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.339 -2.708 0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.557 -1.368 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -5.644 -2.541 -0.161 1.00 0.00 H new ATOM 104 N ASN A 514 -3.513 -3.522 4.452 1.00 0.00 N ATOM 105 CA ASN A 514 -3.082 -2.908 5.704 1.00 0.00 C ATOM 106 C ASN A 514 -3.017 -1.391 5.603 1.00 0.00 C ATOM 107 O ASN A 514 -3.832 -0.679 6.187 1.00 0.00 O ATOM 108 CB ASN A 514 -1.699 -3.430 6.062 1.00 0.00 C ATOM 109 CG ASN A 514 -1.742 -4.579 7.048 1.00 0.00 C ATOM 110 OD1 ASN A 514 -1.337 -5.699 6.734 1.00 0.00 O ATOM 111 ND2 ASN A 514 -2.235 -4.309 8.251 1.00 0.00 N ATOM 0 H ASN A 514 -2.810 -4.124 4.024 1.00 0.00 H new ATOM 0 HA ASN A 514 -3.813 -3.167 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.192 -3.756 5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -1.107 -2.618 6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -2.289 -5.044 8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -2.560 -3.367 8.469 1.00 0.00 H new ATOM 118 N LEU A 515 -2.012 -0.918 4.868 1.00 0.00 N ATOM 119 CA LEU A 515 -1.768 0.504 4.667 1.00 0.00 C ATOM 120 C LEU A 515 -2.028 1.302 5.942 1.00 0.00 C ATOM 121 O LEU A 515 -2.707 2.328 5.924 1.00 0.00 O ATOM 122 CB LEU A 515 -2.621 1.012 3.512 1.00 0.00 C ATOM 123 CG LEU A 515 -4.125 1.042 3.776 1.00 0.00 C ATOM 124 CD1 LEU A 515 -4.603 2.463 4.042 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.881 0.434 2.607 1.00 0.00 C ATOM 0 H LEU A 515 -1.339 -1.519 4.392 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.717 0.644 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.294 2.020 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.434 0.385 2.640 1.00 0.00 H new ATOM 0 HG LEU A 515 -4.326 0.446 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.677 2.457 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.087 2.863 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.388 3.088 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.951 0.463 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.669 1.002 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.566 -0.600 2.468 1.00 0.00 H new ATOM 137 N HIS A 516 -1.476 0.815 7.049 1.00 0.00 N ATOM 138 CA HIS A 516 -1.641 1.468 8.340 1.00 0.00 C ATOM 139 C HIS A 516 -0.303 1.954 8.903 1.00 0.00 C ATOM 140 O HIS A 516 -0.272 2.637 9.926 1.00 0.00 O ATOM 141 CB HIS A 516 -2.308 0.512 9.331 1.00 0.00 C ATOM 142 CG HIS A 516 -3.692 0.925 9.723 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.582 1.506 8.845 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.342 0.836 10.908 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.717 1.758 9.472 1.00 0.00 C ATOM 146 NE2 HIS A 516 -5.597 1.360 10.725 1.00 0.00 N ATOM 0 H HIS A 516 -0.909 -0.032 7.076 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.277 2.340 8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.346 -0.485 8.892 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.691 0.442 10.227 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.946 0.428 11.826 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -6.594 2.212 9.034 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -6.320 1.431 11.441 1.00 0.00 H new ATOM 155 N TYR A 517 0.801 1.600 8.245 1.00 0.00 N ATOM 156 CA TYR A 517 2.119 2.016 8.716 1.00 0.00 C ATOM 157 C TYR A 517 2.420 3.454 8.297 1.00 0.00 C ATOM 158 O TYR A 517 3.218 4.141 8.931 1.00 0.00 O ATOM 159 CB TYR A 517 3.212 1.056 8.204 1.00 0.00 C ATOM 160 CG TYR A 517 3.703 1.336 6.794 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.347 2.527 6.480 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.519 0.407 5.774 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.787 2.787 5.199 1.00 0.00 C ATOM 164 CE2 TYR A 517 3.956 0.660 4.491 1.00 0.00 C ATOM 165 CZ TYR A 517 4.588 1.852 4.208 1.00 0.00 C ATOM 166 OH TYR A 517 5.023 2.107 2.930 1.00 0.00 O ATOM 0 H TYR A 517 0.809 1.034 7.396 1.00 0.00 H new ATOM 0 HA TYR A 517 2.115 1.976 9.805 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.062 1.102 8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.827 0.037 8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.506 3.263 7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.025 -0.529 5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.285 3.719 4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 517 3.804 -0.072 3.712 1.00 0.00 H new ATOM 0 HH TYR A 517 4.995 1.281 2.404 1.00 0.00 H new ATOM 176 N TRP A 518 1.778 3.897 7.220 1.00 0.00 N ATOM 177 CA TRP A 518 1.975 5.239 6.710 1.00 0.00 C ATOM 178 C TRP A 518 0.740 6.090 6.945 1.00 0.00 C ATOM 179 O TRP A 518 -0.373 5.703 6.589 1.00 0.00 O ATOM 180 CB TRP A 518 2.308 5.194 5.222 1.00 0.00 C ATOM 181 CG TRP A 518 3.223 6.296 4.791 1.00 0.00 C ATOM 182 CD1 TRP A 518 2.946 7.273 3.887 1.00 0.00 C ATOM 183 CD2 TRP A 518 4.561 6.535 5.245 1.00 0.00 C ATOM 184 NE1 TRP A 518 4.026 8.109 3.744 1.00 0.00 N ATOM 185 CE2 TRP A 518 5.032 7.677 4.569 1.00 0.00 C ATOM 186 CE3 TRP A 518 5.406 5.896 6.157 1.00 0.00 C ATOM 187 CZ2 TRP A 518 6.309 8.192 4.777 1.00 0.00 C ATOM 188 CZ3 TRP A 518 6.674 6.409 6.361 1.00 0.00 C ATOM 189 CH2 TRP A 518 7.114 7.546 5.674 1.00 0.00 C ATOM 0 H TRP A 518 1.114 3.338 6.685 1.00 0.00 H new ATOM 0 HA TRP A 518 2.810 5.690 7.245 1.00 0.00 H new ATOM 0 HB2 TRP A 518 2.769 4.235 4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 518 1.384 5.252 4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 518 2.011 7.377 3.357 1.00 0.00 H new ATOM 0 HE1 TRP A 518 4.072 8.919 3.125 1.00 0.00 H new ATOM 0 HE3 TRP A 518 5.075 5.018 6.