USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 396 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 521 GLN : amide:sc= -5.83! C(o=-6.7!,f=-9.9!) USER MOD Set 1.2: A 550 ASN : amide:sc= -0.854 X(o=-6.7,f=-6.3) USER MOD Set 2.1: A 512 ASN : amide:sc= -3.18 K(o=-3.2,f=-0.18) USER MOD Set 2.2: A 516 HIS : no HD1:sc= 0.0143 K(o=-3.2,f=-0.18) USER MOD Set 3.1: A 508 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.96) USER MOD Set 3.2: A 510 LYS NZ :NH3+ 152:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -0.75 K(o=-0.75,f=-0.074) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot -37:sc= -1.27 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 548 MET CE :methyl -149:sc= -3.19! (180deg=-5.67!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 551 GLN : amide:sc= -2.1 K(o=-2.1,f=-9.5!) USER MOD Single : A 560 GLN : amide:sc= -5.19! C(o=-5.2!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -11.317 -10.673 -1.337 1.00 0.00 N ATOM 2 CA ALA A 507 -12.160 -10.244 -0.191 1.00 0.00 C ATOM 3 C ALA A 507 -11.337 -10.161 1.090 1.00 0.00 C ATOM 4 O ALA A 507 -10.448 -10.979 1.323 1.00 0.00 O ATOM 5 CB ALA A 507 -13.326 -11.203 -0.006 1.00 0.00 C ATOM 0 HA ALA A 507 -12.551 -9.250 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.935 -10.877 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.934 -11.215 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -12.945 -12.206 0.188 1.00 0.00 H new ATOM 13 N GLN A 508 -11.642 -9.167 1.920 1.00 0.00 N ATOM 14 CA GLN A 508 -10.931 -8.978 3.179 1.00 0.00 C ATOM 15 C GLN A 508 -11.560 -7.851 3.997 1.00 0.00 C ATOM 16 O GLN A 508 -11.690 -6.724 3.520 1.00 0.00 O ATOM 17 CB GLN A 508 -9.454 -8.674 2.920 1.00 0.00 C ATOM 18 CG GLN A 508 -9.207 -7.823 1.683 1.00 0.00 C ATOM 19 CD GLN A 508 -7.758 -7.847 1.239 1.00 0.00 C ATOM 20 OE1 GLN A 508 -7.463 -7.926 0.047 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.843 -7.778 2.199 1.00 0.00 N ATOM 0 H GLN A 508 -12.376 -8.481 1.743 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.007 -9.904 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -9.041 -8.162 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.912 -9.614 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.838 -8.180 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -9.503 -6.794 1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.132 -7.714 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.851 -7.789 1.960 1.00 0.00 H new ATOM 30 N PRO A 509 -11.975 -8.146 5.242 1.00 0.00 N ATOM 31 CA PRO A 509 -12.606 -7.175 6.131 1.00 0.00 C ATOM 32 C PRO A 509 -11.613 -6.508 7.076 1.00 0.00 C ATOM 33 O PRO A 509 -11.157 -7.110 8.047 1.00 0.00 O ATOM 34 CB PRO A 509 -13.543 -8.070 6.916 1.00 0.00 C ATOM 35 CG PRO A 509 -12.703 -9.272 7.156 1.00 0.00 C ATOM 36 CD PRO A 509 -11.884 -9.463 5.899 1.00 0.00 C ATOM 0 HA PRO A 509 -13.076 -6.349 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.864 -7.605 7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.445 -8.310 6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.059 -9.131 8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.321 -10.147 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -10.852 -9.730 6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.288 -10.257 5.270 1.00 0.00 H new ATOM 44 N LYS A 510 -11.293 -5.262 6.788 1.00 0.00 N ATOM 45 CA LYS A 510 -10.359 -4.494 7.610 1.00 0.00 C ATOM 46 C LYS A 510 -10.650 -3.005 7.508 1.00 0.00 C ATOM 47 O LYS A 510 -10.719 -2.295 8.512 1.00 0.00 O ATOM 48 CB LYS A 510 -8.916 -4.777 7.184 1.00 0.00 C ATOM 49 CG LYS A 510 -8.277 -5.937 7.929 1.00 0.00 C ATOM 50 CD LYS A 510 -7.030 -6.440 7.217 1.00 0.00 C ATOM 51 CE LYS A 510 -7.047 -7.953 7.063 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.468 -8.388 5.762 1.00 0.00 N ATOM 0 H LYS A 510 -11.665 -4.751 5.987 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.488 -4.802 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.897 -4.988 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.317 -3.880 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.018 -5.622 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.996 -6.751 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.958 -5.974 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.144 -6.140 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -6.485 -8.407 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.072 -8.314 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.063 -9.340 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.214 -8.405 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.722 -7.723 5.474 1.00 0.00 H new ATOM 66 N CYS A 511 -10.824 -2.552 6.279 1.00 0.00 N ATOM 67 CA CYS A 511 -11.119 -1.156 5.984 1.00 0.00 C ATOM 68 C CYS A 511 -9.895 -0.274 6.167 1.00 0.00 C ATOM 69 O CYS A 511 -9.973 0.813 6.739 1.00 0.00 O ATOM 70 CB CYS A 511 -12.284 -0.647 6.833 1.00 0.00 C ATOM 71 SG CYS A 511 -13.813 -0.357 5.883 1.00 0.00 S ATOM 0 H CYS A 511 -10.765 -3.144 5.451 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.412 -1.103 4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.489 -1.370 7.623 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.988 0.282 7.320 1.00 0.00 H new ATOM 76 N ASN A 512 -8.767 -0.740 5.650 1.00 0.00 N ATOM 77 CA ASN A 512 -7.531 0.020 5.729 1.00 0.00 C ATOM 78 C ASN A 512 -6.819 0.075 4.373 1.00 0.00 C ATOM 79 O ASN A 512 -5.591 0.025 4.314 1.00 0.00 O ATOM 80 CB ASN A 512 -6.596 -0.579 6.784 1.00 0.00 C ATOM 81 CG ASN A 512 -5.512 0.387 7.254 1.00 0.00 C ATOM 82 OD1 ASN A 512 -4.782 0.089 8.199 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.396 1.550 6.608 1.00 0.00 N ATOM 0 H ASN A 512 -8.684 -1.638 5.173 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.791 1.038 6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.187 -0.896 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.124 -1.472 6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.685 2.224 6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -6.018 1.765 5.829 1.00 0.00 H new ATOM 90 N PRO A 513 -7.573 0.178 3.258 1.00 0.00 N ATOM 91 CA PRO A 513 -6.989 0.238 1.920 1.00 0.00 C ATOM 92 C PRO A 513 -6.575 1.660 1.518 1.00 0.00 C ATOM 93 