USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=6 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= -9.1! C(o=-13!,f=-15!) USER MOD Set 1.2: A 550 ASN : amide:sc= -3.71! C(o=-13!,f=-13!) USER MOD Set 2.1: A 512 ASN : amide:sc= -2.08 K(o=-2.2,f=-0.095) USER MOD Set 2.2: A 516 HIS : no HD1:sc= -0.083 K(o=-2.2,f=-0.095) USER MOD Single : A 508 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.1) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -4.01 K(o=-4,f=-5.4!) 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 -35:sc= -1.99 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 -165:sc= -4.57! (180deg=-6.65!) USER MOD Single : A 549 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 551 GLN : amide:sc= -2.55 K(o=-2.6,f=-10!) USER MOD Single : A 560 GLN : amide:sc= -2.89 K(o=-2.9,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -11.497 -8.524 -0.907 1.00 0.00 N ATOM 2 CA ALA A 507 -11.493 -9.931 -0.430 1.00 0.00 C ATOM 3 C ALA A 507 -10.889 -10.033 0.967 1.00 0.00 C ATOM 4 O ALA A 507 -10.138 -10.963 1.263 1.00 0.00 O ATOM 5 CB ALA A 507 -10.724 -10.813 -1.402 1.00 0.00 C ATOM 0 HA ALA A 507 -12.526 -10.276 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -10.728 -11.842 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -11.196 -10.771 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -9.696 -10.460 -1.479 1.00 0.00 H new ATOM 13 N GLN A 508 -11.223 -9.072 1.822 1.00 0.00 N ATOM 14 CA GLN A 508 -10.713 -9.054 3.189 1.00 0.00 C ATOM 15 C GLN A 508 -11.294 -7.877 3.972 1.00 0.00 C ATOM 16 O GLN A 508 -11.278 -6.740 3.500 1.00 0.00 O ATOM 17 CB GLN A 508 -9.185 -8.971 3.183 1.00 0.00 C ATOM 18 CG GLN A 508 -8.631 -8.024 2.131 1.00 0.00 C ATOM 19 CD GLN A 508 -7.115 -7.995 2.112 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.461 -8.595 2.964 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.548 -7.295 1.136 1.00 0.00 N ATOM 0 H GLN A 508 -11.844 -8.296 1.593 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.019 -9.979 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.843 -8.648 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.776 -9.967 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -8.997 -8.324 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -9.008 -7.018 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.129 -6.813 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.532 -7.240 1.072 1.00 0.00 H new ATOM 30 N PRO A 509 -11.824 -8.133 5.183 1.00 0.00 N ATOM 31 CA PRO A 509 -12.417 -7.099 6.030 1.00 0.00 C ATOM 32 C PRO A 509 -11.396 -6.447 6.955 1.00 0.00 C ATOM 33 O PRO A 509 -10.871 -7.081 7.870 1.00 0.00 O ATOM 34 CB PRO A 509 -13.410 -7.907 6.841 1.00 0.00 C ATOM 35 CG PRO A 509 -12.657 -9.155 7.110 1.00 0.00 C ATOM 36 CD PRO A 509 -11.904 -9.456 5.837 1.00 0.00 C ATOM 0 HA PRO A 509 -12.843 -6.274 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.694 -7.397 7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.329 -8.098 6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.973 -9.027 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.331 -9.971 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -10.915 -9.867 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.431 -10.182 5.218 1.00 0.00 H new ATOM 44 N LYS A 510 -11.131 -5.179 6.710 1.00 0.00 N ATOM 45 CA LYS A 510 -10.176 -4.414 7.515 1.00 0.00 C ATOM 46 C LYS A 510 -10.506 -2.928 7.487 1.00 0.00 C ATOM 47 O LYS A 510 -10.634 -2.283 8.527 1.00 0.00 O ATOM 48 CB LYS A 510 -8.750 -4.646 7.011 1.00 0.00 C ATOM 49 CG LYS A 510 -8.043 -5.799 7.704 1.00 0.00 C ATOM 50 CD LYS A 510 -6.861 -6.305 6.891 1.00 0.00 C ATOM 51 CE LYS A 510 -6.842 -7.824 6.811 1.00 0.00 C ATOM 52 NZ LYS A 510 -5.624 -8.398 7.447 1.00 0.00 N ATOM 0 H LYS A 510 -11.563 -4.646 5.955 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.249 -4.761 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.779 -4.840 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.169 -3.735 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.698 -5.476 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.749 -6.614 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.906 -5.888 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -5.933 -5.953 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.730 -8.224 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -6.886 -8.133 5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -5.649 -9.435 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -4.777 -8.036 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.594 -8.125 8.450 1.00 0.00 H new ATOM 66 N CYS A 511 -10.643 -2.409 6.281 1.00 0.00 N ATOM 67 CA CYS A 511 -10.968 -1.003 6.046 1.00 0.00 C ATOM 68 C CYS A 511 -9.761 -0.098 6.226 1.00 0.00 C ATOM 69 O CYS A 511 -9.853 0.977 6.819 1.00 0.00 O ATOM 70 CB CYS A 511 -12.132 -0.543 6.927 1.00 0.00 C ATOM 71 SG CYS A 511 -13.700 -0.323 6.017 1.00 0.00 S ATOM 0 H CYS A 511 -10.532 -2.952 5.425 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.280 -0.923 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.284 -1.272 7.723 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.864 0.399 7.405 1.00 0.00 H new ATOM 76 N ASN A 512 -8.639 -0.526 5.669 1.00 0.00 N ATOM 77 CA ASN A 512 -7.419 0.261 5.720 1.00 0.00 C ATOM 78 C ASN A 512 -6.763 0.351 4.339 1.00 0.00 C ATOM 79 O ASN A 512 -5.536 0.393 4.237 1.00 0.00 O ATOM 80 CB ASN A 512 -6.429 -0.331 6.726 1.00 0.00 C ATOM 81 CG ASN A 512 -5.535 0.726 7.355 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.153 0.614 8.521 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.193 1.762 6.589 1.00 0.00 N ATOM 0 H ASN A 512 -8.549 -1.415 5.176 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.691 1.266 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.980 -0.850 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -5.809 -1.075 6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.595 2.498 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.530 1.819 5.628 1.00 0.00 H new ATOM 90 N PRO A 513 -7.559 0.385 3.249 1.00 0.00 N ATOM 91 CA PRO A 513 -7.018 0.472 1.893 1.00 0.00 C ATOM 92 C PRO A 513 -6.623 1.902 1.505 1.00 0.00 C ATOM 93 O PRO A 513 -5.549 2.374 1.880 1.00 0.00 O ATOM 94 CB PRO A 513 -8.176 -0.032 1.039 1.00 0.00 C ATOM 95 CG PRO A 513 -9.389 0.420 1.775 1.00 0.00 C ATOM 96 CD PRO A 513 -9.039 0.338 3.238 1.00 0.00 C ATOM 0 HA PRO A 513 -6.098 -0.100 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.141 0.385 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.153 -1.117 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.659 1.438 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.245 -0.213 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.470 1.167 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.414 -0.581 3.688 1.00 0.00 H new ATOM 104 N ASN A 514 -7.479 2.584 0.742 1.00 0.00 N ATOM 105 CA ASN A 514 -7.191 3.940 0.302 1.00 0.00 C ATOM 106 C ASN A 514 -7.531 4.973 1.377 1.00 0.00 C ATOM 107 O ASN A 514 -7.476 6.176 1.129 1.00 0.00 O ATOM 108 CB ASN A 514 -7.955 4.243 -0.991 1.00 0.00 C ATOM 109 CG ASN A 514 -9.442 4.450 -0.764 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.850 5.313 0.012 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.262 3.660 -1.447 1.00 0.00 N ATOM 0 H ASN A 514 -8.374 2.216 0.419 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.120 4.009 0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.536 5.136 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.811 3.422 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.272 3.757 -1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.882 2.957 -2.081 1.00 0.00 H new ATOM 118 N LEU A 515 -7.877 4.504 2.570 1.00 0.00 N ATOM 119 CA LEU A 515 -8.211 5.400 3.667 1.00 0.00 C ATOM 120 C LEU A 515 -7.030 5.528 4.620 1.00 0.00 C ATOM 121 O LEU A 515 -7.189 5.534 5.841 1.00 0.00 O ATOM 122 CB LEU A 515 -9.454 4.892 4.398 1.00 0.00 C ATOM 123 CG LEU A 515 -10.698 4.753 3.514 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.887 6.002 2.665 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.591 3.517 2.628 1.00 0.00 C ATOM 0 H LEU A 515 -7.933 3.512 2.801 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.431 6.389 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.228 3.922 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.681 5.572 5.219 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.569 4.637 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.775 5.888 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.008 6.869 