USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=10 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= -5.89 K(o=-7.3,f=-16!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= -1.41 F(o=-7.8,f=-7.3) USER MOD Set 2.1: A 512 ASN :FLIP amide:sc= -1.38 F(o=-4.7,f=-1.4) USER MOD Set 2.2: A 516 HIS :FLIP no HD1:sc= -0.0171 X(o=-1.5,f=-1.4) USER MOD Single : A 508 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.2) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -2.8 X(o=-2.8,f=-2.5!) 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 -23:sc= 0.133 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 -145:sc= -3.75 (180deg=-6.29!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 551 GLN : amide:sc= -4.15! C(o=-4.2!,f=-7.2!) USER MOD Single : A 560 GLN :FLIP amide:sc= -0.566 F(o=-2.1,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -11.999 -9.769 -0.608 1.00 0.00 N ATOM 2 CA ALA A 507 -12.788 -10.390 0.488 1.00 0.00 C ATOM 3 C ALA A 507 -12.129 -10.146 1.841 1.00 0.00 C ATOM 4 O ALA A 507 -11.435 -11.013 2.371 1.00 0.00 O ATOM 5 CB ALA A 507 -12.949 -11.881 0.241 1.00 0.00 C ATOM 0 HA ALA A 507 -13.774 -9.926 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.529 -12.323 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.467 -12.039 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -11.966 -12.351 0.199 1.00 0.00 H new ATOM 13 N GLN A 508 -12.353 -8.959 2.395 1.00 0.00 N ATOM 14 CA GLN A 508 -11.782 -8.597 3.688 1.00 0.00 C ATOM 15 C GLN A 508 -12.250 -7.208 4.117 1.00 0.00 C ATOM 16 O GLN A 508 -12.010 -6.226 3.418 1.00 0.00 O ATOM 17 CB GLN A 508 -10.256 -8.628 3.618 1.00 0.00 C ATOM 18 CG GLN A 508 -9.673 -7.632 2.628 1.00 0.00 C ATOM 19 CD GLN A 508 -8.187 -7.835 2.403 1.00 0.00 C ATOM 20 OE1 GLN A 508 -7.757 -8.191 1.305 1.00 0.00 O ATOM 21 NE2 GLN A 508 -7.394 -7.612 3.444 1.00 0.00 N ATOM 0 H GLN A 508 -12.926 -8.231 1.969 1.00 0.00 H new ATOM 0 HA GLN A 508 -12.123 -9.323 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -9.851 -8.423 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -9.933 -9.632 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -10.197 -7.723 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -9.847 -6.619 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.793 -7.318 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -6.386 -7.734 3.352 1.00 0.00 H new ATOM 30 N PRO A 509 -12.936 -7.104 5.267 1.00 0.00 N ATOM 31 CA PRO A 509 -13.443 -5.842 5.779 1.00 0.00 C ATOM 32 C PRO A 509 -12.521 -5.221 6.821 1.00 0.00 C ATOM 33 O PRO A 509 -11.971 -5.919 7.669 1.00 0.00 O ATOM 34 CB PRO A 509 -14.739 -6.292 6.429 1.00 0.00 C ATOM 35 CG PRO A 509 -14.378 -7.601 7.046 1.00 0.00 C ATOM 36 CD PRO A 509 -13.297 -8.207 6.171 1.00 0.00 C ATOM 0 HA PRO A 509 -13.544 -5.076 5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -15.084 -5.577 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -15.540 -6.400 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.019 -7.463 8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.247 -8.257 7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -12.443 -8.540 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -13.663 -9.074 5.621 1.00 0.00 H new ATOM 44 N LYS A 510 -12.375 -3.905 6.749 1.00 0.00 N ATOM 45 CA LYS A 510 -11.537 -3.153 7.681 1.00 0.00 C ATOM 46 C LYS A 510 -11.578 -1.666 7.371 1.00 0.00 C ATOM 47 O LYS A 510 -11.641 -0.830 8.273 1.00 0.00 O ATOM 48 CB LYS A 510 -10.099 -3.660 7.644 1.00 0.00 C ATOM 49 CG LYS A 510 -9.818 -4.684 8.719 1.00 0.00 C ATOM 50 CD LYS A 510 -8.975 -5.836 8.193 1.00 0.00 C ATOM 51 CE LYS A 510 -7.619 -5.355 7.703 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.612 -5.321 8.799 1.00 0.00 N ATOM 0 H LYS A 510 -12.833 -3.326 6.044 1.00 0.00 H new ATOM 0 HA LYS A 510 -11.934 -3.306 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.897 -4.099 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -9.417 -2.818 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.301 -4.206 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.760 -5.071 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.837 -6.576 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.503 -6.332 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.267 -6.011 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.721 -4.359 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -5.701 -4.988 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.935 -4.675 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.495 -6.276 9.193 1.00 0.00 H new ATOM 66 N CYS A 511 -11.546 -1.355 6.088 1.00 0.00 N ATOM 67 CA CYS A 511 -11.585 0.023 5.614 1.00 0.00 C ATOM 68 C CYS A 511 -10.279 0.739 5.862 1.00 0.00 C ATOM 69 O CYS A 511 -10.251 1.882 6.318 1.00 0.00 O ATOM 70 CB CYS A 511 -12.764 0.789 6.218 1.00 0.00 C ATOM 71 SG CYS A 511 -14.343 0.479 5.360 1.00 0.00 S ATOM 0 H CYS A 511 -11.492 -2.049 5.342 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.733 -0.013 4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.868 0.512 7.267 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.547 1.857 6.190 1.00 0.00 H new ATOM 76 N ASN A 512 -9.194 0.063 5.511 1.00 0.00 N ATOM 77 CA ASN A 512 -7.874 0.640 5.646 1.00 0.00 C ATOM 78 C ASN A 512 -7.059 0.508 4.347 1.00 0.00 C ATOM 79 O ASN A 512 -5.831 0.431 4.399 1.00 0.00 O ATOM 80 CB ASN A 512 -7.122 -0.015 6.808 1.00 0.00 C ATOM 81 CG ASN A 512 -5.768 0.625 7.080 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.588 1.874 6.656 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.887 -0.001 7.671 1.00 0.00 N flip ATOM 0 H ASN A 512 -9.207 -0.884 5.132 1.00 0.00 H new ATOM 0 HA ASN A 512 -8.000 1.703 5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.733 0.046 7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.980 -1.073 6.590 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -5.061 -0.957 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.983 0.437 7.850 1.00 0.00 H new ATOM 90 N PRO A 513 -7.707 0.480 3.152 1.00 0.00 N ATOM 91 CA PRO A 513 -7.008 0.359 1.882 1.00 0.00 C ATOM 92 C PRO A 513 -6.745 1.712 1.225 1.00 0.00 C ATOM 93 O PRO A 513 -5.648 2.258 1.323 1.00 0.00 O ATOM 94 CB PRO A 513 -7.988 -0.458 1.029 1.00 0.00 C ATOM 95 CG PRO A 513 -9.316 -0.369 1.723 1.00 0.00 C ATOM 96 CD PRO A 513 -9.148 0.554 2.902 1.00 0.00 C ATOM 0 HA PRO A 513 -6.024 -0.095 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.050 -0.059 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.661 -1.494 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.079 0.011 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -9.644 -1.355 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.469 1.570 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.728 0.223 3.764 1.00 0.00 H new ATOM 104 N ASN A 514 -7.759 2.243 0.543 1.00 0.00 N ATOM 105 CA ASN A 514 -7.636 3.520 -0.144 1.00 0.00 C ATOM 106 C ASN A 514 -7.865 4.697 0.806 1.00 0.00 C ATOM 107 O ASN A 514 -7.892 5.851 0.380 1.00 0.00 O ATOM 108 CB ASN A 514 -8.623 3.573 -1.317 1.00 0.00 C ATOM 109 CG ASN A 514 -10.011 4.039 -0.909 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.310 5.233 -0.938 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.863 3.096 -0.526 1.00 0.00 N ATOM 0 H ASN A 514 -8.676 1.804 0.454 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.618 3.605 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.232 4.243 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.697 2.583 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.809 3.349 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.572 2.118 -0.518 1.00 0.00 H new ATOM 118 N LEU A 515 -8.030 4.402 2.092 1.00 0.00 N ATOM 119 CA LEU A 515 -8.256 5.439 3.089 1.00 0.00 C ATOM 120 C LEU A 515 -7.073 5.535 4.047 1.00 0.00 C ATOM 121 O LEU A 515 -7.247 5.788 5.239 1.00 0.00 O ATOM 122 CB LEU A 515 -9.545 5.154 3.867 1.00 0.00 C ATOM 123 CG LEU A 515 -10.805 4.969 3.011 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.848 5.990 1.883 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.871 3.552 2.455 1.00 0.00 C ATOM 0 H LEU A 515 -8.011 3.453 2.466 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.358 6.394 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.397 4.254 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.717 5.974 4.564 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.675 5.130 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.750 5.839 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -10.854 6.996 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -9.971 5.867 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.771 3.440 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.993 3.362 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.896 2.839 3.279 1.00 0.00 H new ATOM 137 N HIS A 516 -5.869 5.331 3.517 1.00 0.00 N ATOM 138 CA HIS A 516 -4.658 5.395 4.329 1.00 0.00 C ATOM 139 C HIS A 516 -3.407 5.126 3.494 1.00 0.00 C ATOM 140 O HIS A 516 -2.355 5.705 3.747 1.00 0.00 O ATOM 141 CB HIS A 516 -4.735 4.391 5.480 1.00 0.00 C ATOM 142 CG HIS A 516 -4.105 4.883 6.746 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.204 6.077 7.378 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -3.256 4.114 7.514 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -3.420 6.007 8.504 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -2.860 4.813 8.564 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.707 5.121 2.532 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.587 6.405 4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.781 4.152 5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.247 3.465 5.177 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.961 3.099 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.284 6.801 9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.229 4.486 9.296 1.00 0.00 H new ATOM 155 N TYR A 517 -3.527 4.234 2.516 1.00 0.00 N ATOM 156 CA TYR A 517 -2.403 3.863 1.649 1.00 0.00 C ATOM 157 C TYR A 517 -1.534 5.067 1.255 1.00 0.00 C ATOM 158 O TYR A 517 -0.306 4.979 1.257 1.00 0.00 O ATOM 159 CB TYR A 517 -2.914 3.143 0.394 1.00 0.00 C ATOM 160 CG TYR A 517 -3.610 4.046 -0.608 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.650 4.881 -0.221 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.225 4.058 -1.943 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.284 5.702 -1.133 1.00 0.00 C ATOM 164 CE2 TYR A 517 -3.853 4.877 -2.862 1.00 0.00 C ATOM 165 CZ TYR A 517 -4.882 5.697 -2.452 1.00 0.00 C ATOM 166 OH TYR A 517 -5.512 6.513 -3.363 1.00 0.00 O ATOM 0 H TYR A 517 -4.397 3.748 2.299 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.769 3.188 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.072 2.655 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.605 2.357 0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -4.969 4.889 0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.420 3.415 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.091 6.345 -0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.539 4.874 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.108 6.389 -4.247 1.00 0.00 H new ATOM 176 N TRP A 518 -2.175 6.182 0.920 1.00 0.00 N ATOM 177 CA TRP A 518 -1.458 7.400 0.523 1.00 0.00 C ATOM 178 C TRP A 518 -0.432 7.826 1.574 1.00 0.00 C ATOM 179 O TRP A 518 0.467 8.618 1.290 1.00 0.00 O ATOM 180 CB TRP A 518 -2.449 8.546 0.278 1.00 0.00 C ATOM 181 CG TRP A 518 -3.657 8.487 1.162 1.00 0.00 C ATOM 182 CD1 TRP A 518 -3.696 8.075 2.462 1.00 0.00 C ATOM 183 CD2 TRP A 518 -4.999 8.842 0.812 1.00 0.00 C ATOM 184 NE1 TRP A 518 -4.978 8.143 2.941 1.00 0.00 N ATOM 185 CE2 TRP A 518 -5.799 8.614 1.949 1.00 0.00 C ATOM 186 CE3 TRP A 518 -5.603 9.328 -0.350 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.170 8.857 1.955 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -6.964 9.569 -0.342 1.00 0.00 C ATOM 189 CH2 TRP A 518 -7.734 9.333 0.804 1.00 0.00 C ATOM 0 H TRP A 518 -3.191 6.273 0.914 1.00 0.00 H new ATOM 0 HA TRP A 518 -0.923 7.174 -0.399 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.939 9.497 0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -2.769 8.523 -0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -2.840 7.743 3.031 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.274 7.885 3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.017 9.512 -1.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -7.766 8.676 2.