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 6.651 9.070 4.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 7.336 5.924 7.063 1.00 0.00 H new ATOM 0 HH2 TRP A 518 8.110 7.921 5.856 1.00 0.00 H new ATOM 200 N THR A 519 0.968 7.245 7.556 1.00 0.00 N ATOM 201 CA THR A 519 -0.082 8.216 7.880 1.00 0.00 C ATOM 202 C THR A 519 -1.390 7.951 7.133 1.00 0.00 C ATOM 203 O THR A 519 -2.441 7.784 7.753 1.00 0.00 O ATOM 204 CB THR A 519 0.415 9.626 7.566 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.656 10.555 7.578 1.00 0.00 O ATOM 206 CG2 THR A 519 1.104 9.731 6.222 1.00 0.00 C ATOM 0 H THR A 519 1.899 7.543 7.847 1.00 0.00 H new ATOM 0 HA THR A 519 -0.298 8.114 8.943 1.00 0.00 H new ATOM 0 HB THR A 519 1.140 9.856 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.314 11.451 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.433 10.758 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 519 1.968 9.066 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.408 9.445 5.433 1.00 0.00 H new ATOM 214 N THR A 520 -1.323 7.911 5.804 1.00 0.00 N ATOM 215 CA THR A 520 -2.512 7.664 4.993 1.00 0.00 C ATOM 216 C THR A 520 -2.181 7.633 3.502 1.00 0.00 C ATOM 217 O THR A 520 -2.634 6.747 2.776 1.00 0.00 O ATOM 218 CB THR A 520 -3.580 8.733 5.265 1.00 0.00 C ATOM 219 OG1 THR A 520 -4.870 8.247 4.939 1.00 0.00 O ATOM 220 CG2 THR A 520 -3.368 10.020 4.490 1.00 0.00 C ATOM 0 H THR A 520 -0.465 8.045 5.269 1.00 0.00 H new ATOM 0 HA THR A 520 -2.900 6.685 5.275 1.00 0.00 H new ATOM 0 HB THR A 520 -3.493 8.954 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.537 8.942 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 520 -4.161 10.727 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 520 -2.403 10.451 4.757 1.00 0.00 H new ATOM 0 HG23 THR A 520 -3.387 9.808 3.421 1.00 0.00 H new ATOM 228 N GLN A 521 -1.405 8.615 3.048 1.00 0.00 N ATOM 229 CA GLN A 521 -1.034 8.710 1.638 1.00 0.00 C ATOM 230 C GLN A 521 -0.616 7.359 1.078 1.00 0.00 C ATOM 231 O GLN A 521 -0.134 6.491 1.807 1.00 0.00 O ATOM 232 CB GLN A 521 0.095 9.719 1.439 1.00 0.00 C ATOM 233 CG GLN A 521 1.335 9.415 2.259 1.00 0.00 C ATOM 234 CD GLN A 521 2.239 10.622 2.421 1.00 0.00 C ATOM 235 OE1 GLN A 521 1.925 11.552 3.164 1.00 0.00 O ATOM 236 NE2 GLN A 521 3.369 10.613 1.723 1.00 0.00 N ATOM 0 H GLN A 521 -1.021 9.355 3.635 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.917 9.050 1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 521 0.365 9.745 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.268 10.713 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 521 1.036 9.055 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 521 1.893 8.610 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 521 3.589 9.821 1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 521 4.017 11.398 1.791 1.00 0.00 H new ATOM 245 N ASP A 522 -0.810 7.190 -0.223 1.00 0.00 N ATOM 246 CA ASP A 522 -0.464 5.947 -0.896 1.00 0.00 C ATOM 247 C ASP A 522 0.973 5.531 -0.597 1.00 0.00 C ATOM 248 O ASP A 522 1.906 5.934 -1.290 1.00 0.00 O ATOM 249 CB ASP A 522 -0.661 6.090 -2.406 1.00 0.00 C ATOM 250 CG ASP A 522 -0.026 7.353 -2.954 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.490 8.455 -2.593 1.00 0.00 O ATOM 252 OD2 ASP A 522 0.935 7.240 -3.744 1.00 0.00 O ATOM 0 H ASP A 522 -1.207 7.903 -0.835 1.00 0.00 H new ATOM 0 HA ASP A 522 -1.127 5.169 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.233 5.223 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -1.727 6.095 -2.632 1.00 0.00 H new ATOM 257 N GLU A 523 1.140 4.713 0.437 1.00 0.00 N ATOM 258 CA GLU A 523 2.459 4.231 0.827 1.00 0.00 C ATOM 259 C GLU A 523 2.790 2.948 0.080 1.00 0.00 C ATOM 260 O GLU A 523 2.987 1.891 0.678 1.00 0.00 O ATOM 261 CB GLU A 523 2.518 3.998 2.332 1.00 0.00 C ATOM 262 CG GLU A 523 1.510 2.977 2.845 1.00 0.00 C ATOM 263 CD GLU A 523 0.199 3.610 3.267 1.00 0.00 C ATOM 264 OE1 GLU A 523 -0.532 4.105 2.384 1.00 0.00 O ATOM 265 OE2 GLU A 523 -0.097 3.609 4.481 1.00 0.00 O ATOM 0 H GLU A 523 0.377 4.370 1.020 1.00 0.00 H new ATOM 0 HA GLU A 523 3.198 4.989 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 523 3.522 3.667 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 523 2.350 4.946 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.318 2.239 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 523 1.940 2.442 3.692 1.00 0.00 H new ATOM 272 N GLY A 524 2.818 3.056 -1.237 1.00 0.00 N ATOM 273 CA GLY A 524 3.088 1.911 -2.080 1.00 0.00 C ATOM 274 C GLY A 524 1.832 1.454 -2.785 1.00 0.00 C ATOM 275 O GLY A 524 1.790 0.367 -3.362 1.00 0.00 O ATOM 0 H GLY A 524 2.657 3.927 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.850 