O PRO A 513 -5.539 2.155 1.961 1.00 0.00 O ATOM 94 CB PRO A 513 -8.132 -0.275 1.051 1.00 0.00 C ATOM 95 CG PRO A 513 -9.349 0.262 1.722 1.00 0.00 C ATOM 96 CD PRO A 513 -9.049 0.239 3.200 1.00 0.00 C ATOM 0 HA PRO A 513 -6.067 -0.337 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.048 0.084 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.145 -1.364 1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.567 1.275 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.223 -0.347 1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.433 1.128 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.505 -0.623 3.688 1.00 0.00 H new ATOM 104 N ASN A 514 -7.376 2.310 0.666 1.00 0.00 N ATOM 105 CA ASN A 514 -7.070 3.656 0.206 1.00 0.00 C ATOM 106 C ASN A 514 -7.432 4.713 1.253 1.00 0.00 C ATOM 107 O ASN A 514 -7.306 5.910 1.002 1.00 0.00 O ATOM 108 CB ASN A 514 -7.798 3.933 -1.114 1.00 0.00 C ATOM 109 CG ASN A 514 -9.197 4.496 -0.922 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.446 5.672 -1.185 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.116 3.656 -0.458 1.00 0.00 N ATOM 0 H ASN A 514 -8.238 1.920 0.285 1.00 0.00 H new ATOM 0 HA ASN A 514 -5.994 3.719 0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.209 4.635 -1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.862 3.008 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.072 3.979 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.866 2.689 -0.253 1.00 0.00 H new ATOM 118 N LEU A 515 -7.874 4.269 2.424 1.00 0.00 N ATOM 119 CA LEU A 515 -8.237 5.188 3.491 1.00 0.00 C ATOM 120 C LEU A 515 -7.087 5.325 4.482 1.00 0.00 C ATOM 121 O LEU A 515 -7.293 5.394 5.693 1.00 0.00 O ATOM 122 CB LEU A 515 -9.510 4.706 4.189 1.00 0.00 C ATOM 123 CG LEU A 515 -10.742 4.595 3.281 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.769 5.733 2.269 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.762 3.248 2.568 1.00 0.00 C ATOM 0 H LEU A 515 -7.989 3.282 2.656 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.434 6.171 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.316 3.730 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.740 5.389 5.007 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.633 4.669 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.650 5.635 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.804 6.687 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -9.872 5.692 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.643 3.188 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.864 3.145 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.794 2.446 3.306 1.00 0.00 H new ATOM 137 N HIS A 516 -5.874 5.364 3.939 1.00 0.00 N ATOM 138 CA HIS A 516 -4.657 5.491 4.733 1.00 0.00 C ATOM 139 C HIS A 516 -3.431 5.448 3.825 1.00 0.00 C ATOM 140 O HIS A 516 -2.430 6.114 4.083 1.00 0.00 O ATOM 141 CB HIS A 516 -4.572 4.373 5.775 1.00 0.00 C ATOM 142 CG HIS A 516 -3.511 4.600 6.807 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.719 3.587 7.308 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.111 5.732 7.435 1.00 0.00 C ATOM 145 CE1 HIS A 516 -1.880 4.086 8.199 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.097 5.385 8.293 1.00 0.00 N ATOM 0 H HIS A 516 -5.707 5.308 2.934 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.685 6.449 5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.537 4.276 6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.378 3.428 5.268 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.515 6.723 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -1.143 3.527 8.755 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -1.593 6.027 8.904 1.00 0.00 H new ATOM 155 N TYR A 517 -3.529 4.653 2.761 1.00 0.00 N ATOM 156 CA TYR A 517 -2.444 4.496 1.788 1.00 0.00 C ATOM 157 C TYR A 517 -1.736 5.828 1.512 1.00 0.00 C ATOM 158 O TYR A 517 -0.513 5.880 1.386 1.00 0.00 O ATOM 159 CB TYR A 517 -2.999 3.902 0.484 1.00 0.00 C ATOM 160 CG TYR A 517 -3.673 4.912 -0.427 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.759 5.657 0.016 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.228 5.115 -1.727 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.382 6.574 -0.809 1.00 0.00 C ATOM 164 CE2 TYR A 517 -3.844 6.031 -2.559 1.00 0.00 C ATOM 165 CZ TYR A 517 -4.921 6.758 -2.095 1.00 0.00 C ATOM 166 OH TYR A 517 -5.536 7.672 -2.920 1.00 0.00 O ATOM 0 H TYR A 517 -4.359 4.100 2.547 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.705 3.815 2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.183 3.427 -0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.716 3.119 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.123 5.517 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.386 4.547 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.226 7.144 -0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.484 6.177 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.088 7.680 -3.791 1.00 0.00 H new ATOM 176 N TRP A 518 -2.520 6.898 1.431 1.00 0.00 N ATOM 177 CA TRP A 518 -1.991 8.236 1.181 1.00 0.00 C ATOM 178 C TRP A 518 -1.154 8.714 2.361 1.00 0.00 C ATOM 179 O TRP A 518 -1.634 9.464 3.211 1.00 0.00 O ATOM 180 CB TRP A 518 -3.147 9.210 0.946 1.00 0.00 C ATOM 181 CG TRP A 518 -4.271 9.022 1.920 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.183 8.491 3.176 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.650 9.348 1.719 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.419 8.470 3.768 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.338 8.994 2.895 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.367 9.908 0.661 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.710 9.182 3.039 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.729 10.094 0.805 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.388 9.733 1.986 1.00 0.00 C ATOM 0 H TRP A 518 -3.534 6.864 1.536 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.356 8.198 0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.776 10.232 1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.525 9.080 -0.068 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.271 8.139 3.636 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.622 8.122 