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -7.442 9.946 -1.234 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -8.795 9.531 0.778 1.00 0.00 H new ATOM 200 N THR A 519 -0.577 7.305 2.786 1.00 0.00 N ATOM 201 CA THR A 519 0.321 7.628 3.890 1.00 0.00 C ATOM 202 C THR A 519 1.786 7.519 3.485 1.00 0.00 C ATOM 203 O THR A 519 2.551 8.474 3.621 1.00 0.00 O ATOM 204 CB THR A 519 0.040 6.687 5.053 1.00 0.00 C ATOM 205 OG1 THR A 519 0.987 6.860 6.090 1.00 0.00 O ATOM 206 CG2 THR A 519 0.044 5.233 4.654 1.00 0.00 C ATOM 0 H THR A 519 -1.318 6.648 3.032 1.00 0.00 H new ATOM 0 HA THR A 519 0.138 8.662 4.183 1.00 0.00 H new ATOM 0 HB THR A 519 -0.960 6.948 5.398 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.783 6.245 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.162 4.615 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.723 5.061 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.020 4.970 4.246 1.00 0.00 H new ATOM 214 N THR A 520 2.169 6.349 2.998 1.00 0.00 N ATOM 215 CA THR A 520 3.537 6.103 2.576 1.00 0.00 C ATOM 216 C THR A 520 3.572 5.519 1.169 1.00 0.00 C ATOM 217 O THR A 520 4.636 5.415 0.563 1.00 0.00 O ATOM 218 CB THR A 520 4.231 5.152 3.553 1.00 0.00 C ATOM 219 OG1 THR A 520 5.614 5.055 3.260 1.00 0.00 O ATOM 220 CG2 THR A 520 3.659 3.750 3.537 1.00 0.00 C ATOM 0 H THR A 520 1.545 5.550 2.885 1.00 0.00 H new ATOM 0 HA THR A 520 4.067 7.055 2.569 1.00 0.00 H new ATOM 0 HB THR A 520 4.064 5.582 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.767 5.296 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.198 3.129 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.604 3.784 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.763 3.326 2.538 1.00 0.00 H new ATOM 228 N GLN A 521 2.406 5.135 0.648 1.00 0.00 N ATOM 229 CA GLN A 521 2.337 4.565 -0.691 1.00 0.00 C ATOM 230 C GLN A 521 2.333 5.662 -1.758 1.00 0.00 C ATOM 231 O GLN A 521 2.688 5.431 -2.913 1.00 0.00 O ATOM 232 CB GLN A 521 1.103 3.666 -0.841 1.00 0.00 C ATOM 233 CG GLN A 521 -0.119 4.392 -1.373 1.00 0.00 C ATOM 234 CD GLN A 521 -0.233 4.312 -2.881 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.471 3.244 -3.442 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.064 5.449 -3.546 1.00 0.00 N ATOM 0 H GLN A 521 1.509 5.208 1.128 1.00 0.00 H new ATOM 0 HA GLN A 521 3.227 3.953 -0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.345 2.841 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.862 3.230 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.015 3.966 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.076 5.438 -1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 521 0.132 6.312 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.130 5.459 -4.564 1.00 0.00 H new ATOM 245 N ASP A 522 1.926 6.858 -1.356 1.00 0.00 N ATOM 246 CA ASP A 522 1.869 8.003 -2.262 1.00 0.00 C ATOM 247 C ASP A 522 2.903 9.054 -1.880 1.00 0.00 C ATOM 248 O ASP A 522 2.964 10.132 -2.471 1.00 0.00 O ATOM 249 CB ASP A 522 0.477 8.623 -2.246 1.00 0.00 C ATOM 250 CG ASP A 522 0.119 9.286 -3.561 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.066 8.577 -4.588 1.00 0.00 O ATOM 252 OD2 ASP A 522 -0.108 10.515 -3.566 1.00 0.00 O ATOM 0 H ASP A 522 1.628 7.064 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 522 2.092 7.646 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.258 7.850 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.421 9.360 -1.445 1.00 0.00 H new ATOM 257 N GLU A 523 3.712 8.724 -0.889 1.00 0.00 N ATOM 258 CA GLU A 523 4.758 9.611 -0.405 1.00 0.00 C ATOM 259 C GLU A 523 6.065 8.842 -0.324 1.00 0.00 C ATOM 260 O GLU A 523 7.152 9.402 -0.469 1.00 0.00 O ATOM 261 CB GLU A 523 4.385 10.174 0.969 1.00 0.00 C ATOM 262 CG GLU A 523 2.889 10.165 1.245 1.00 0.00 C ATOM 263 CD GLU A 523 2.478 11.202 2.270 1.00 0.00 C ATOM 264 OE1 GLU A 523 2.680 10.955 3.478 1.00 0.00 O ATOM 265 OE2 GLU A 523 1.955 12.262 1.866 1.00 0.00 O ATOM 0 H GLU A 523 3.663 7.833 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 523 4.872 10.447 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 523 4.892 9.594 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 523 4.754 11.197 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.351 10.346 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.594 9.176 1.596 1.00 0.00 H new ATOM 272 N GLY A 524 5.932 7.540 -0.109 1.00 0.00 N ATOM 273 CA GLY A 524 7.081 6.669 -0.027 1.00 0.00 C ATOM 274 C GLY A 524 7.079 5.637 -1.138 1.00 0.00 C ATOM 275 O GLY A 524 8.132 5.144 -1.541 1.00 0.00 O ATOM 0 H GLY A 524 5.035 7.070 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.993 7.263 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 524 7.088 6.164 0.939 1.00 0.00 H new ATOM 279 N ALA A 525 5.886 5.317 -1.636 1.00 0.00 N ATOM 280 CA ALA A 525 5.737 4.345 -2.709 1.00 0.00 C ATOM 281 C ALA A 525 5.338 5.027 -4.011 1.00 0.00 C ATOM 282 O ALA A 525 4.761 4.407 -4.904 1.00 0.00 O ATOM 283 CB ALA A 525 4.707 3.295 -2.324 1.00 0.00 C ATOM 0 H ALA A 525 5.008 5.720 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 525 6.699 3.857 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 525 4.603 2.573 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 525 5.032 2.781 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.746 3.777 -2.143 1.00 0.00 H new ATOM 289 N ALA A 526 5.644 6.313 -4.102 1.00 0.00 N ATOM 290 CA ALA A 526 5.318 7.102 -5.288 1.00 0.00 C ATOM 291 C ALA A 526 6.428 8.087 -5.651 1.00 0.00 C ATOM 292 O ALA A 526 6.332 8.798 -6.652 1.00 0.00 O ATOM 293 CB ALA A 526 4.019 7.852 -5.065 1.00 0.00 C ATOM 0 H ALA A 526 6.120 6.837 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 526 5.210 6.409 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.781 8.439 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.216 7.140 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.125 8.517 -4.208 1.00 0.00 H new ATOM 299 N ILE A 527 7.468 8.137 -4.831 1.00 0.00 N ATOM 300 CA ILE A 527 8.583 9.045 -5.062 1.00 0.00 C ATOM 301 C ILE A 527 9.911 8.354 -4.768 1.00 0.00 C ATOM 302 O ILE A 527 10.885 8.517 -5.503 1.00 0.00 O ATOM 303 CB ILE A 527 8.468 10.316 -4.188 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.391 