2.167 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.488 1.096 -1.477 1.00 0.00 H new ATOM 279 N ALA A 525 0.800 2.294 -2.723 1.00 0.00 N ATOM 280 CA ALA A 525 -0.484 1.994 -3.340 1.00 0.00 C ATOM 281 C ALA A 525 -0.401 1.994 -4.868 1.00 0.00 C ATOM 282 O ALA A 525 -1.126 2.729 -5.538 1.00 0.00 O ATOM 283 CB ALA A 525 -1.528 2.999 -2.869 1.00 0.00 C ATOM 0 H ALA A 525 0.833 3.195 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 525 -0.775 0.990 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -2.488 2.771 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.626 2.941 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -1.218 4.005 -3.152 1.00 0.00 H new ATOM 289 N ALA A 526 0.479 1.158 -5.412 1.00 0.00 N ATOM 290 CA ALA A 526 0.649 1.051 -6.856 1.00 0.00 C ATOM 291 C ALA A 526 0.955 2.400 -7.483 1.00 0.00 C ATOM 292 O ALA A 526 0.057 3.116 -7.928 1.00 0.00 O ATOM 293 CB ALA A 526 -0.583 0.431 -7.495 1.00 0.00 C ATOM 0 H ALA A 526 1.087 0.543 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 526 1.503 0.399 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -0.437 0.360 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -0.744 -0.566 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -1.453 1.054 -7.287 1.00 0.00 H new ATOM 299 N ILE A 527 2.233 2.738 -7.500 1.00 0.00 N ATOM 300 CA ILE A 527 2.689 3.990 -8.050 1.00 0.00 C ATOM 301 C ILE A 527 4.210 4.060 -8.008 1.00 0.00 C ATOM 302 O ILE A 527 4.859 4.334 -9.017 1.00 0.00 O ATOM 303 CB ILE A 527 2.084 5.156 -7.267 1.00 0.00 C ATOM 304 CG1 ILE A 527 2.611 6.500 -7.775 1.00 0.00 C ATOM 305 CG2 ILE A 527 2.365 4.980 -5.790 1.00 0.00 C ATOM 306 CD1 ILE A 527 1.786 7.684 -7.320 1.00 0.00 C ATOM 0 H ILE A 527 2.979 2.148 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 527 2.366 4.058 -9.089 1.00 0.00 H new ATOM 0 HB ILE A 527 1.005 5.157 -7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 527 3.638 6.631 -7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 527 2.637 6.483 -8.865 1.00 0.00 H new ATOM 0 HG21 ILE A 527 1.932 5.813 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 527 1.923 4.045 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.442 4.955 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 527 2.218 8.603 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 527 0.764 7.577 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 527 1.781 7.727 -6.231 1.00 0.00 H new ATOM 318 N GLY A 528 4.772 3.790 -6.831 1.00 0.00 N ATOM 319 CA GLY A 528 6.216 3.803 -6.662 1.00 0.00 C ATOM 320 C GLY A 528 6.870 5.153 -6.945 1.00 0.00 C ATOM 321 O GLY A 528 8.001 5.390 -6.518 1.00 0.00 O ATOM 0 H GLY A 528 4.248 3.561 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 528 6.453 3.505 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 528 6.654 3.055 -7.323 1.00 0.00 H new ATOM 325 N ALA A 529 6.173 6.039 -7.661 1.00 0.00 N ATOM 326 CA ALA A 529 6.707 7.359 -7.989 1.00 0.00 C ATOM 327 C ALA A 529 8.164 7.276 -8.441 1.00 0.00 C ATOM 328 O ALA A 529 8.957 8.182 -8.181 1.00 0.00 O ATOM 329 CB ALA A 529 6.572 8.289 -6.794 1.00 0.00 C ATOM 0 H ALA A 529 5.236 5.864 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 529 6.127 7.761 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 529 6.973 9.270 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 529 5.520 8.386 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 529 7.126 7.879 -5.950 1.00 0.00 H new ATOM 335 N ALA A 530 8.508 6.177 -9.114 1.00 0.00 N ATOM 336 CA ALA A 530 9.866 5.949 -9.601 1.00 0.00 C ATOM 337 C ALA A 530 10.038 4.484 -9.969 1.00 0.00 C ATOM 338 O ALA A 530 10.963 3.828 -9.495 1.00 0.00 O ATOM 339 CB ALA A 530 10.895 6.348 -8.548 1.00 0.00 C ATOM 0 H ALA A 530 7.856 5.425 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 530 10.027 6.566 -10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 530 11.899 6.169 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.781 7.406 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 530 10.742 5.755 -7.646 1.00 0.00 H new ATOM 345 N TRP A 531 9.120 3.975 -10.794 1.00 0.00 N ATOM 346 CA TRP A 531 9.131 2.571 -11.218 1.00 0.00 C ATOM 347 C TRP A 531 9.767 1.703 -10.167 1.00 0.00 C ATOM 348 O TRP A 531 10.605 0.847 -10.452 1.00 0.00 O ATOM 349 CB TRP A 531 9.853 2.391 -12.545 1.00 0.00 C ATOM 350 CG TRP A 531 11.021 3.310 -12.735 1.00 0.00 C ATOM 351 CD1 TRP A 531 12.071 3.483 -11.883 1.00 0.00 C ATOM 352 CD2 TRP A 531 11.260 4.174 -13.852 1.00 0.00 C ATOM 353 NE1 TRP A 531 12.949 4.408 -12.398 1.00 0.00 N ATOM 354 CE2 TRP A 531 12.473 4.845 -13.607 1.00 0.00 C ATOM 355 CE3 TRP A 531 10.566 4.446 -15.034 1.00 0.00 C ATOM 356 CZ2 TRP A 531 13.006 5.770 -14.501 1.00 0.00 C ATOM 357 CZ3 TRP A 531 11.097 5.364 -15.922 1.00 0.00 C ATOM 358 CH2 TRP A 531 12.307 6.016 -15.651 1.00 0.00 C ATOM 0 H TRP A 531 8.352 4.520 -11.186 1.00 0.00 H new ATOM 0 HA TRP A 531 8.093 2.266 -11.353 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.199 1.360 -12.621 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.143 2.550 -13.357 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.195 2.969 -10.941 1.00 0.00 H new ATOM 0 HE1 TRP A 531 13.813 4.718 -11.953 1.00 0.00 H new ATOM 0 HE3 TRP A 531 9.632 3.949 -15.