4.705 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.867 10.191 -0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.221 8.903 3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.295 10.525 -0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.453 9.893 2.068 1.00 0.00 H new ATOM 200 N THR A 519 0.091 8.271 2.416 1.00 0.00 N ATOM 201 CA THR A 519 0.976 8.650 3.507 1.00 0.00 C ATOM 202 C THR A 519 2.414 8.267 3.195 1.00 0.00 C ATOM 203 O THR A 519 3.310 9.110 3.188 1.00 0.00 O ATOM 204 CB THR A 519 0.512 7.963 4.787 1.00 0.00 C ATOM 205 OG1 THR A 519 1.463 8.123 5.824 1.00 0.00 O ATOM 206 CG2 THR A 519 0.257 6.482 4.613 1.00 0.00 C ATOM 0 H THR A 519 0.511 7.652 1.723 1.00 0.00 H new ATOM 0 HA THR A 519 0.939 9.732 3.637 1.00 0.00 H new ATOM 0 HB THR A 519 -0.429 8.448 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.142 7.675 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.070 6.055 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.518 6.332 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.175 5.990 4.291 1.00 0.00 H new ATOM 214 N THR A 520 2.617 6.989 2.919 1.00 0.00 N ATOM 215 CA THR A 520 3.932 6.473 2.580 1.00 0.00 C ATOM 216 C THR A 520 3.887 5.796 1.215 1.00 0.00 C ATOM 217 O THR A 520 4.918 5.403 0.672 1.00 0.00 O ATOM 218 CB THR A 520 4.418 5.489 3.649 1.00 0.00 C ATOM 219 OG1 THR A 520 5.774 5.141 3.428 1.00 0.00 O ATOM 220 CG2 THR A 520 3.620 4.204 3.699 1.00 0.00 C ATOM 0 H THR A 520 1.880 6.284 2.924 1.00 0.00 H new ATOM 0 HA THR A 520 4.635 7.305 2.539 1.00 0.00 H new ATOM 0 HB THR A 520 4.288 6.011 4.597 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.942 5.077 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.021 3.557 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.577 4.432 3.918 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.687 3.697 2.737 1.00 0.00 H new ATOM 228 N GLN A 521 2.680 5.672 0.660 1.00 0.00 N ATOM 229 CA GLN A 521 2.505 5.054 -0.639 1.00 0.00 C ATOM 230 C GLN A 521 2.434 6.120 -1.727 1.00 0.00 C ATOM 231 O GLN A 521 3.000 5.975 -2.808 1.00 0.00 O ATOM 232 CB GLN A 521 1.249 4.166 -0.647 1.00 0.00 C ATOM 233 CG GLN A 521 -0.001 4.844 -1.189 1.00 0.00 C ATOM 234 CD GLN A 521 -0.022 4.909 -2.703 1.00 0.00 C ATOM 235 OE1 GLN A 521 0.259 3.924 -3.384 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.357 6.076 -3.234 1.00 0.00 N ATOM 0 H GLN A 521 1.815 5.993 1.095 1.00 0.00 H new ATOM 0 HA GLN A 521 3.366 4.418 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.452 3.277 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 521 1.052 3.829 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.882 4.305 -0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.065 5.854 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.582 6.866 -2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.390 6.184 -4.248 1.00 0.00 H new ATOM 245 N ASP A 522 1.744 7.198 -1.414 1.00 0.00 N ATOM 246 CA ASP A 522 1.596 8.317 -2.339 1.00 0.00 C ATOM 247 C ASP A 522 2.760 9.293 -2.201 1.00 0.00 C ATOM 248 O ASP A 522 2.801 10.336 -2.855 1.00 0.00 O ATOM 249 CB ASP A 522 0.277 9.041 -2.083 1.00 0.00 C ATOM 250 CG ASP A 522 -0.461 9.377 -3.364 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.293 8.638 -4.357 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.207 10.378 -3.375 1.00 0.00 O ATOM 0 H ASP A 522 1.271 7.329 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 522 1.596 7.921 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.359 8.418 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.472 9.959 -1.529 1.00 0.00 H new ATOM 257 N GLU A 523 3.699 8.935 -1.343 1.00 0.00 N ATOM 258 CA GLU A 523 4.879 9.747 -1.087 1.00 0.00 C ATOM 259 C GLU A 523 6.114 8.859 -1.053 1.00 0.00 C ATOM 260 O GLU A 523 7.227 9.298 -1.340 1.00 0.00 O ATOM 261 CB GLU A 523 4.727 10.500 0.235 1.00 0.00 C ATOM 262 CG GLU A 523 3.279 10.774 0.607 1.00 0.00 C ATOM 263 CD GLU A 523 3.116 12.027 1.445 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.823 13.020 1.173 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.281 12.015 2.374 1.00 0.00 O ATOM 0 H GLU A 523 3.666 8.071 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 523 4.990 10.478 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.196 9.922 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.264 11.446 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.687 10.871 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.882 9.920 1.156 1.00 0.00 H new ATOM 272 N GLY A 524 5.892 7.596 -0.714 1.00 0.00 N ATOM 273 CA GLY A 524 6.966 6.632 -0.660 1.00 0.00 C ATOM 274 C GLY A 524 6.796 5.548 -1.705 1.00 0.00 C ATOM 275 O GLY A 524 7.773 4.955 -2.159 1.00 0.00 O ATOM 0 H GLY A 524 4.974 7.222 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.919 7.139 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 524 7.001 6.180 0.331 1.00 0.00 H new ATOM 279 N ALA A 525 5.546 5.299 -2.097 1.00 0.00 N ATOM 280 CA ALA A 525 5.247 4.289 -3.106 1.00 0.00 C ATOM 281 C ALA A 525 4.872 4.942 -4.430 1.00 0.00 C ATOM 282 O ALA A 525 4.212 4.339 -5.275 1.00 0.00 O ATOM 283 CB ALA A 525 4.126 3.376 -2.624 1.00 0.00 C ATOM 0 H ALA A 525 4.727 5.784 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 525 6.142 3.688 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.913 2.627 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.432 2.879 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.230 3.968 -2.437 1.00 0.00 H new ATOM 289 N ALA A 526 5.299 6.185 -4.588 1.00 0.00 N ATOM 290 CA ALA A 526 5.016 6.952 -5.797 1.00 0.00 C ATOM 291 C ALA A 526 6.218 7.784 -6.242 1.00 0.00 C ATOM 292 O ALA A 526 6.167 8.463 -7.267 1.00 0.00 O ATOM 293 CB ALA A 526 3.822 7.861 -5.558 1.00 0.00 C ATOM 0 H ALA A 526 5.847 6.689 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 526 4.792 6.243 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.613 8.432 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.951 7.258 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.044 8.546 -4.739 1.00 0.00 H new ATOM 299 N ILE A 527 7.289 7.743 -5.460 1.00 0.00 N ATOM 300 CA ILE A 527 8.490 8.504 -5.763 1.00 0.00 C ATOM 301 C ILE A 527 9.738 7.776 -5.269 1.00 0.00 C ATOM 302 O ILE A 527 