10.135 -3.105 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.174 11.534 -5.055 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.988 10.506 -3.549 1.00 0.00 C ATOM 0 H ILE A 527 7.563 7.557 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 527 8.548 9.337 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 527 9.422 10.479 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.393 9.095 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.658 10.742 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.096 12.419 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 527 8.981 11.671 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.234 11.384 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.292 10.348 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 527 5.966 11.554 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.697 9.882 -4.394 1.00 0.00 H new ATOM 318 N GLY A 528 9.942 7.583 -3.684 1.00 0.00 N ATOM 319 CA GLY A 528 11.152 6.879 -3.310 1.00 0.00 C ATOM 320 C GLY A 528 11.425 5.678 -4.188 1.00 0.00 C ATOM 321 O GLY A 528 11.868 5.824 -5.328 1.00 0.00 O ATOM 0 H GLY A 528 9.149 7.435 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.998 7.564 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 528 11.073 6.555 -2.272 1.00 0.00 H new ATOM 325 N LEU A 529 11.180 4.484 -3.657 1.00 0.00 N ATOM 326 CA LEU A 529 11.426 3.263 -4.409 1.00 0.00 C ATOM 327 C LEU A 529 10.291 2.247 -4.257 1.00 0.00 C ATOM 328 O LEU A 529 10.369 1.330 -3.440 1.00 0.00 O ATOM 329 CB LEU A 529 12.753 2.648 -3.966 1.00 0.00 C ATOM 330 CG LEU A 529 13.730 2.345 -5.100 1.00 0.00 C ATOM 331 CD1 LEU A 529 14.347 3.636 -5.615 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.809 1.379 -4.630 1.00 0.00 C ATOM 0 H LEU A 529 10.814 4.338 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 529 11.475 3.528 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 529 13.235 3.327 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.547 1.724 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 529 13.186 1.872 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 529 15.042 3.410 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 529 13.560 4.293 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.882 4.132 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.496 1.174 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.358 1.823 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.346 0.448 -4.303 1.00 0.00 H new ATOM 344 N ALA A 530 9.252 2.406 -5.073 1.00 0.00 N ATOM 345 CA ALA A 530 8.107 1.495 -5.066 1.00 0.00 C ATOM 346 C ALA A 530 7.913 0.866 -6.442 1.00 0.00 C ATOM 347 O ALA A 530 6.975 0.100 -6.669 1.00 0.00 O ATOM 348 CB ALA A 530 6.846 2.228 -4.646 1.00 0.00 C ATOM 0 H ALA A 530 9.178 3.163 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 530 8.308 0.702 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 530 6.005 1.535 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.979 2.636 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.647 3.040 -5.345 1.00 0.00 H new ATOM 354 N TRP A 531 8.818 1.200 -7.348 1.00 0.00 N ATOM 355 CA TRP A 531 8.796 0.692 -8.716 1.00 0.00 C ATOM 356 C TRP A 531 9.838 -0.409 -8.862 1.00 0.00 C ATOM 357 O TRP A 531 10.300 -0.705 -9.963 1.00 0.00 O ATOM 358 CB TRP A 531 9.104 1.838 -9.689 1.00 0.00 C ATOM 359 CG TRP A 531 9.778 2.986 -9.009 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.074 3.037 -8.594 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.178 4.224 -8.619 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.321 4.231 -7.968 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.172 4.984 -7.976 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.897 4.767 -8.756 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.924 6.259 -7.470 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.652 6.031 -8.253 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.659 6.764 -7.618 1.00 0.00 C ATOM 0 H TRP A 531 9.594 1.834 -7.157 1.00 0.00 H new ATOM 0 HA TRP A 531 7.811 0.285 -8.943 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.740 1.469 -10.493 1.00 0.00 H new ATOM 0 HB3 TRP A 531 8.177 2.182 -10.148 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.801 2.251 -8.737 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.213 4.514 -7.562 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.113 4.209 -9.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.700 6.828 -6.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.666 6.460 -8.352 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.435 7.749 -7.236 1.00 0.00 H new ATOM 378 N ILE A 532 10.211 -0.997 -7.729 1.00 0.00 N ATOM 379 CA ILE A 532 11.213 -2.052 -7.702 1.00 0.00 C ATOM 380 C ILE A 532 10.871 -3.111 -6.646 1.00 0.00 C ATOM 381 O ILE A 532 10.994 -2.874 -5.445 1.00 0.00 O ATOM 382 CB ILE A 532 12.624 -1.463 -7.433 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.781 -1.023 -5.976 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.888 -0.277 -8.352 1.00 0.00 C ATOM 385 CD1 ILE A 532 11.664 -0.122 -5.493 1.00 0.00 C ATOM 0 H ILE A 532 9.830 -0.757 -6.814 1.00 0.00 H new ATOM 0 HA ILE A 532 11.216 -2.533 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 532 13.350 -2.251 -7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 532 12.824 -1.907 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.732 -0.502 -5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.881 0.125 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.831 -0.602 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.141 0.496 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 532 11.841 0.151 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.634 0.780 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 532 10.712 -0.647 -5.574 1.00 0.00 H new ATOM 397 N PRO A 533 10.409 -4.297 -7.076 1.00 0.00 N ATOM 398 CA PRO A 533 10.035 -5.375 -6.163 1.00 0.00 C ATOM 399 C PRO A 533 11.216 -6.257 -5.761 1.00 0.00 C ATOM 400 O PRO A 533 11.612 -7.150 -6.511 1.00 0.00 O ATOM 401 CB PRO A 533 9.035 -6.172 -6.993 1.00 0.00 C ATOM 402 CG PRO A 533 9.520 -6.028 -8.397 1.00 0.00 C ATOM 403 CD PRO A 533 10.194 -4.679 -8.486 