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 13.938 6.275 -14.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 10.570 5.582 -16.839 1.00 0.00 H new ATOM 0 HH2 TRP A 531 12.696 6.727 -16.365 1.00 0.00 H new ATOM 369 N ILE A 532 9.369 1.957 -8.946 1.00 0.00 N ATOM 370 CA ILE A 532 9.886 1.249 -7.824 1.00 0.00 C ATOM 371 C ILE A 532 8.769 0.889 -6.848 1.00 0.00 C ATOM 372 O ILE A 532 9.023 0.658 -5.675 1.00 0.00 O ATOM 373 CB ILE A 532 10.923 2.134 -7.139 1.00 0.00 C ATOM 374 CG1 ILE A 532 11.688 1.367 -6.059 1.00 0.00 C ATOM 375 CG2 ILE A 532 10.226 3.361 -6.574 1.00 0.00 C ATOM 376 CD1 ILE A 532 12.851 2.139 -5.479 1.00 0.00 C ATOM 0 H ILE A 532 8.674 2.666 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 532 10.345 0.318 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 532 11.665 2.453 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.000 1.104 -5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.057 0.432 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 532 10.958 4.001 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 532 9.748 3.913 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 532 9.472 3.050 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.347 1.534 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 532 13.560 2.379 -6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 532 12.486 3.061 -5.027 1.00 0.00 H new ATOM 388 N PRO A 533 7.503 0.820 -7.314 1.00 0.00 N ATOM 389 CA PRO A 533 6.394 0.465 -6.439 1.00 0.00 C ATOM 390 C PRO A 533 6.541 -0.965 -5.948 1.00 0.00 C ATOM 391 O PRO A 533 5.928 -1.376 -4.962 1.00 0.00 O ATOM 392 CB PRO A 533 5.157 0.607 -7.326 1.00 0.00 C ATOM 393 CG PRO A 533 5.667 0.493 -8.719 1.00 0.00 C ATOM 394 CD PRO A 533 7.059 1.043 -8.704 1.00 0.00 C ATOM 0 HA PRO A 533 6.343 1.092 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 533 4.424 -0.170 -7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 533 4.663 1.565 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 533 5.663 -0.545 -9.051 1.00 0.00 H new ATOM 0 HG3 PRO A 533 5.036 1.051 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.702 0.528 -9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 533 7.075 2.101 -8.966 1.00 0.00 H new ATOM 402 N TYR A 534 7.382 -1.708 -6.657 1.00 0.00 N ATOM 403 CA TYR A 534 7.667 -3.089 -6.340 1.00 0.00 C ATOM 404 C TYR A 534 8.237 -3.203 -4.930 1.00 0.00 C ATOM 405 O TYR A 534 7.682 -3.898 -4.078 1.00 0.00 O ATOM 406 CB TYR A 534 8.657 -3.643 -7.370 1.00 0.00 C ATOM 407 CG TYR A 534 8.150 -3.576 -8.801 1.00 0.00 C ATOM 408 CD1 TYR A 534 8.280 -2.415 -9.576 1.00 0.00 C ATOM 409 CD2 TYR A 534 7.538 -4.680 -9.380 1.00 0.00 C ATOM 410 CE1 TYR A 534 7.812 -2.376 -10.876 1.00 0.00 C ATOM 411 CE2 TYR A 534 7.070 -4.641 -10.680 1.00 0.00 C ATOM 412 CZ TYR A 534 7.210 -3.487 -11.422 1.00 0.00 C ATOM 413 OH TYR A 534 6.745 -3.447 -12.717 1.00 0.00 O ATOM 0 H TYR A 534 7.886 -1.360 -7.473 1.00 0.00 H new ATOM 0 HA TYR A 534 6.746 -3.670 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 534 9.592 -3.087 -7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 534 8.884 -4.680 -7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 534 8.751 -1.541 -9.152 1.00 0.00 H new ATOM 0 HD2 TYR A 534 7.426 -5.586 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 534 7.918 -1.475 -11.462 1.00 0.00 H new ATOM 0 HE2 TYR A 534 6.597 -5.510 -11.113 1.00 0.00 H new ATOM 0 HH TYR A 534 6.349 -4.313 -12.949 1.00 0.00 H new ATOM 423 N PHE A 535 9.343 -2.504 -4.688 1.00 0.00 N ATOM 424 CA PHE A 535 9.984 -2.514 -3.377 1.00 0.00 C ATOM 425 C PHE A 535 10.294 -1.095 -2.894 1.00 0.00 C ATOM 426 O PHE A 535 11.041 -0.908 -1.934 1.00 0.00 O ATOM 427 CB PHE A 535 11.267 -3.344 -3.417 1.00 0.00 C ATOM 428 CG PHE A 535 12.055 -3.183 -4.687 1.00 0.00 C ATOM 429 CD1 PHE A 535 12.898 -2.099 -4.863 1.00 0.00 C ATOM 430 CD2 PHE A 535 11.950 -4.119 -5.704 1.00 0.00 C ATOM 431 CE1 PHE A 535 13.623 -1.949 -6.030 1.00 0.00 C ATOM 432 CE2 PHE A 535 12.673 -3.975 -6.873 1.00 0.00 C ATOM 433 CZ PHE A 535 13.510 -2.888 -7.036 1.00 0.00 C ATOM 0 H PHE A 535 9.813 -1.924 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 535 9.286 -2.966 -2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.896 -3.064 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 535 11.012 -4.396 -3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 535 12.990 -1.362 -4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.296 -4.970 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.277 -1.099 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.584 -4.711 -7.658 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.075 -2.773 -7.949 1.00 0.00 H new ATOM 443 N GLY A 536 9.719 -0.099 -3.564 1.00 0.00 N ATOM 444 CA GLY A 536 9.948 1.286 -3.188 1.00 0.00 C ATOM 445 C GLY A 536 9.424 1.593 -1.802 1.00 0.00 C ATOM 446 O GLY A 536 10.016 1.177 -0.814 1.00 0.00 O ATOM 0 H GLY A 536 9.097 -0.227 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 536 11.016 1.500 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 