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.014 6.145 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.484 3.436 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.712 3.602 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.501 2.628 3.253 1.00 0.00 H new ATOM 137 N HIS A 516 -5.844 5.631 4.031 1.00 0.00 N ATOM 138 CA HIS A 516 -4.600 5.760 4.782 1.00 0.00 C ATOM 139 C HIS A 516 -3.412 5.722 3.826 1.00 0.00 C ATOM 140 O HIS A 516 -2.405 6.394 4.040 1.00 0.00 O ATOM 141 CB HIS A 516 -4.473 4.641 5.820 1.00 0.00 C ATOM 142 CG HIS A 516 -3.991 5.117 7.155 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.361 4.526 8.344 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.159 6.135 7.486 1.00 0.00 C ATOM 145 CE1 HIS A 516 -3.780 5.159 9.348 1.00 0.00 C ATOM 146 NE2 HIS A 516 -3.046 6.137 8.855 1.00 0.00 N ATOM 0 H HIS A 516 -5.717 5.627 3.019 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.610 6.715 5.307 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.443 4.159 5.943 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.786 3.883 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.676 6.817 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.888 4.916 10.395 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.485 6.790 9.402 1.00 0.00 H new ATOM 155 N TYR A 517 -3.553 4.923 2.769 1.00 0.00 N ATOM 156 CA TYR A 517 -2.512 4.769 1.748 1.00 0.00 C ATOM 157 C TYR A 517 -1.803 6.097 1.456 1.00 0.00 C ATOM 158 O TYR A 517 -0.583 6.140 1.299 1.00 0.00 O ATOM 159 CB TYR A 517 -3.131 4.195 0.464 1.00 0.00 C ATOM 160 CG TYR A 517 -3.841 5.221 -0.401 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.917 5.949 0.092 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.437 5.455 -1.708 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.569 6.882 -0.693 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.083 6.386 -2.501 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.149 7.095 -1.989 1.00 0.00 C ATOM 166 OH TYR A 517 -5.797 8.021 -2.775 1.00 0.00 O ATOM 0 H TYR A 517 -4.389 4.365 2.595 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.760 4.078 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.345 3.723 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.840 3.413 0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.250 5.783 1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.603 4.900 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.402 7.441 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.754 6.557 -3.516 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.377 8.050 -3.660 1.00 0.00 H new ATOM 176 N TRP A 518 -2.580 7.173 1.393 1.00 0.00 N ATOM 177 CA TRP A 518 -2.046 8.507 1.132 1.00 0.00 C ATOM 178 C TRP A 518 -1.170 8.971 2.287 1.00 0.00 C ATOM 179 O TRP A 518 -1.613 9.724 3.153 1.00 0.00 O ATOM 180 CB TRP A 518 -3.197 9.493 0.935 1.00 0.00 C ATOM 181 CG TRP A 518 -4.293 9.313 1.945 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.171 8.773 3.194 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.672 9.658 1.790 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.387 8.765 3.825 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.327 9.305 2.985 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.414 10.233 0.758 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.691 9.510 3.174 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.768 10.437 0.945 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.394 10.077 2.146 1.00 0.00 C ATOM 0 H TRP A 518 -3.592 7.147 1.520 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.439 8.466 0.228 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.813 10.511 0.999 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.608 9.370 -0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.250 8.406 3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.564 8.414 4.766 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.939 10.514 -0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.176 9.232 4.