1.00 0.00 C ATOM 0 HA PRO A 533 9.646 -4.997 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.009 -7.218 -6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.024 -5.781 -6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 533 10.217 -6.827 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 533 8.691 -6.094 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.135 -4.738 -9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.569 -3.953 -9.006 1.00 0.00 H new ATOM 411 N TYR A 534 11.766 -6.021 -4.570 1.00 0.00 N ATOM 412 CA TYR A 534 12.886 -6.823 -4.087 1.00 0.00 C ATOM 413 C TYR A 534 13.104 -6.649 -2.586 1.00 0.00 C ATOM 414 O TYR A 534 13.165 -7.633 -1.848 1.00 0.00 O ATOM 415 CB TYR A 534 14.161 -6.507 -4.869 1.00 0.00 C ATOM 416 CG TYR A 534 14.839 -5.198 -4.519 1.00 0.00 C ATOM 417 CD1 TYR A 534 15.744 -5.122 -3.467 1.00 0.00 C ATOM 418 CD2 TYR A 534 14.595 -4.045 -5.257 1.00 0.00 C ATOM 419 CE1 TYR A 534 16.386 -3.938 -3.162 1.00 0.00 C ATOM 420 CE2 TYR A 534 15.231 -2.856 -4.955 1.00 0.00 C ATOM 421 CZ TYR A 534 16.127 -2.807 -3.907 1.00 0.00 C ATOM 422 OH TYR A 534 16.764 -1.626 -3.605 1.00 0.00 O ATOM 0 H TYR A 534 11.458 -5.289 -3.930 1.00 0.00 H new ATOM 0 HA TYR A 534 12.634 -7.870 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.873 -7.317 -4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.920 -6.497 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 534 15.949 -6.004 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 534 13.897 -4.079 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.089 -3.898 -2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 534 15.028 -1.969 -5.537 1.00 0.00 H new ATOM 0 HH TYR A 534 16.470 -0.928 -4.226 1.00 0.00 H new ATOM 432 N PHE A 535 13.202 -5.407 -2.126 1.00 0.00 N ATOM 433 CA PHE A 535 13.388 -5.148 -0.701 1.00 0.00 C ATOM 434 C PHE A 535 12.043 -4.912 -0.021 1.00 0.00 C ATOM 435 O PHE A 535 11.976 -4.325 1.058 1.00 0.00 O ATOM 436 CB PHE A 535 14.316 -3.951 -0.471 1.00 0.00 C ATOM 437 CG PHE A 535 13.713 -2.623 -0.836 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.579 -2.252 -2.162 1.00 0.00 C ATOM 439 CD2 PHE A 535 13.290 -1.744 0.148 1.00 0.00 C ATOM 440 CE1 PHE A 535 13.034 -1.030 -2.503 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.743 -0.520 -0.187 1.00 0.00 C ATOM 442 CZ PHE A 535 12.616 -0.162 -1.514 1.00 0.00 C ATOM 0 H PHE A 535 13.157 -4.572 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 535 13.856 -6.028 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 535 14.608 -3.928 0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 535 15.227 -4.095 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.905 -2.926 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 535 13.389 -2.018 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 535 12.935 -0.753 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 535 12.415 0.156 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 535 12.191 0.795 -1.778 1.00 0.00 H new ATOM 452 N GLY A 536 10.973 -5.373 -0.667 1.00 0.00 N ATOM 453 CA GLY A 536 9.638 -5.202 -0.116 1.00 0.00 C ATOM 454 C GLY A 536 9.544 -5.602 1.349 1.00 0.00 C ATOM 455 O GLY A 536 9.198 -4.778 2.195 1.00 0.00 O ATOM 0 H GLY A 536 11.007 -5.862 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 536 9.338 -4.160 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.933 -5.798 -0.696 1.00 0.00 H new ATOM 459 N PRO A 537 9.846 -6.871 1.680 1.00 0.00 N ATOM 460 CA PRO A 537 9.787 -7.364 3.062 1.00 0.00 C ATOM 461 C PRO A 537 10.915 -6.822 3.940 1.00 0.00 C ATOM 462 O PRO A 537 10.969 -7.106 5.137 1.00 0.00 O ATOM 463 CB PRO A 537 9.922 -8.879 2.898 1.00 0.00 C ATOM 464 CG PRO A 537 10.685 -9.054 1.631 1.00 0.00 C ATOM 465 CD PRO A 537 10.265 -7.922 0.733 1.00 0.00 C ATOM 0 HA PRO A 537 8.872 -7.047 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 537 10.449 -9.324 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 537 8.946 -9.360 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 537 11.759 -9.027 1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 537 10.464 -10.018 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 537 11.085 -7.587 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 537 9.450 -8.215 0.072 1.00 0.00 H new ATOM 473 N ALA A 538 11.813 -6.044 3.344 1.00 0.00 N ATOM 474 CA ALA A 538 12.935 -5.469 4.078 1.00 0.00 C ATOM 475 C ALA A 538 12.660 -4.016 4.455 1.00 0.00 C ATOM 476 O ALA A 538 13.203 -3.506 5.434 1.00 0.00 O ATOM 477 CB ALA A 538 14.210 -5.570 3.256 1.00 0.00 C ATOM 0 H ALA A 538 11.786 -5.797 2.355 1.00 0.00 H new ATOM 0 HA ALA A 538 13.063 -6.037 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 538 15.039 -5.137 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 538 14.424 -6.617 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 538 14.083 -5.028 2.319 1.00 0.00 H new ATOM 483 N ALA A 539 11.813 -3.356 3.671 1.00 0.00 N ATOM 484 CA ALA A 539 11.465 -1.964 3.920 1.00 0.00 C ATOM 485 C ALA A 539 10.290 -1.851 4.884 1.00 0.00 C ATOM 486 O ALA A 539 10.028 -0.786 5.441 1.00 0.00 O ATOM 487 CB ALA A 539 11.127 -1.272 2.615 1.00 0.00 C ATOM 0 H ALA A 539 11.355 -3.765 2.857 1.00 0.00 H new ATOM 0 HA ALA A 539 12.328 -1.478 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.868 -0.232 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.988 -1.312 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 539 10.281 -1.774 2.145 1.00 0.00 H new ATOM 493 N GLU A 540 9.582 -2.961 5.057 1.00 0.00 N ATOM 494 CA GLU A 540 8.416 -3.029 5.930 1.00 0.00 C ATOM 495 C GLU A 540 8.568 -2.179 7.197 1.00 0.00 C ATOM 496 O GLU A 540 9.302 -2.535 8.119 1.00 0.00 O ATOM 497 CB GLU A 540 8.146 -4.492 6.284 1.00 0.00 C ATOM 498 CG GLU A 540 9.084 -5.063 7.337 1.00 0.00 C ATOM 499 CD GLU A 540 9.090 -6.580 7.351 1.00 0.00 C ATOM 500 OE1 GLU A 540 8.664 -7.185 6.345 1.00 0.00 O ATOM 501 OE2 GLU A 540 9.523 -7.162 8.368 1.00 0.00 O ATOM 0 H GLU A 540 9.801 -3.843 4.594 1.00 0.00 H new ATOM 0 HA GLU A 540 7.567 -2.611 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.120 -4.585 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 540 8.225 -5.094 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.095 -4.701 