536 9.465 1.942 -3.912 1.00 0.00 H new ATOM 450 N PRO A 537 8.276 2.277 -1.696 1.00 0.00 N ATOM 451 CA PRO A 537 7.652 2.591 -0.411 1.00 0.00 C ATOM 452 C PRO A 537 6.827 1.412 0.068 1.00 0.00 C ATOM 453 O PRO A 537 5.814 1.566 0.747 1.00 0.00 O ATOM 454 CB PRO A 537 6.744 3.748 -0.783 1.00 0.00 C ATOM 455 CG PRO A 537 6.251 3.334 -2.120 1.00 0.00 C ATOM 456 CD PRO A 537 7.448 2.750 -2.817 1.00 0.00 C ATOM 0 HA PRO A 537 8.359 2.818 0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 537 5.930 3.874 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.284 4.694 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 537 5.449 2.601 -2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.849 4.184 -2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 537 7.170 1.936 -3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.969 3.494 -3.419 1.00 0.00 H new ATOM 464 N ALA A 538 7.280 0.235 -0.318 1.00 0.00 N ATOM 465 CA ALA A 538 6.637 -1.005 0.021 1.00 0.00 C ATOM 466 C ALA A 538 7.670 -1.941 0.612 1.00 0.00 C ATOM 467 O ALA A 538 7.343 -2.885 1.331 1.00 0.00 O ATOM 468 CB ALA A 538 6.010 -1.621 -1.221 1.00 0.00 C ATOM 0 H ALA A 538 8.120 0.119 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 538 5.846 -0.828 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.525 -2.560 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 538 5.271 -0.935 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.785 -1.810 -1.964 1.00 0.00 H new ATOM 474 N ALA A 539 8.933 -1.661 0.291 1.00 0.00 N ATOM 475 CA ALA A 539 10.030 -2.471 0.782 1.00 0.00 C ATOM 476 C ALA A 539 11.348 -1.696 0.876 1.00 0.00 C ATOM 477 O ALA A 539 12.402 -2.297 1.079 1.00 0.00 O ATOM 478 CB ALA A 539 10.202 -3.701 -0.087 1.00 0.00 C ATOM 0 H ALA A 539 9.214 -0.882 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 539 9.771 -2.773 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.029 -4.301 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 539 9.286 -4.291 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.415 -3.396 -1.112 1.00 0.00 H new ATOM 484 N GLU A 540 11.296 -0.367 0.764 1.00 0.00 N ATOM 485 CA GLU A 540 12.510 0.445 0.882 1.00 0.00 C ATOM 486 C GLU A 540 12.911 0.510 2.346 1.00 0.00 C ATOM 487 O GLU A 540 12.943 1.579 2.957 1.00 0.00 O ATOM 488 CB GLU A 540 12.287 1.857 0.353 1.00 0.00 C ATOM 489 CG GLU A 540 11.173 2.608 1.066 1.00 0.00 C ATOM 490 CD GLU A 540 10.672 3.801 0.275 1.00 0.00 C ATOM 491 OE1 GLU A 540 11.117 3.979 -0.881 1.00 0.00 O ATOM 492 OE2 GLU A 540 9.834 4.558 0.809 1.00 0.00 O ATOM 0 H GLU A 540 10.441 0.163 0.595 1.00 0.00 H new ATOM 0 HA GLU A 540 13.299 -0.015 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.214 2.422 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 540 12.055 1.805 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.343 1.927 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.533 2.947 2.038 1.00 0.00 H new ATOM 499 N GLY A 541 13.155 -0.655 2.913 1.00 0.00 N ATOM 500 CA GLY A 541 13.481 -0.748 4.318 1.00 0.00 C ATOM 501 C GLY A 541 12.255 -1.171 5.103 1.00 0.00 C ATOM 502 O GLY A 541 12.351 -1.618 6.245 1.00 0.00 O ATOM 0 H GLY A 541 13.133 -1.548 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 541 14.286 -1.468 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 541 13.843 0.214 4.681 1.00 0.00 H new ATOM 506 N ILE A 542 11.094 -1.028 4.458 1.00 0.00 N ATOM 507 CA ILE A 542 9.820 -1.389 5.045 1.00 0.00 C ATOM 508 C ILE A 542 9.761 -2.883 5.355 1.00 0.00 C ATOM 509 O ILE A 542 9.359 -3.280 6.447 1.00 0.00 O ATOM 510 CB ILE A 542 8.663 -0.988 4.093 1.00 0.00 C ATOM 511 CG1 ILE A 542 8.094 0.358 4.518 1.00 0.00 C ATOM 512 CG2 ILE A 542 7.566 -2.043 4.066 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.541 1.163 3.367 1.00 0.00 C ATOM 0 H ILE A 542 11.021 -0.656 3.511 1.00 0.00 H new ATOM 0 HA ILE A 542 9.711 -0.847 5.984 1.00 0.00 H new ATOM 0 HB ILE A 542 9.065 -0.910 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.304 0.195 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.875 0.935 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.773 -1.726 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 542 7.981 -2.990 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 542 7.157 -2.169 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 542 7.152 2.110 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 542 8.333 1.356 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.738 0.605 2.885 1.00 0.00 H new ATOM 525 N TYR A 543 10.157 -3.705 4.381 1.00 0.00 N ATOM 526 CA TYR A 543 10.147 -5.164 4.533 1.00 0.00 C ATOM 527 C TYR A 543 10.623 -5.596 5.919 1.00 0.00 C ATOM 528 O TYR A 543 10.191 -6.625 6.439 1.00 0.00 O ATOM 529 CB TYR A 543 11.010 -5.823 3.460 1.00 0.00 C ATOM 530 CG TYR A 543 12.470 -5.472 3.565 1.00 0.00 C ATOM 531 CD1 TYR A 543 12.912 -4.195 3.265 1.00 0.00 C ATOM 532 CD2 TYR A 543 13.404 -6.417 3.961 1.00 0.00 C ATOM 533 CE1 TYR A 543 14.251 -3.863 3.355 1.00 0.00 C ATOM 534 CE2 TYR A 543 14.745 -6.097 4.055 1.00 0.00 C ATOM 535 CZ TYR A 543 15.164 -4.819 3.751 1.00 0.00 C ATOM 536 OH TYR A 543 16.498 -4.496 3.843 1.00 0.00 O ATOM 0 