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.353 10.881 0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.454 10.251 2.263 1.00 0.00 H new ATOM 200 N THR A 519 0.070 8.508 2.307 1.00 0.00 N ATOM 201 CA THR A 519 0.991 8.868 3.373 1.00 0.00 C ATOM 202 C THR A 519 2.415 8.474 3.013 1.00 0.00 C ATOM 203 O THR A 519 3.319 9.309 2.982 1.00 0.00 O ATOM 204 CB THR A 519 0.563 8.170 4.659 1.00 0.00 C ATOM 205 OG1 THR A 519 1.551 8.306 5.664 1.00 0.00 O ATOM 206 CG2 THR A 519 0.284 6.694 4.474 1.00 0.00 C ATOM 0 H THR A 519 0.461 7.885 1.600 1.00 0.00 H new ATOM 0 HA THR A 519 0.966 9.948 3.515 1.00 0.00 H new ATOM 0 HB THR A 519 -0.363 8.661 4.957 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.253 7.851 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.016 6.258 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.518 6.564 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.184 6.196 4.114 1.00 0.00 H new ATOM 214 N THR A 520 2.595 7.196 2.726 1.00 0.00 N ATOM 215 CA THR A 520 3.892 6.668 2.345 1.00 0.00 C ATOM 216 C THR A 520 3.801 6.009 0.975 1.00 0.00 C ATOM 217 O THR A 520 4.809 5.595 0.404 1.00 0.00 O ATOM 218 CB THR A 520 4.394 5.665 3.387 1.00 0.00 C ATOM 219 OG1 THR A 520 5.751 5.339 3.154 1.00 0.00 O ATOM 220 CG2 THR A 520 3.609 4.370 3.410 1.00 0.00 C ATOM 0 H THR A 520 1.850 6.499 2.750 1.00 0.00 H new ATOM 0 HA THR A 520 4.604 7.492 2.295 1.00 0.00 H new ATOM 0 HB THR A 520 4.263 6.163 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.922 5.323 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.021 3.708 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.565 4.582 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.676 3.887 2.435 1.00 0.00 H new ATOM 228 N GLN A 521 2.580 5.923 0.444 1.00 0.00 N ATOM 229 CA GLN A 521 2.363 5.328 -0.858 1.00 0.00 C ATOM 230 C GLN A 521 2.282 6.419 -1.926 1.00 0.00 C ATOM 231 O GLN A 521 2.805 6.279 -3.030 1.00 0.00 O ATOM 232 CB GLN A 521 1.096 4.455 -0.846 1.00 0.00 C ATOM 233 CG GLN A 521 -0.164 5.178 -1.296 1.00 0.00 C ATOM 234 CD GLN A 521 -0.270 5.267 -2.803 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.099 4.274 -3.506 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.553 6.461 -3.302 1.00 0.00 N ATOM 0 H GLN A 521 1.733 6.260 0.902 1.00 0.00 H new ATOM 0 HA GLN A 521 3.206 4.681 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.257 3.592 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.941 4.073 0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.038 4.659 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.174 6.183 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.686 7.256 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.638 6.585 -4.311 1.00 0.00 H new ATOM 245 N ASP A 522 1.638 7.512 -1.567 1.00 0.00 N ATOM 246 CA ASP A 522 1.493 8.656 -2.465 1.00 0.00 C ATOM 247 C ASP A 522 2.663 9.621 -2.303 1.00 0.00 C ATOM 248 O ASP A 522 2.705 10.683 -2.924 1.00 0.00 O ATOM 249 CB ASP A 522 0.179 9.383 -2.189 1.00 0.00 C ATOM 250 CG ASP A 522 -0.627 9.622 -3.451 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.483 8.832 -4.407 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.405 10.601 -3.483 1.00 0.00 O ATOM 0 H ASP A 522 1.201 7.639 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 522 1.487 8.285 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.416 8.799 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.390 10.339 -1.710 1.00 0.00 H new ATOM 257 N GLU A 523 3.605 9.232 -1.460 1.00 0.00 N ATOM 258 CA GLU A 523 4.791 10.031 -1.185 1.00 0.00 C ATOM 259 C GLU A 523 6.018 9.134 -1.169 1.00 0.00 C ATOM 260 O GLU A 523 7.136 9.572 -1.438 1.00 0.00 O ATOM 261 CB GLU A 523 4.640 10.753 0.154 1.00 0.00 C ATOM 262 CG GLU A 523 3.196 11.069 0.499 1.00 0.00 C ATOM 263 CD GLU A 523 3.057 12.305 1.366 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.528 12.274 2.524 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.479 13.303 0.889 1.00 0.00 O ATOM 0 H GLU A 523 3.570 8.352 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 523 4.910 10.780 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.070 10.136 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.212 11.680 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.630 11.211 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.756 10.216 1.016 1.00 0.00 H new ATOM 272 N GLY A 524 5.785 7.864 -0.867 1.00 0.00 N ATOM 273 CA GLY A 524 6.851 6.892 -0.837 1.00 0.00 C ATOM 274 C GLY A 524 6.668 5.842 -1.913 1.00 0.00 C ATOM 275 O GLY A 524 7.640 5.254 -2.388 1.00 0.00 O ATOM 0 H GLY A 524 4.864 7.490 