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.788 -4.695 8.320 1.00 0.00 H new ATOM 508 N GLY A 541 7.844 -1.062 7.235 1.00 0.00 N ATOM 509 CA GLY A 541 7.877 -0.184 8.390 1.00 0.00 C ATOM 510 C GLY A 541 8.743 1.049 8.215 1.00 0.00 C ATOM 511 O GLY A 541 8.722 1.944 9.060 1.00 0.00 O ATOM 0 H GLY A 541 7.232 -0.750 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.859 0.131 8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.239 -0.748 9.250 1.00 0.00 H new ATOM 515 N ILE A 542 9.507 1.109 7.134 1.00 0.00 N ATOM 516 CA ILE A 542 10.371 2.258 6.892 1.00 0.00 C ATOM 517 C ILE A 542 9.765 3.206 5.868 1.00 0.00 C ATOM 518 O ILE A 542 9.945 4.420 5.955 1.00 0.00 O ATOM 519 CB ILE A 542 11.767 1.828 6.412 1.00 0.00 C ATOM 520 CG1 ILE A 542 12.301 0.691 7.282 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.722 3.013 6.429 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.832 -0.470 6.479 1.00 0.00 C ATOM 0 H ILE A 542 9.548 0.385 6.417 1.00 0.00 H new ATOM 0 HA ILE A 542 10.468 2.776 7.846 1.00 0.00 H new ATOM 0 HB ILE A 542 11.688 1.467 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 542 13.095 1.074 7.923 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.504 0.338 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.706 2.692 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.345 3.794 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.800 3.403 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 542 13.196 -1.244 7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 542 12.035 -0.877 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.650 -0.129 5.844 1.00 0.00 H new ATOM 534 N TYR A 543 9.049 2.651 4.896 1.00 0.00 N ATOM 535 CA TYR A 543 8.422 3.475 3.857 1.00 0.00 C ATOM 536 C TYR A 543 7.744 2.621 2.777 1.00 0.00 C ATOM 537 O TYR A 543 6.636 2.123 2.980 1.00 0.00 O ATOM 538 CB TYR A 543 9.452 4.429 3.224 1.00 0.00 C ATOM 539 CG TYR A 543 10.873 3.898 3.216 1.00 0.00 C ATOM 540 CD1 TYR A 543 11.134 2.546 3.023 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.953 4.752 3.406 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.428 2.062 3.018 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.250 4.276 3.402 1.00 0.00 C ATOM 544 CZ TYR A 543 13.482 2.930 3.208 1.00 0.00 C ATOM 545 OH TYR A 543 14.772 2.452 3.204 1.00 0.00 O ATOM 0 H TYR A 543 8.887 1.648 4.802 1.00 0.00 H new ATOM 0 HA TYR A 543 7.645 4.067 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.150 4.642 2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.433 5.375 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.311 1.863 2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.775 5.806 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.613 1.009 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.078 4.954 3.550 1.00 0.00 H new ATOM 0 HH TYR A 543 15.396 3.193 3.350 1.00 0.00 H new ATOM 555 N ILE A 544 8.401 2.467 1.623 1.00 0.00 N ATOM 556 CA ILE A 544 7.846 1.692 0.517 1.00 0.00 C ATOM 557 C ILE A 544 7.349 0.330 0.981 1.00 0.00 C ATOM 558 O ILE A 544 6.150 0.080 1.021 1.00 0.00 O ATOM 559 CB ILE A 544 8.887 1.495 -0.600 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.537 2.833 -0.963 1.00 0.00 C ATOM 561 CG2 ILE A 544 8.239 0.862 -1.821 1.00 0.00 C ATOM 562 CD1 ILE A 544 11.045 2.825 -0.839 1.00 0.00 C ATOM 0 H ILE A 544 9.318 2.871 1.434 1.00 0.00 H new ATOM 0 HA ILE A 544 7.002 2.261 0.127 1.00 0.00 H new ATOM 0 HB ILE A 544 9.665 0.823 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.266 3.094 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 544 9.131 3.612 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.987 0.729 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.821 -0.108 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 544 7.443 1.510 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.438 3.805 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 544 11.324 2.595 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.461 2.069 -1.505 1.00 0.00 H new ATOM 574 N GLU A 545 8.280 -0.542 1.339 1.00 0.00 N ATOM 575 CA GLU A 545 7.947 -1.880 1.813 1.00 0.00 C ATOM 576 C GLU A 545 7.284 -2.709 0.717 1.00 0.00 C ATOM 577 O GLU A 545 6.989 -2.205 -0.366 1.00 0.00 O ATOM 578 CB GLU A 545 7.020 -1.803 3.030 1.00 0.00 C ATOM 579 CG GLU A 545 7.279 -0.608 3.939 1.00 0.00 C ATOM 580 CD GLU A 545 6.006 -0.063 4.559 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.961 -0.741 4.463 1.00 0.00 O ATOM 582 OE2 GLU A 545 6.054 1.041 5.142 1.00 0.00 O ATOM 0 H GLU A 545 9.281 -0.346 1.310 1.00 0.00 H new ATOM 0 HA GLU A 545 8.879 -2.368 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.987 -1.765 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.127 -2.718 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.969 -0.901 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.767 0.181 3.367 1.00 0.00 H new ATOM 589 N GLY A 546 7.048 -3.984 1.013 1.00 0.00 N ATOM 590 CA GLY A 546 6.415 -4.866 0.050 1.00 0.00 C ATOM 591 C GLY A 546 4.913 -4.675 0.010 1.00 0.00 C ATOM 592 O GLY A 546 4.155 -5.550 0.428 1.00 0.00 O ATOM 0 H GLY A 546 7.284 -4.422 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.831 -4.680 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.643 -5.902 0.302 1.00 0.00 H new ATOM 596 N LEU A 547 4.485 -3.520 -0.486 1.00 0.00 N ATOM 597 CA LEU A 547 3.068 -3.197 -0.573 1.00 0.00 C ATOM 598 C LEU A 547 2.699 -2.733 -1.973 1.00 0.00 C ATOM 599 O LEU A 547 1.952 -1.769 -2.140 1.00 0.00 O ATOM 600 CB LEU A 547 2.723 -2.103 0.435 1.00 0.00 C ATOM 601 CG LEU A 547 3.624 -0.875 0.358 1.00 0.00 C ATOM 602 CD1 LEU A 547 3.203 0.018 -0.799 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.600 -0.110 1.673 1.00 0.00 C ATOM 0 H LEU A 547 5.104 -2.789 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 547 2.499 -4.099 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.690 -1.792 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.781 -2.520 1.441 1.00 0.00 H new ATOM 0 HG LEU A 547 4.647 -1.205 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.855 0.890 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.279 -0.538 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 547 2.173 0.342 