10.772 7.771 -5.937 1.00 0.00 O ATOM 303 CB ILE A 527 8.438 9.906 -5.117 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.414 9.931 -3.967 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.119 10.965 -6.166 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.022 10.371 -4.374 1.00 0.00 C ATOM 0 H ILE A 527 7.348 7.187 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 527 8.538 8.610 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 527 9.418 10.135 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.353 8.934 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.779 10.599 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.086 11.947 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 527 8.890 10.958 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.152 10.748 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.367 10.359 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.064 11.381 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.632 9.690 -5.130 1.00 0.00 H new ATOM 318 N GLY A 528 9.635 7.166 -4.090 1.00 0.00 N ATOM 319 CA GLY A 528 10.760 6.448 -3.525 1.00 0.00 C ATOM 320 C GLY A 528 11.077 5.171 -4.277 1.00 0.00 C ATOM 321 O GLY A 528 11.658 5.215 -5.363 1.00 0.00 O ATOM 0 H GLY A 528 8.791 7.158 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.637 7.095 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.546 6.208 -2.483 1.00 0.00 H new ATOM 325 N LEU A 529 10.706 4.031 -3.702 1.00 0.00 N ATOM 326 CA LEU A 529 10.975 2.749 -4.339 1.00 0.00 C ATOM 327 C LEU A 529 9.846 1.746 -4.110 1.00 0.00 C ATOM 328 O LEU A 529 9.886 0.946 -3.174 1.00 0.00 O ATOM 329 CB LEU A 529 12.300 2.176 -3.834 1.00 0.00 C ATOM 330 CG LEU A 529 13.387 2.027 -4.899 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.859 3.394 -5.372 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.553 1.214 -4.357 1.00 0.00 C ATOM 0 H LEU A 529 10.223 3.970 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 529 11.042 2.926 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.677 2.819 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.110 1.199 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 529 12.966 1.496 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.633 3.270 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 529 13.018 3.942 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.265 3.951 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.318 1.117 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.975 1.718 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.202 0.223 -4.067 1.00 0.00 H new ATOM 344 N ALA A 530 8.853 1.786 -4.990 1.00 0.00 N ATOM 345 CA ALA A 530 7.714 0.872 -4.929 1.00 0.00 C ATOM 346 C ALA A 530 7.652 0.025 -6.199 1.00 0.00 C ATOM 347 O ALA A 530 7.048 -1.047 -6.227 1.00 0.00 O ATOM 348 CB ALA A 530 6.421 1.650 -4.750 1.00 0.00 C ATOM 0 H ALA A 530 8.812 2.449 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 530 7.841 0.211 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.582 0.956 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.466 2.223 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.286 2.330 -5.591 1.00 0.00 H new ATOM 354 N TRP A 531 8.294 0.531 -7.244 1.00 0.00 N ATOM 355 CA TRP A 531 8.354 -0.132 -8.544 1.00 0.00 C ATOM 356 C TRP A 531 9.270 -1.353 -8.493 1.00 0.00 C ATOM 357 O TRP A 531 9.321 -2.141 -9.438 1.00 0.00 O ATOM 358 CB TRP A 531 8.868 0.862 -9.600 1.00 0.00 C ATOM 359 CG TRP A 531 9.497 2.076 -8.990 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.757 2.174 -8.479 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.877 3.351 -8.783 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.961 3.431 -7.967 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.824 4.175 -8.148 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.616 3.876 -9.078 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.547 5.495 -7.800 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.341 5.186 -8.732 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.302 5.984 -8.099 1.00 0.00 C ATOM 0 H TRP A 531 8.792 1.420 -7.215 1.00 0.00 H new ATOM 0 HA TRP A 531 7.352 -0.469 -8.810 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.596 0.363 -10.240 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.040 1.169 -10.239 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.488 1.379 -8.477 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.819 3.758 -7.524 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.869 3.269 -9.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.287 6.111 -7.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.369 5.601 -8.954 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.058 7.004 -7.842 1.00 0.00 H new ATOM 378 N ILE A 532 9.998 -1.503 -7.388 1.00 0.00 N ATOM 379 CA ILE A 532 10.914 -2.628 -7.227 1.00 0.00 C ATOM 380 C ILE A 532 10.244 -3.783 -6.478 1.00 0.00 C ATOM 381 O ILE A 532 9.591 -3.574 -5.455 1.00 0.00 O ATOM 382 CB ILE A 532 12.214 -2.205 -6.501 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.011 -2.126 -4.983 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.710 -0.867 -7.033 1.00 0.00 C ATOM 385 CD1 ILE A 532 11.012 -1.075 -4.559 1.00 0.00 C ATOM 0 H ILE A 532 9.971 -0.862 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 532 11.180 -2.970 -8.227 1.00 0.00 H new ATOM 0 HB ILE A 532 12.966 -2.969 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.679 -3.098 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.969 -1.917 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.625 -0.585 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.912 -0.952 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 532 11.948 -0.105 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 532 10.920 -1.077 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.352 -0.094 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 532 10.042 -1.294 -5.005 1.00 0.00 H new ATOM 397 N PRO A 533 10.382 -5.022 -6.990 1.00 0.00 N ATOM 398 CA PRO A 533 9.774 -6.207 -6.382 1.00 0.00 C ATOM 399 C PRO A 533 10.627 -6.852 -5.287 1.00 0.00 C ATOM 400 O PRO A 533 10.497 -8.047 -5.025 1.00 0.00 O ATOM 401 CB PRO A 533 9.645 -7.150 -7.573 1.00 0.00 C ATOM 