H TYR A 543 10.491 -3.384 3.472 1.00 0.00 H new ATOM 0 HA TYR A 543 9.114 -5.491 4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.899 -6.905 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.643 -5.527 2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.199 -3.445 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 543 13.078 -7.419 4.200 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.580 -2.862 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.461 -6.844 4.365 1.00 0.00 H new ATOM 0 HH TYR A 543 17.005 -5.282 4.136 1.00 0.00 H new ATOM 546 N ALA A 544 11.504 -4.799 6.520 1.00 0.00 N ATOM 547 CA ALA A 544 12.023 -5.093 7.853 1.00 0.00 C ATOM 548 C ALA A 544 10.888 -5.312 8.850 1.00 0.00 C ATOM 549 O ALA A 544 11.084 -5.895 9.916 1.00 0.00 O ATOM 550 CB ALA A 544 12.913 -3.962 8.325 1.00 0.00 C ATOM 0 H ALA A 544 11.873 -3.944 6.104 1.00 0.00 H new ATOM 0 HA ALA A 544 12.607 -6.012 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 544 13.295 -4.191 9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 544 13.748 -3.843 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 544 12.338 -3.037 8.361 1.00 0.00 H new ATOM 556 N GLU A 545 9.698 -4.847 8.484 1.00 0.00 N ATOM 557 CA GLU A 545 8.516 -4.988 9.318 1.00 0.00 C ATOM 558 C GLU A 545 8.317 -6.449 9.683 1.00 0.00 C ATOM 559 O GLU A 545 8.070 -6.794 10.839 1.00 0.00 O ATOM 560 CB GLU A 545 7.292 -4.462 8.561 1.00 0.00 C ATOM 561 CG GLU A 545 7.227 -4.921 7.108 1.00 0.00 C ATOM 562 CD GLU A 545 6.522 -6.250 6.944 1.00 0.00 C ATOM 563 OE1 GLU A 545 5.336 -6.341 7.312 1.00 0.00 O ATOM 564 OE2 GLU A 545 7.157 -7.201 6.442 1.00 0.00 O ATOM 0 H GLU A 545 9.529 -4.363 7.602 1.00 0.00 H new ATOM 0 HA GLU A 545 8.645 -4.411 10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 545 6.389 -4.788 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.299 -3.372 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.711 -4.165 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 545 8.239 -5.000 6.711 1.00 0.00 H new ATOM 571 N GLY A 546 8.463 -7.299 8.679 1.00 0.00 N ATOM 572 CA GLY A 546 8.339 -8.726 8.875 1.00 0.00 C ATOM 573 C GLY A 546 7.075 -9.149 9.613 1.00 0.00 C ATOM 574 O GLY A 546 7.156 -9.866 10.611 1.00 0.00 O ATOM 0 H GLY A 546 8.668 -7.020 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 546 8.360 -9.218 7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 546 9.207 -9.082 9.431 1.00 0.00 H new ATOM 578 N LEU A 547 5.907 -8.726 9.130 1.00 0.00 N ATOM 579 CA LEU A 547 4.649 -9.103 9.775 1.00 0.00 C ATOM 580 C LEU A 547 3.432 -8.770 8.907 1.00 0.00 C ATOM 581 O LEU A 547 2.523 -9.588 8.771 1.00 0.00 O ATOM 582 CB LEU A 547 4.525 -8.439 11.153 1.00 0.00 C ATOM 583 CG LEU A 547 4.001 -7.002 11.157 1.00 0.00 C ATOM 584 CD1 LEU A 547 3.582 -6.591 12.559 1.00 0.00 C ATOM 585 CD2 LEU A 547 5.057 -6.057 10.616 1.00 0.00 C ATOM 0 H LEU A 547 5.805 -8.131 8.307 1.00 0.00 H new ATOM 0 HA LEU A 547 4.668 -10.185 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 547 3.864 -9.048 11.770 1.00 0.00 H new ATOM 0 HB3 LEU A 547 5.505 -8.449 11.629 1.00 0.00 H new ATOM 0 HG LEU A 547 3.125 -6.949 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.212 -5.566 12.542 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.794 -7.256 12.913 1.00 0.00 H new ATOM 0 HD13 LEU A 547 4.439 -6.656 13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.671 -5.037 10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 547 5.949 -6.113 11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 547 5.310 -6.341 9.595 1.00 0.00 H new ATOM 597 N MET A 548 3.413 -7.573 8.329 1.00 0.00 N ATOM 598 CA MET A 548 2.296 -7.151 7.485 1.00 0.00 C ATOM 599 C MET A 548 2.511 -5.744 6.925 1.00 0.00 C ATOM 600 O MET A 548 1.998 -5.406 5.859 1.00 0.00 O ATOM 601 CB MET A 548 0.987 -7.201 8.277 1.00 0.00 C ATOM 602 CG MET A 548 0.068 -8.335 7.857 1.00 0.00 C ATOM 603 SD MET A 548 -1.121 -8.778 9.138 1.00 0.00 S ATOM 604 CE MET A 548 -2.636 -8.134 8.431 1.00 0.00 C ATOM 0 H MET A 548 4.154 -6.879 8.428 1.00 0.00 H new ATOM 0 HA MET A 548 2.239 -7.842 6.644 1.00 0.00 H new ATOM 0 HB2 MET A 548 1.217 -7.304 9.337 1.00 0.00 H new ATOM 0 HB3 MET A 548 0.461 -6.254 8.155 1.00 0.00 H new ATOM 0 HG2 MET A 548 -0.469 -8.047 6.953 1.00 0.00 H new ATOM 0 HG3 MET A 548 0.668 -9.210 7.606 1.00 0.00 H new ATOM 0 HE1 MET A 548 -3.490 -8.511 8.994 1.00 0.00 H new ATOM 0 HE2 MET A 548 -2.624 -7.045 8.476 1.00 0.00 H new ATOM 0 HE3 MET A 548 -2.717 -8.453 7.392 1.00 0.00 H new ATOM 614 N HIS A 549 3.268 -4.925 7.650 1.00 0.00 N ATOM 615 CA HIS A 549 3.547 -3.554 7.230 1.00 0.00 C ATOM 616 C HIS A 549 4.201 -3.496 5.845 1.00 0.00 C ATOM 617 O HIS A 549 4.302 -2.421 5.251 1.00 0.00 O ATOM 618 CB HIS A 549 4.441 -2.865 8.261 1.00 0.00 C ATOM 619 CG HIS A 549 3.675 -2.015 9.220 1.00 0.00 C ATOM 620 ND1 HIS A 549 2.302 -2.067 9.331 1.00 0.00 N ATOM 621 CD2 HIS A 549 4.088 -1.084 10.113 1.00 0.00 C ATOM 622 CE1 HIS A 549 1.903 -1.204 10.243 1.00 0.00 C ATOM 623 NE2 HIS A 549 2.967 -0.594 10.735 1.00 0.00 N ATOM 0 H HIS A 549 3.701 -5.188 8.535 1.00 0.00 H new ATOM 0 HA HIS A 549 2.593 -3.031 