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.249 0.763 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.581 0.213 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.953 -0.757 2.477 1.00 0.00 H new ATOM 615 N MET A 548 3.208 -3.423 -2.983 1.00 0.00 N ATOM 616 CA MET A 548 2.910 -3.064 -4.364 1.00 0.00 C ATOM 617 C MET A 548 1.452 -3.343 -4.707 1.00 0.00 C ATOM 618 O MET A 548 1.129 -3.724 -5.832 1.00 0.00 O ATOM 619 CB MET A 548 3.811 -3.826 -5.323 1.00 0.00 C ATOM 620 CG MET A 548 5.281 -3.804 -4.933 1.00 0.00 C ATOM 621 SD MET A 548 5.973 -5.457 -4.724 1.00 0.00 S ATOM 622 CE MET A 548 5.669 -5.728 -2.980 1.00 0.00 C ATOM 0 H MET A 548 3.825 -4.228 -2.875 1.00 0.00 H new ATOM 0 HA MET A 548 3.094 -1.995 -4.469 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.475 -4.861 -5.378 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.703 -3.403 -6.322 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.847 -3.272 -5.697 1.00 0.00 H new ATOM 0 HG3 MET A 548 5.398 -3.246 -4.004 1.00 0.00 H new ATOM 0 HE1 MET A 548 6.488 -6.308 -2.554 1.00 0.00 H new ATOM 0 HE2 MET A 548 5.600 -4.768 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 548 4.734 -6.274 -2.854 1.00 0.00 H new ATOM 632 N HIS A 549 0.574 -3.132 -3.738 1.00 0.00 N ATOM 633 CA HIS A 549 -0.850 -3.338 -3.937 1.00 0.00 C ATOM 634 C HIS A 549 -1.553 -1.990 -3.986 1.00 0.00 C ATOM 635 O HIS A 549 -2.675 -1.878 -4.475 1.00 0.00 O ATOM 636 CB HIS A 549 -1.433 -4.198 -2.811 1.00 0.00 C ATOM 637 CG HIS A 549 -0.490 -5.249 -2.311 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.116 -5.357 -0.988 1.00 0.00 N ATOM 639 CD2 HIS A 549 0.161 -6.240 -2.965 1.00 0.00 C ATOM 640 CE1 HIS A 549 0.726 -6.366 -0.851 1.00 0.00 C ATOM 641 NE2 HIS A 549 0.909 -6.918 -2.036 1.00 0.00 N ATOM 0 H HIS A 549 0.826 -2.816 -2.801 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.005 -3.862 -4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -1.717 -3.551 -1.981 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.344 -4.679 -3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 549 0.102 -6.456 -4.021 1.00 0.00 H new ATOM 0 HE1 HIS A 549 1.186 -6.685 0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 549 1.510 -7.719 -2.230 1.00 0.00 H new ATOM 650 N ASN A 550 -0.860 -0.967 -3.486 1.00 0.00 N ATOM 651 CA ASN A 550 -1.382 0.399 -3.469 1.00 0.00 C ATOM 652 C ASN A 550 -2.611 0.537 -2.572 1.00 0.00 C ATOM 653 O ASN A 550 -2.612 1.340 -1.644 1.00 0.00 O ATOM 654 CB ASN A 550 -1.711 0.859 -4.890 1.00 0.00 C ATOM 655 CG ASN A 550 -0.525 1.524 -5.567 1.00 0.00 C ATOM 656 OD1 ASN A 550 0.671 0.997 -5.319 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 -0.683 2.497 -6.304 1.00 0.00 N flip ATOM 0 H ASN A 550 0.073 -1.061 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.603 1.038 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.032 0.002 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.548 1.557 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -1.619 2.868 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.122 2.933 -6.753 1.00 0.00 H new ATOM 664 N GLN A 551 -3.654 -0.237 -2.868 1.00 0.00 N ATOM 665 CA GLN A 551 -4.909 -0.211 -2.114 1.00 0.00 C ATOM 666 C GLN A 551 -5.892 0.748 -2.768 1.00 0.00 C ATOM 667 O GLN A 551 -5.569 1.906 -3.032 1.00 0.00 O ATOM 668 CB GLN A 551 -4.696 0.163 -0.644 1.00 0.00 C ATOM 669 CG GLN A 551 -3.649 -0.689 0.056 1.00 0.00 C ATOM 670 CD GLN A 551 -3.645 -0.488 1.559 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.936 0.602 2.052 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.313 -1.541 2.297 1.00 0.00 N ATOM 0 H GLN A 551 -3.654 -0.903 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.321 -1.220 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.400 1.210 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.643 0.069 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.833 -1.740 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.663 -0.447 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.079 -2.426 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.292 -1.465 3.314 1.00 0.00 H new ATOM 681 N ASP A 552 -7.088 0.247 -3.039 1.00 0.00 N ATOM 682 CA ASP A 552 -8.126 1.046 -3.683 1.00 0.00 C ATOM 683 C ASP A 552 -9.524 0.544 -3.322 1.00 0.00 C ATOM 684 O ASP A 552 -10.338 0.258 -4.200 1.00 0.00 O ATOM 685 CB ASP A 552 -7.941 1.021 -5.201 1.00 0.00 C ATOM 686 CG ASP A 552 -8.262 2.355 -5.845 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.967 3.167 -5.210 1.00 0.00 O ATOM 688 OD2 ASP A 552 -7.808 2.589 -6.985 1.00 0.00 O ATOM 0 H ASP A 552 -7.366 -0.710 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.031 2.070 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.912 0.746 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.582 0.250 -5.630 1.00 0.00 H new ATOM 693 N GLY A 553 -9.798 0.445 -2.026 1.00 0.00 N ATOM 694 CA GLY A 553 -11.099 -0.016 -1.576 1.00 0.00 C ATOM 695 C GLY A 553 -11.265 -1.518 -1.691 1.00 0.00 C ATOM 696 O GLY A 553 -12.335 -2.005 -2.058 1.00 0.00 O ATOM 0 H GLY A 553 -9.143 0.676 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.245 0.282 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.876 0.476 -2.161 1.00 0.00 H new ATOM 700 N LEU A 554 -10.210 -2.256 -1.378 1.00 0.00 N ATOM 701 CA LEU A 554 -10.251 -3.711 -1.447 1.00 0.00 C ATOM 702 C LEU A 554 -10.523 -4.318 -0.076 1.00 0.00 C ATOM 703 O LEU A 554 -10.969 -5.460 0.030 1.00 0.00 O ATOM 704 CB LEU A 554 -8.930 -4.256 -1.991 1.00 0.00 C ATOM 705 CG LEU A 554 -8.574 -3.814 -3.412 1.00 0.00 C ATOM 706 CD1 LEU A 554 -7.448 -4.671 -3.966 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.796 -3.883 -4.317 1.00 0.00 C ATOM 0 H LEU A 554 -9.315 -1.872 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 554 -11.063 -3.988 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -8.127 -3.950 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.968 -5.345 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.235 -2.779 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -7.206 -4.344 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.568 -4.569 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.762 -5.715 