402 CG PRO A 533 10.822 -6.829 -8.431 1.00 0.00 C ATOM 403 CD PRO A 533 11.125 -5.365 -8.219 1.00 0.00 C ATOM 0 HA PRO A 533 8.840 -5.964 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.657 -8.193 -7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.709 -6.989 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.679 -7.445 -8.159 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.604 -7.031 -9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.195 -5.192 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.796 -4.762 -9.066 1.00 0.00 H new ATOM 411 N TYR A 534 11.493 -6.072 -4.644 1.00 0.00 N ATOM 412 CA TYR A 534 12.341 -6.610 -3.581 1.00 0.00 C ATOM 413 C TYR A 534 12.231 -5.790 -2.293 1.00 0.00 C ATOM 414 O TYR A 534 12.933 -6.057 -1.320 1.00 0.00 O ATOM 415 CB TYR A 534 13.803 -6.695 -4.034 1.00 0.00 C ATOM 416 CG TYR A 534 14.324 -5.447 -4.712 1.00 0.00 C ATOM 417 CD1 TYR A 534 14.610 -4.301 -3.982 1.00 0.00 C ATOM 418 CD2 TYR A 534 14.543 -5.422 -6.085 1.00 0.00 C ATOM 419 CE1 TYR A 534 15.098 -3.166 -4.599 1.00 0.00 C ATOM 420 CE2 TYR A 534 15.030 -4.290 -6.709 1.00 0.00 C ATOM 421 CZ TYR A 534 15.306 -3.164 -5.962 1.00 0.00 C ATOM 422 OH TYR A 534 15.793 -2.036 -6.580 1.00 0.00 O ATOM 0 H TYR A 534 11.626 -5.079 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 534 11.983 -7.617 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.427 -6.909 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.910 -7.536 -4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 534 14.448 -4.297 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 534 14.329 -6.302 -6.673 1.00 0.00 H new ATOM 0 HE1 TYR A 534 15.316 -2.283 -4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 534 15.194 -4.287 -7.776 1.00 0.00 H new ATOM 0 HH TYR A 534 15.882 -2.203 -7.542 1.00 0.00 H new ATOM 432 N PHE A 535 11.343 -4.798 -2.290 1.00 0.00 N ATOM 433 CA PHE A 535 11.141 -3.952 -1.116 1.00 0.00 C ATOM 434 C PHE A 535 9.981 -4.464 -0.261 1.00 0.00 C ATOM 435 O PHE A 535 9.406 -3.712 0.523 1.00 0.00 O ATOM 436 CB PHE A 535 10.872 -2.507 -1.542 1.00 0.00 C ATOM 437 CG PHE A 535 12.045 -1.591 -1.345 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.223 -1.792 -2.044 1.00 0.00 C ATOM 439 CD2 PHE A 535 11.969 -0.526 -0.462 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.303 -0.948 -1.869 1.00 0.00 C ATOM 441 CE2 PHE A 535 13.045 0.322 -0.282 1.00 0.00 C ATOM 442 CZ PHE A 535 14.214 0.111 -0.986 1.00 0.00 C ATOM 0 H PHE A 535 10.752 -4.560 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 535 12.052 -3.987 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 535 10.586 -2.495 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 535 10.023 -2.123 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.299 -2.619 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.058 -0.357 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.216 -1.116 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.972 1.149 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 535 15.057 0.772 -0.847 1.00 0.00 H new ATOM 452 N GLY A 536 9.634 -5.738 -0.433 1.00 0.00 N ATOM 453 CA GLY A 536 8.533 -6.327 0.317 1.00 0.00 C ATOM 454 C GLY A 536 8.619 -6.080 1.817 1.00 0.00 C ATOM 455 O GLY A 536 8.405 -4.959 2.277 1.00 0.00 O ATOM 0 H GLY A 536 10.097 -6.376 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 536 7.592 -5.923 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.513 -7.401 0.134 1.00 0.00 H new ATOM 459 N PRO A 537 8.918 -7.121 2.616 1.00 0.00 N ATOM 460 CA PRO A 537 9.015 -6.995 4.075 1.00 0.00 C ATOM 461 C PRO A 537 10.307 -6.318 4.529 1.00 0.00 C ATOM 462 O PRO A 537 10.516 -6.097 5.721 1.00 0.00 O ATOM 463 CB PRO A 537 8.979 -8.447 4.551 1.00 0.00 C ATOM 464 CG PRO A 537 9.573 -9.222 3.426 1.00 0.00 C ATOM 465 CD PRO A 537 9.174 -8.504 2.165 1.00 0.00 C ATOM 0 HA PRO A 537 8.219 -6.371 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 537 9.551 -8.578 5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.960 -8.771 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 537 10.658 -9.273 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 537 9.205 -10.248 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.965 -8.541 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 537 8.287 -8.949 1.714 1.00 0.00 H new ATOM 473 N ALA A 538 11.174 -5.994 3.574 1.00 0.00 N ATOM 474 CA ALA A 538 12.443 -5.347 3.881 1.00 0.00 C ATOM 475 C ALA A 538 12.252 -3.864 4.180 1.00 0.00 C ATOM 476 O ALA A 538 13.032 -3.264 4.921 1.00 0.00 O ATOM 477 CB ALA A 538 13.421 -5.533 2.731 1.00 0.00 C ATOM 0 H ALA A 538 11.020 -6.170 2.581 1.00 0.00 H new ATOM 0 HA ALA A 538 12.853 -5.818 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 538 14.365 -5.045 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 538 13.594 -6.597 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 538 13.006 -5.091 1.825 1.00 0.00 H new ATOM 483 N ALA A 539 11.209 -3.276 3.603 1.00 0.00 N ATOM 484 CA ALA A 539 10.917 -1.863 3.812 1.00 0.00 C ATOM 485 C ALA A 539 9.833 -1.674 4.867 1.00 0.00 C ATOM 486 O ALA A 539 9.644 -0.575 5.386 1.00 0.00 O ATOM 487 CB ALA A 539 10.483 -1.222 2.509 1.00 0.00 C ATOM 0 H ALA A 539 10.552 -3.756 2.987 1.00 0.00 H new ATOM 0 HA ALA A 539 11.828 -1.381 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.267 -0.167 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.282 -1.317 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.587 -1.721 2.139 1.00 0.00 H new ATOM 493 N GLU A 540 9.119 -2.753 5.162 1.00 0.00 N ATOM 494 CA GLU A 540 8.034 -2.739 6.136 1.00 0.00 C ATOM 495 C GLU A 540 8.346 -1.869 7.360 1.00 0.00 C ATOM 496 O GLU A 540 9.140 -2.243 8.223 1.00 0.00 O ATOM 497 CB GLU A 540 7.714 -4.176 6.555 1.00 0.00 C ATOM 498 CG GLU A 540 8.685 -4.766 7.569 1.00 0.00 C ATOM 499 CD GLU A 540 8.591 -6.277 7.656 1.00 0.00 C ATOM 500 OE1 GLU A 540 8.127 -6.900 6.678 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.983 -6.837 8.702 1.00 0.00 O ATOM 0 H GLU A 540 9.276 -3.664 4.732 1.00 0.00 H new ATOM 0 HA GLU A 540 7.163 -2.289 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.708 -4.204 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 540 7.707 -4.808 