7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 549 4.995 -3.621 8.817 1.00 0.00 H new ATOM 0 HB3 HIS A 549 5.175 -2.248 7.743 1.00 0.00 H new ATOM 0 HD2 HIS A 549 5.108 -0.784 10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.880 -1.025 10.538 1.00 0.00 H new ATOM 0 HE2 HIS A 549 2.957 0.124 11.459 1.00 0.00 H new ATOM 632 N ASN A 550 4.643 -4.644 5.330 1.00 0.00 N ATOM 633 CA ASN A 550 5.281 -4.698 4.015 1.00 0.00 C ATOM 634 C ASN A 550 4.256 -4.581 2.883 1.00 0.00 C ATOM 635 O ASN A 550 4.604 -4.698 1.708 1.00 0.00 O ATOM 636 CB ASN A 550 6.074 -5.998 3.865 1.00 0.00 C ATOM 637 CG ASN A 550 5.256 -7.222 4.232 1.00 0.00 C ATOM 638 OD1 ASN A 550 4.030 -7.158 4.328 1.00 0.00 O ATOM 639 ND2 ASN A 550 5.934 -8.344 4.443 1.00 0.00 N ATOM 0 H ASN A 550 4.571 -5.546 5.802 1.00 0.00 H new ATOM 0 HA ASN A 550 5.959 -3.848 3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 550 6.421 -6.092 2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 550 6.961 -5.954 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 550 5.439 -9.199 4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 550 6.950 -8.351 4.352 1.00 0.00 H new ATOM 646 N GLN A 551 2.996 -4.351 3.242 1.00 0.00 N ATOM 647 CA GLN A 551 1.918 -4.216 2.269 1.00 0.00 C ATOM 648 C GLN A 551 2.248 -3.176 1.200 1.00 0.00 C ATOM 649 O GLN A 551 3.358 -2.646 1.150 1.00 0.00 O ATOM 650 CB GLN A 551 0.638 -3.808 2.991 1.00 0.00 C ATOM 651 CG GLN A 551 0.783 -2.499 3.750 1.00 0.00 C ATOM 652 CD GLN A 551 0.467 -1.288 2.893 1.00 0.00 C ATOM 653 OE1 GLN A 551 1.261 -0.351 2.808 1.00 0.00 O ATOM 654 NE2 GLN A 551 -0.696 -1.301 2.253 1.00 0.00 N ATOM 0 H GLN A 551 2.695 -4.253 4.212 1.00 0.00 H new ATOM 0 HA GLN A 551 1.788 -5.178 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.170 -3.714 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 551 0.351 -4.597 3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 551 0.120 -2.510 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 551 1.801 -2.415 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -1.324 -2.099 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -0.962 -0.513 1.662 1.00 0.00 H new ATOM 663 N ASP A 552 1.262 -2.884 0.354 1.00 0.00 N ATOM 664 CA ASP A 552 1.423 -1.902 -0.713 1.00 0.00 C ATOM 665 C ASP A 552 0.317 -0.854 -0.647 1.00 0.00 C ATOM 666 O ASP A 552 0.587 0.347 -0.630 1.00 0.00 O ATOM 667 CB ASP A 552 1.409 -2.593 -2.078 1.00 0.00 C ATOM 668 CG ASP A 552 2.786 -3.072 -2.497 1.00 0.00 C ATOM 669 OD1 ASP A 552 3.540 -3.547 -1.622 1.00 0.00 O ATOM 670 OD2 ASP A 552 3.108 -2.973 -3.699 1.00 0.00 O ATOM 0 H ASP A 552 0.339 -3.317 0.389 1.00 0.00 H new ATOM 0 HA ASP A 552 2.384 -1.404 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.726 -3.442 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.024 -1.902 -2.828 1.00 0.00 H new ATOM 675 N GLY A 553 -0.930 -1.315 -0.602 1.00 0.00 N ATOM 676 CA GLY A 553 -2.054 -0.400 -0.532 1.00 0.00 C ATOM 677 C GLY A 553 -2.949 -0.467 -1.755 1.00 0.00 C ATOM 678 O GLY A 553 -3.366 0.566 -2.279 1.00 0.00 O ATOM 0 H GLY A 553 -1.181 -2.304 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -2.644 -0.625 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -1.681 0.618 -0.417 1.00 0.00 H new ATOM 682 N LEU A 554 -3.243 -1.685 -2.215 1.00 0.00 N ATOM 683 CA LEU A 554 -4.095 -1.882 -3.392 1.00 0.00 C ATOM 684 C LEU A 554 -5.272 -0.905 -3.405 1.00 0.00 C ATOM 685 O LEU A 554 -5.183 0.169 -3.999 1.00 0.00 O ATOM 686 CB LEU A 554 -4.605 -3.330 -3.470 1.00 0.00 C ATOM 687 CG LEU A 554 -4.718 -4.071 -2.131 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.137 -4.581 -1.910 1.00 0.00 C ATOM 689 CD2 LEU A 554 -3.721 -5.221 -2.073 1.00 0.00 C ATOM 0 H LEU A 554 -2.905 -2.549 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 554 -3.481 -1.682 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.586 -3.325 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -3.939 -3.895 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.483 -3.368 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.191 -5.103 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.829 -3.739 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.406 -5.267 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -3.815 -5.736 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -3.925 -5.921 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -2.709 -4.831 -2.177 1.00 0.00 H new ATOM 701 N ILE A 555 -6.370 -1.271 -2.747 1.00 0.00 N ATOM 702 CA ILE A 555 -7.545 -0.410 -2.695 1.00 0.00 C ATOM 703 C ILE A 555 -8.124 -0.181 -4.088 1.00 0.00 C ATOM 704 O ILE A 555 -7.432 0.296 -4.988 1.00 0.00 O ATOM 705 CB ILE A 555 -7.205 0.959 -2.074 1.00 0.00 C ATOM 706 CG1 ILE A 555 -6.430 0.778 -0.766 1.00 0.00 C ATOM 707 CG2 ILE A 555 -8.470 1.778 -1.855 1.00 0.00 C ATOM 708 CD1 ILE A 555 -7.295 0.371 0.402 1.00 0.00 C ATOM 0 H ILE A 555 -6.469 -2.154 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.282 -0.920 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.568 1.506 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.657 0.024 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -5.923 1.712 