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -9.522 -3.565 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -10.168 -4.907 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -10.574 -3.226 -3.928 1.00 0.00 H new ATOM 719 N ILE A 555 -10.232 -3.555 0.970 1.00 0.00 N ATOM 720 CA ILE A 555 -10.427 -4.026 2.333 1.00 0.00 C ATOM 721 C ILE A 555 -11.584 -3.305 3.033 1.00 0.00 C ATOM 722 O ILE A 555 -12.170 -3.831 3.977 1.00 0.00 O ATOM 723 CB ILE A 555 -9.135 -3.861 3.160 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.923 -4.359 2.366 1.00 0.00 C ATOM 725 CG2 ILE A 555 -9.248 -4.611 4.476 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.862 -3.304 2.158 1.00 0.00 C ATOM 0 H ILE A 555 -9.860 -2.608 0.899 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.681 -5.084 2.267 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.997 -2.801 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.482 -5.209 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -8.259 -4.721 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.328 -4.484 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -10.088 -4.217 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.409 -5.671 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.035 -3.727 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.287 -2.463 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.498 -2.959 3.126 1.00 0.00 H new ATOM 738 N CYS A 556 -11.911 -2.101 2.568 1.00 0.00 N ATOM 739 CA CYS A 556 -13.002 -1.322 3.161 1.00 0.00 C ATOM 740 C CYS A 556 -14.352 -1.975 2.920 1.00 0.00 C ATOM 741 O CYS A 556 -15.347 -1.610 3.547 1.00 0.00 O ATOM 742 CB CYS A 556 -13.003 0.107 2.609 1.00 0.00 C ATOM 743 SG CYS A 556 -14.075 1.286 3.511 1.00 0.00 S ATOM 0 H CYS A 556 -11.441 -1.644 1.787 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.833 -1.289 4.237 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.981 0.486 2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.319 0.077 1.566 1.00 0.00 H new ATOM 748 N GLY A 557 -14.386 -2.942 2.019 1.00 0.00 N ATOM 749 CA GLY A 557 -15.615 -3.627 1.726 1.00 0.00 C ATOM 750 C GLY A 557 -15.359 -4.923 1.009 1.00 0.00 C ATOM 751 O GLY A 557 -14.684 -5.810 1.533 1.00 0.00 O ATOM 0 H GLY A 557 -13.578 -3.263 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -16.155 -3.822 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -16.252 -2.989 1.113 1.00 0.00 H new ATOM 755 N LEU A 558 -15.893 -5.034 -0.190 1.00 0.00 N ATOM 756 CA LEU A 558 -15.721 -6.237 -0.986 1.00 0.00 C ATOM 757 C LEU A 558 -15.728 -5.909 -2.478 1.00 0.00 C ATOM 758 O LEU A 558 -15.018 -6.536 -3.263 1.00 0.00 O ATOM 759 CB LEU A 558 -16.820 -7.248 -0.650 1.00 0.00 C ATOM 760 CG LEU A 558 -17.626 -6.953 0.624 1.00 0.00 C ATOM 761 CD1 LEU A 558 -18.956 -7.689 0.593 1.00 0.00 C ATOM 762 CD2 LEU A 558 -16.829 -7.331 1.869 1.00 0.00 C ATOM 0 H LEU A 558 -16.451 -4.306 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.753 -6.677 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -17.511 -7.300 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -16.364 -8.233 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 558 -17.826 -5.882 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -19.515 -7.469 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -19.532 -7.364 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -18.777 -8.762 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -17.419 -7.113 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -16.593 -8.395 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -15.904 -6.755 1.898 1.00 0.00 H new ATOM 774 N ARG A 559 -16.531 -4.920 -2.861 1.00 0.00 N ATOM 775 CA ARG A 559 -16.626 -4.507 -4.255 1.00 0.00 C ATOM 776 C ARG A 559 -16.689 -2.985 -4.367 1.00 0.00 C ATOM 777 O ARG A 559 -17.475 -2.443 -5.144 1.00 0.00 O ATOM 778 CB ARG A 559 -17.860 -5.130 -4.907 1.00 0.00 C ATOM 779 CG ARG A 559 -19.085 -5.143 -4.007 1.00 0.00 C ATOM 780 CD ARG A 559 -20.366 -4.961 -4.803 1.00 0.00 C ATOM 781 NE ARG A 559 -21.318 -4.091 -4.116 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.132 -2.785 -3.935 1.00 0.00 C ATOM 783 NH1 ARG A 559 -20.035 -2.193 -4.391 1.00 0.00 N ATOM 784 NH2 ARG A 559 -22.046 -2.068 -3.295 1.00 0.00 N ATOM 0 H ARG A 559 -17.125 -4.390 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.734 -4.855 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -18.095 -4.580 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.627 -6.153 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -19.126 -6.086 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -19.001 -4.349 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -20.129 -4.539 -5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.825 -5.934 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 559 -22.175 -4.509 -3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.328 -2.739 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -19.899 -1.192 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -22.891 -2.517 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.904 -1.068 -3.156 1.00 0.00 H new ATOM 798 N GLN A 560 -15.857 -2.300 -3.586 1.00 0.00 N ATOM 799 CA GLN A 560 -15.821 -0.836 -3.597 1.00 0.00 C ATOM 800 C GLN A 560 -15.727 -0.303 -5.026 1.00 0.00 C ATOM 801 O GLN A 560 -16.461 0.654 -5.349 1.00 0.00 O ATOM 802 CB GLN A 560 -14.636 -0.311 -2.774 1.00 0.00 C ATOM 803 CG GLN A 560 -14.725 -0.602 -1.278 1.00 0.00 C ATOM 804 CD GLN A 560 -16.150 -0.602 -0.753 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.828 -1.736 -0.889 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.634 0.403 -0.234 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -14.920 -0.848 -5.808 1.00 0.00 O ATOM 0 H GLN A 560 -15.199 -2.733 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.749 -0.482 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.717 -0.750 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.560 0.767 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.270 -1.571 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.144 0.143 -0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.076 1.253 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.593 0.386 0.113 1.00 0.00 H new