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 540 9.703 -4.484 7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.485 -4.336 8.551 1.00 0.00 H new ATOM 508 N GLY A 541 7.690 -0.711 7.430 1.00 0.00 N ATOM 509 CA GLY A 541 7.876 0.191 8.552 1.00 0.00 C ATOM 510 C GLY A 541 8.820 1.345 8.277 1.00 0.00 C ATOM 511 O GLY A 541 8.943 2.253 9.099 1.00 0.00 O ATOM 0 H GLY A 541 7.030 -0.382 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.906 0.593 8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.255 -0.378 9.401 1.00 0.00 H new ATOM 515 N ILE A 542 9.491 1.324 7.135 1.00 0.00 N ATOM 516 CA ILE A 542 10.421 2.392 6.793 1.00 0.00 C ATOM 517 C ILE A 542 9.803 3.365 5.800 1.00 0.00 C ATOM 518 O ILE A 542 10.074 4.565 5.846 1.00 0.00 O ATOM 519 CB ILE A 542 11.731 1.841 6.207 1.00 0.00 C ATOM 520 CG1 ILE A 542 12.230 0.663 7.043 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.783 2.937 6.140 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.657 -0.516 6.206 1.00 0.00 C ATOM 0 H ILE A 542 9.411 0.587 6.435 1.00 0.00 H new ATOM 0 HA ILE A 542 10.645 2.917 7.722 1.00 0.00 H new ATOM 0 HB ILE A 542 11.541 1.488 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 542 13.070 0.990 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.441 0.349 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.705 2.531 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.424 3.748 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.975 3.318 7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 542 13.001 -1.319 6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.812 -0.866 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.467 -0.216 5.541 1.00 0.00 H new ATOM 534 N TYR A 543 8.972 2.846 4.901 1.00 0.00 N ATOM 535 CA TYR A 543 8.322 3.694 3.898 1.00 0.00 C ATOM 536 C TYR A 543 7.477 2.877 2.910 1.00 0.00 C ATOM 537 O TYR A 543 6.351 2.496 3.225 1.00 0.00 O ATOM 538 CB TYR A 543 9.363 4.544 3.148 1.00 0.00 C ATOM 539 CG TYR A 543 10.731 3.899 3.030 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.867 2.526 2.863 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.886 4.669 3.086 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.115 1.940 2.756 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.137 4.091 2.979 1.00 0.00 C ATOM 544 CZ TYR A 543 13.245 2.727 2.815 1.00 0.00 C ATOM 545 OH TYR A 543 14.489 2.148 2.708 1.00 0.00 O ATOM 0 H TYR A 543 8.733 1.856 4.843 1.00 0.00 H new ATOM 0 HA TYR A 543 7.643 4.360 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.987 4.757 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.469 5.501 3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.984 1.907 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.805 5.738 3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.204 0.871 2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.025 4.705 3.024 1.00 0.00 H new ATOM 0 HH TYR A 543 15.179 2.841 2.768 1.00 0.00 H new ATOM 555 N ILE A 544 8.013 2.625 1.712 1.00 0.00 N ATOM 556 CA ILE A 544 7.287 1.874 0.689 1.00 0.00 C ATOM 557 C ILE A 544 6.738 0.565 1.243 1.00 0.00 C ATOM 558 O ILE A 544 5.536 0.420 1.430 1.00 0.00 O ATOM 559 CB ILE A 544 8.188 1.565 -0.523 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.968 2.816 -0.941 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.354 1.040 -1.684 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.464 2.683 -0.756 1.00 0.00 C ATOM 0 H ILE A 544 8.944 2.930 1.429 1.00 0.00 H new ATOM 0 HA ILE A 544 6.456 2.503 0.370 1.00 0.00 H new ATOM 0 HB ILE A 544 8.903 0.794 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.757 3.033 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.612 3.667 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.005 0.827 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.842 0.127 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.618 1.790 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 544 10.953 3.605 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.685 2.496 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 544 10.833 1.852 -1.358 1.00 0.00 H new ATOM 574 N GLU A 545 7.631 -0.376 1.517 1.00 0.00 N ATOM 575 CA GLU A 545 7.248 -1.675 2.064 1.00 0.00 C ATOM 576 C GLU A 545 6.506 -2.516 1.032 1.00 0.00 C ATOM 577 O GLU A 545 6.138 -2.027 -0.036 1.00 0.00 O ATOM 578 CB GLU A 545 6.374 -1.505 3.309 1.00 0.00 C ATOM 579 CG GLU A 545 6.764 -0.322 4.188 1.00 0.00 C ATOM 580 CD GLU A 545 5.581 0.259 4.937 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.744 0.932 4.298 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.489 0.040 6.163 1.00 0.00 O ATOM 0 H GLU A 545 8.634 -0.265 1.369 1.00 0.00 H new ATOM 0 HA GLU A 545 8.167 -2.193 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.336 -1.386 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.425 -2.417 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.523 -0.639 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.215 0.454 3.569 1.00 0.00 H new ATOM 589 N GLY A 546 6.286 -3.784 1.365 1.00 0.00 N ATOM 590 CA GLY A 546 5.581 -4.678 0.466 1.00 0.00 C ATOM 591 C GLY A 546 4.119 -4.310 0.330 1.00 0.00 C ATOM 592 O GLY A 546 3.245 -5.004 0.851 1.00 0.00 O ATOM 0 H GLY A 546 6.584 -4.209 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.054 -4.652 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.665 -5.701 0.833 1.00 0.00 H new ATOM 596 N LEU A 547 3.855 -3.207 -0.358 1.00 0.00 N ATOM 597 CA LEU A 547 2.491 -2.735 -0.551 1.00 0.00 C ATOM 598 C LEU A 547 2.320 -2.110 -1.929 1.00 0.00 C ATOM 599 O LEU A 547 1.623 -1.109 -2.084 1.00 0.00 O ATOM 600 CB LEU A 547 2.145 -1.709 0.530 1.00 0.00 C ATOM 601 CG LEU A 547 3.101 -0.520 0.616 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.844 0.465 -0.515 1.00 0.00 C ATOM 603 CD2 LEU A 547 2.976 0.167 1.967 1.00 0.00 C ATOM 0 H LEU A 547 4.569 -2.622 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 547 1.817 -3.588 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.138 -1.335 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.127 -2.213 1.496 1.00 0.00 H new ATOM 0 HG LEU A 547 4.120 -0.893 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.537 1.303 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.991 -0.034 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.820 0.833 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.664 1.011 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.955 0.524 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.220 -0.541 2.759 1.00 0.00 H new ATOM 615 N MET A 548 2.953 -2.702 -2.934 1.00 0.00 N ATOM 616 CA MET A 548 2.866 -2.188 -4.300 1.00 0.00 C ATOM 617 C MET A 548 1.459 -2.322 -4.875 1.00 0.00 C ATOM 618 O MET A 548 1.289 -2.541 -6.074 1.00 0.00 O ATOM 619 CB MET A 548 3.848 -2.911 -5.210 1.00 0.00 C ATOM 620 CG MET A 548 5.206 -3.165 -4.575 1.00 0.00 C ATOM 621 SD MET A 548 5.619 -4.919 -4.487 1.00 0.00 S ATOM 622 CE MET A 548 5.145 -5.289 -2.801 1.00 0.00 C ATOM 0 H MET A 548 3.531 -3.536 -2.832 1.00 0.00 H new ATOM 0 HA MET A 548 3.118 -1.128 -4.253 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.415 -3.865 -5.511 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.987 -2.324 -6.118 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.973 -2.644 -5.148 1.00 0.00 H new ATOM 0 HG3 MET A 548 5.217 -2.743 -3.570 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.786 -6.078 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 548 5.253 -4.394 -2.188 1.00 0.00 H new ATOM 0 HE3 MET A 548 4.107 -5.620 -2.779 1.00 0.00 H new ATOM 632 N HIS A 549 0.459 -2.167 -4.025 1.00 0.00 N ATOM 633 CA HIS A 549 -0.926 -2.246 -4.454 1.00 0.00 C ATOM 634 C HIS A 549 -1.571 -0.872 -4.351 1.00 0.00 C ATOM 635 O HIS A 549 -2.638 -0.626 -4.913 1.00 0.00 O ATOM 636 CB HIS A 549 -1.699 -3.257 -3.599 1.00 0.00 C ATOM 637 CG HIS A 549 -0.875 -4.428 -3.157 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.695 -4.763 -1.832 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.180 -5.343 -3.872 1.00 0.00 C ATOM 640 CE1 HIS A 549 0.076 -5.833 -1.752 1.00 0.00 C ATOM 641 NE2 HIS A 549 0.402 -6.205 -2.976 1.00 0.00 N ATOM 0 H HIS A 549 0.582 -1.985 -3.029 1.00 0.00 H new ATOM 0 HA HIS A 549 -0.955 -2.582 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.093 -2.749 -2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.555 -3.620 -4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -0.098 -5.387 -4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.387 -6.321 -0.840 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.990 -7.003 -3.217 1.00 0.00 H new ATOM 650 N ASN A 550 -0.904 0.025 -3.624 1.00 0.00 N ATOM 651 CA ASN A 550 -1.388 1.392 -3.432 1.00 0.00 C ATOM 652 C ASN A 550 -2.681 1.440 -2.610 1.00 0.00 C ATOM 653 O ASN A 550 -2.914 2.400 -1.878 1.00 0.00 O ATOM 654 CB ASN A 550 -1.588 2.075 -4.785 1.00 0.00 C ATOM 655 CG ASN A 550 -0.357 1.961 -5.670 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.465 1.790 -6.883 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.823 2.054 -5.061 1.00 0.00 N ATOM 0 H ASN A 550 -0.020 -0.173 -3.155 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.629 1.931 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.442 1.628 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.825 3.127 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.684 1.983 -5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.866 2.196 -4.052 1.00 0.00 H new ATOM 664 N GLN A 551 -3.515 0.407 -2.728 1.00 0.00 N ATOM 665 CA GLN A 551 -4.771 0.336 -1.993 1.00 0.00 C ATOM 666 C GLN A 551 -5.842 1.196 -2.641 1.00 0.00 C ATOM 667 O GLN A 551 -5.664 2.396 -2.850 1.00 0.00 O ATOM 668 CB GLN A 551 -4.577 0.731 -0.532 1.00 0.00 C ATOM 669 CG GLN A 551 -3.369 0.076 0.109 1.00 0.00 C ATOM 670 CD GLN A 551 -3.316 0.288 1.609 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.157 1.412 2.085 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.451 -0.796 2.365 1.00 0.00 N ATOM 0 H GLN A 551 -3.338 -0.396 -3.331 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.108 -0.700 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.473 1.814 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.470 0.462 0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.386 -0.993 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.461 0.476 -0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.581 -1.709 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.425 -0.715 3.381 1.00 0.00 H new ATOM 681 N ASP A 552 -6.955 0.553 -2.958 1.00 0.00 N ATOM 682 CA ASP A 552 -8.085 1.221 -3.594 1.00 0.00 C ATOM 683 C ASP A 552 -9.399 0.522 -3.247 1.00 0.00 C ATOM 684 O ASP A 552 -10.122 0.064 -4.133 1.00 0.00 O ATOM 685 CB ASP A 552 -7.894 1.250 -5.111 1.00 0.00 C ATOM 686 CG ASP A 552 -7.568 -0.117 -5.679 1.00 0.00 C ATOM 687 OD1 ASP A 552 -6.558 -0.713 -5.249 1.00 0.00 O ATOM 688 OD2 ASP A 552 -8.324 -0.593 -6.552 1.00 0.00 O ATOM 0 H ASP A 552 -7.102 -0.441 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.130 2.243 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -8.801 1.629 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -7.092 1.945 -5.360 1.00 0.00 H new ATOM 693 N GLY A 553 -9.705 0.442 -1.955 1.00 0.00 N ATOM 694 CA GLY A 553 -10.932 -0.202 -1.524 1.00 0.00 C ATOM 695 C GLY A 553 -10.872 -1.711 -1.654 1.00 0.00 C ATOM 696 O GLY A 553 -11.764 -2.327 -2.238 1.00 0.00 O ATOM 0 H GLY A 553 -9.126 0.811 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.132 0.062 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.765 0.178 -2.116 1.00 0.00 H new ATOM 700 N LEU A 554 -9.817 -2.309 -1.110 1.00 0.00 N ATOM 701 CA LEU A 554 -9.643 -3.756 -1.166 1.00 0.00 C ATOM 702 C LEU A 554 -10.028 -4.402 0.160 1.00 0.00 C ATOM 703 O LEU A 554 -10.498 -5.539 0.196 1.00 0.00 O ATOM 704 CB LEU A 554 -8.192 -4.100 -1.509 1.00 0.00 C ATOM 705 CG LEU A 554 -7.545 -3.204 -2.567 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.187 -3.755 -2.974 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.453 -3.069 -3.782 1.00 0.00 C ATOM 0 H LEU A 554 -9.069 -1.813 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.299 -4.147 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.597 -4.047 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.152 -5.133 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.399 -2.214 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.741 -3.105 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.536 -3.799 