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.209 2.741 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.969 1.938 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.139 1.242 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.676 0.262 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.052 1.135 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.782 -0.579 0.180 1.00 0.00 H new ATOM 720 N CYS A 556 -9.397 -0.516 -4.259 1.00 0.00 N ATOM 721 CA CYS A 556 -10.065 -0.336 -5.544 1.00 0.00 C ATOM 722 C CYS A 556 -10.332 1.143 -5.807 1.00 0.00 C ATOM 723 O CYS A 556 -10.315 1.595 -6.951 1.00 0.00 O ATOM 724 CB CYS A 556 -11.378 -1.119 -5.578 1.00 0.00 C ATOM 725 SG CYS A 556 -11.168 -2.925 -5.480 1.00 0.00 S ATOM 0 H CYS A 556 -9.987 -0.913 -3.527 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.408 -0.717 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.006 -0.791 -4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.911 -0.875 -6.497 1.00 0.00 H new ATOM 730 N GLY A 557 -10.576 1.890 -4.735 1.00 0.00 N ATOM 731 CA GLY A 557 -10.840 3.311 -4.863 1.00 0.00 C ATOM 732 C GLY A 557 -12.289 3.655 -4.607 1.00 0.00 C ATOM 733 O GLY A 557 -12.596 4.723 -4.077 1.00 0.00 O ATOM 0 H GLY A 557 -10.596 1.536 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -10.210 3.859 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -10.563 3.640 -5.865 1.00 0.00 H new ATOM 737 N LEU A 558 -13.179 2.750 -4.994 1.00 0.00 N ATOM 738 CA LEU A 558 -14.609 2.953 -4.823 1.00 0.00 C ATOM 739 C LEU A 558 -15.396 1.799 -5.430 1.00 0.00 C ATOM 740 O LEU A 558 -16.496 2.002 -5.938 1.00 0.00 O ATOM 741 CB LEU A 558 -15.023 4.247 -5.507 1.00 0.00 C ATOM 742 CG LEU A 558 -14.955 4.195 -7.032 1.00 0.00 C ATOM 743 CD1 LEU A 558 -15.879 5.232 -7.648 1.00 0.00 C ATOM 744 CD2 LEU A 558 -13.524 4.392 -7.504 1.00 0.00 C ATOM 0 H LEU A 558 -12.931 1.862 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.824 3.004 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.042 4.494 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.382 5.054 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 558 -15.291 3.211 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -15.814 5.177 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -16.905 5.037 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -15.582 6.227 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -13.491 4.352 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -13.159 5.362 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.894 3.603 -7.093 1.00 0.00 H new ATOM 756 N ARG A 559 -14.816 0.604 -5.388 1.00 0.00 N ATOM 757 CA ARG A 559 -15.441 -0.596 -5.950 1.00 0.00 C ATOM 758 C ARG A 559 -15.935 -0.362 -7.371 1.00 0.00 C ATOM 759 O ARG A 559 -16.591 0.634 -7.664 1.00 0.00 O ATOM 760 CB ARG A 559 -16.603 -1.099 -5.084 1.00 0.00 C ATOM 761 CG ARG A 559 -17.789 -0.149 -4.986 1.00 0.00 C ATOM 762 CD ARG A 559 -17.700 0.747 -3.758 1.00 0.00 C ATOM 763 NE ARG A 559 -18.920 1.527 -3.563 1.00 0.00 N ATOM 764 CZ ARG A 559 -20.002 1.071 -2.933 1.00 0.00 C ATOM 765 NH1 ARG A 559 -20.025 -0.163 -2.443 1.00 0.00 N ATOM 766 NH2 ARG A 559 -21.066 1.851 -2.795 1.00 0.00 N ATOM 0 H ARG A 559 -13.903 0.437 -4.966 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.664 -1.360 -5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.951 -2.051 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.229 -1.295 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.834 0.468 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.713 -0.725 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -17.515 0.135 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -16.850 1.422 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 559 -18.945 2.478 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.211 -0.769 -2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -20.857 -0.505 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.056 2.799 -3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.895 1.503 -2.313 1.00 0.00 H new ATOM 780 N GLN A 560 -15.624 -1.297 -8.254 1.00 0.00 N ATOM 781 CA GLN A 560 -16.052 -1.185 -9.635 1.00 0.00 C ATOM 782 C GLN A 560 -16.054 -2.548 -10.321 1.00 0.00 C ATOM 783 O GLN A 560 -16.688 -2.670 -11.390 1.00 0.00 O ATOM 784 CB GLN A 560 -15.153 -0.207 -10.397 1.00 0.00 C ATOM 785 CG GLN A 560 -15.922 0.887 -11.117 1.00 0.00 C ATOM 786 CD GLN A 560 -15.192 2.216 -11.107 1.00 0.00 C ATOM 787 OE1 GLN A 560 -14.518 2.574 -12.074 1.00 0.00 O ATOM 788 NE2 GLN A 560 -15.323 2.956 -10.013 1.00 0.00 N ATOM 789 OXT GLN A 560 -15.421 -3.480 -9.785 1.00 0.00 O ATOM 0 H GLN A 560 -15.082 -2.134 -8.040 1.00 0.00 H new ATOM 0 HA GLN A 560 -17.072 -0.801 -9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -14.453 0.251 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.560 -0.762 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -16.100 0.582 -12.148 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -16.898 1.009 -10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.891 2.620 -9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -14.855 3.860 -9.950 1.00 0.00 H new TER 798 GLN A 560