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.309 -4.757 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.976 -2.428 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.631 -4.054 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.403 -2.628 -3.479 1.00 0.00 H new ATOM 719 N ILE A 555 -9.825 -3.667 1.247 1.00 0.00 N ATOM 720 CA ILE A 555 -10.150 -4.164 2.580 1.00 0.00 C ATOM 721 C ILE A 555 -11.356 -3.424 3.161 1.00 0.00 C ATOM 722 O ILE A 555 -12.037 -3.932 4.052 1.00 0.00 O ATOM 723 CB ILE A 555 -8.949 -4.054 3.553 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.900 -3.061 3.031 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.323 -5.424 3.773 1.00 0.00 C ATOM 726 CD1 ILE A 555 -7.079 -3.588 1.869 1.00 0.00 C ATOM 0 H ILE A 555 -9.437 -2.724 1.232 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.397 -5.220 2.469 1.00 0.00 H new ATOM 0 HB ILE A 555 -9.319 -3.678 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.403 -2.145 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.228 -2.795 3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.480 -5.333 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.065 -6.099 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.974 -5.822 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.361 -2.829 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.546 -4.487 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.740 -3.827 1.035 1.00 0.00 H new ATOM 738 N CYS A 556 -11.628 -2.232 2.634 1.00 0.00 N ATOM 739 CA CYS A 556 -12.767 -1.433 3.083 1.00 0.00 C ATOM 740 C CYS A 556 -13.929 -1.596 2.118 1.00 0.00 C ATOM 741 O CYS A 556 -14.744 -0.689 1.947 1.00 0.00 O ATOM 742 CB CYS A 556 -12.384 0.048 3.180 1.00 0.00 C ATOM 743 SG CYS A 556 -13.274 1.001 4.465 1.00 0.00 S ATOM 0 H CYS A 556 -11.075 -1.798 1.895 1.00 0.00 H new ATOM 0 HA CYS A 556 -13.064 -1.784 4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.314 0.118 3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.564 0.517 2.213 1.00 0.00 H new ATOM 748 N GLY A 557 -13.989 -2.756 1.480 1.00 0.00 N ATOM 749 CA GLY A 557 -15.034 -3.027 0.531 1.00 0.00 C ATOM 750 C GLY A 557 -14.641 -4.128 -0.429 1.00 0.00 C ATOM 751 O GLY A 557 -13.515 -4.160 -0.926 1.00 0.00 O ATOM 0 H GLY A 557 -13.323 -3.517 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.943 -3.312 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.263 -2.120 -0.028 1.00 0.00 H new ATOM 755 N LEU A 558 -15.567 -5.033 -0.673 1.00 0.00 N ATOM 756 CA LEU A 558 -15.332 -6.162 -1.565 1.00 0.00 C ATOM 757 C LEU A 558 -15.827 -5.864 -2.975 1.00 0.00 C ATOM 758 O LEU A 558 -16.032 -6.775 -3.777 1.00 0.00 O ATOM 759 CB LEU A 558 -16.047 -7.395 -1.024 1.00 0.00 C ATOM 760 CG LEU A 558 -15.782 -7.703 0.452 1.00 0.00 C ATOM 761 CD1 LEU A 558 -16.568 -6.754 1.343 1.00 0.00 C ATOM 762 CD2 LEU A 558 -16.136 -9.149 0.765 1.00 0.00 C ATOM 0 H LEU A 558 -16.501 -5.012 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.258 -6.343 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -17.120 -7.265 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.750 -8.259 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 558 -14.720 -7.559 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -16.368 -6.987 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -16.267 -5.727 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.634 -6.867 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -15.942 -9.351 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -17.191 -9.320 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -15.529 -9.813 0.150 1.00 0.00 H new ATOM 774 N ARG A 559 -16.036 -4.587 -3.265 1.00 0.00 N ATOM 775 CA ARG A 559 -16.528 -4.173 -4.572 1.00 0.00 C ATOM 776 C ARG A 559 -16.253 -2.691 -4.830 1.00 0.00 C ATOM 777 O ARG A 559 -16.881 -2.080 -5.695 1.00 0.00 O ATOM 778 CB ARG A 559 -18.029 -4.447 -4.666 1.00 0.00 C ATOM 779 CG ARG A 559 -18.744 -4.403 -3.321 1.00 0.00 C ATOM 780 CD ARG A 559 -20.187 -4.861 -3.443 1.00 0.00 C ATOM 781 NE ARG A 559 -21.128 -3.818 -3.042 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.220 -3.338 -1.804 1.00 0.00 C ATOM 783 NH1 ARG A 559 -20.431 -3.803 -0.844 1.00 0.00 N ATOM 784 NH2 ARG A 559 -22.104 -2.389 -1.526 1.00 0.00 N ATOM 0 H ARG A 559 -15.873 -3.820 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.999 -4.749 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -18.482 -3.714 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -18.183 -5.427 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -18.219 -5.038 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.716 -3.388 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -20.388 -5.154 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.340 -5.745 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 559 -21.751 -3.435 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.749 -4.532 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -20.506 -3.431 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.712 -2.028 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.175 -2.020 -0.578 1.00 0.00 H new ATOM 798 N GLN A 560 -15.316 -2.117 -4.080 1.00 0.00 N ATOM 799 CA GLN A 560 -14.970 -0.707 -4.241 1.00 0.00 C ATOM 800 C GLN A 560 -14.345 -0.454 -5.609 1.00 0.00 C ATOM 801 O GLN A 560 -13.836 0.666 -5.828 1.00 0.00 O ATOM 802 CB GLN A 560 -14.005 -0.258 -3.135 1.00 0.00 C ATOM 803 CG GLN A 560 -14.539 -0.451 -1.718 1.00 0.00 C ATOM 804 CD GLN A 560 -16.058 -0.457 -1.647 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.694 0.593 -1.557 1.00 0.00 O ATOM 806 NE2 GLN A 560 -16.643 -1.650 -1.686 1.00 0.00 N ATOM 807 OXT GLN A 560 -14.370 -1.376 -6.449 1.00 0.00 O ATOM 0 H GLN A 560 -14.785 -2.603 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.889 -0.126 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.071 -0.811 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.769 0.796 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.159 -1.391 -1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.155 0.345 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.075 -2.494 -1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.660 -1.721 -1.641 1.00 0.00 H new TER 816 GLN A 560