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.808 7.395 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.881 6.412 0.141 1.00 0.00 H new ATOM 279 N ALA A 525 5.413 5.617 -2.311 1.00 0.00 N ATOM 280 CA ALA A 525 5.105 4.641 -3.350 1.00 0.00 C ATOM 281 C ALA A 525 4.781 5.335 -4.666 1.00 0.00 C ATOM 282 O ALA A 525 4.148 4.761 -5.552 1.00 0.00 O ATOM 283 CB ALA A 525 3.954 3.741 -2.917 1.00 0.00 C ATOM 0 H ALA A 525 4.599 6.098 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 525 5.986 4.019 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.739 3.020 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.230 3.211 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.068 4.348 -2.730 1.00 0.00 H new ATOM 289 N ALA A 526 5.228 6.575 -4.772 1.00 0.00 N ATOM 290 CA ALA A 526 5.005 7.382 -5.966 1.00 0.00 C ATOM 291 C ALA A 526 6.259 8.163 -6.355 1.00 0.00 C ATOM 292 O ALA A 526 6.272 8.868 -7.365 1.00 0.00 O ATOM 293 CB ALA A 526 3.853 8.342 -5.732 1.00 0.00 C ATOM 0 H ALA A 526 5.753 7.051 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 526 4.760 6.708 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.692 8.942 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.949 7.777 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.090 8.998 -4.894 1.00 0.00 H new ATOM 299 N ILE A 527 7.303 8.050 -5.542 1.00 0.00 N ATOM 300 CA ILE A 527 8.547 8.757 -5.786 1.00 0.00 C ATOM 301 C ILE A 527 9.737 7.980 -5.223 1.00 0.00 C ATOM 302 O ILE A 527 10.797 7.912 -5.845 1.00 0.00 O ATOM 303 CB ILE A 527 8.520 10.164 -5.152 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.468 10.231 -4.026 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.262 11.224 -6.215 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.115 10.765 -4.457 1.00 0.00 C ATOM 0 H ILE A 527 7.308 7.470 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 527 8.657 8.853 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 527 9.495 10.365 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.334 9.232 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.853 10.860 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.246 12.210 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.053 11.189 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.301 11.033 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.439 10.777 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.230 11.778 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.703 10.125 -5.237 1.00 0.00 H new ATOM 318 N GLY A 528 9.554 7.405 -4.036 1.00 0.00 N ATOM 319 CA GLY A 528 10.618 6.650 -3.401 1.00 0.00 C ATOM 320 C GLY A 528 10.946 5.360 -4.127 1.00 0.00 C ATOM 321 O GLY A 528 11.245 5.372 -5.321 1.00 0.00 O ATOM 0 H GLY A 528 8.685 7.450 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.514 7.269 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.330 6.420 -2.375 1.00 0.00 H new ATOM 325 N LEU A 529 10.905 4.244 -3.402 1.00 0.00 N ATOM 326 CA LEU A 529 11.218 2.949 -3.991 1.00 0.00 C ATOM 327 C LEU A 529 10.135 1.912 -3.696 1.00 0.00 C ATOM 328 O LEU A 529 10.249 1.125 -2.757 1.00 0.00 O ATOM 329 CB LEU A 529 12.574 2.454 -3.482 1.00 0.00 C ATOM 330 CG LEU A 529 13.557 2.029 -4.574 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.860 3.197 -5.500 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.838 1.490 -3.955 1.00 0.00 C ATOM 0 H LEU A 529 10.660 4.212 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 529 11.262 3.080 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 529 13.033 3.244 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.408 1.609 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 529 13.099 1.234 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.561 2.878 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.937 3.539 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.300 4.012 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.527 1.192 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.301 2.265 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.606 0.626 -3.332 1.00 0.00 H new ATOM 344 N ALA A 530 9.097 1.908 -4.524 1.00 0.00 N ATOM 345 CA ALA A 530 7.998 0.957 -4.385 1.00 0.00 C ATOM 346 C ALA A 530 7.821 0.156 -5.670 1.00 0.00 C ATOM 347 O ALA A 530 6.922 -0.677 -5.787 1.00 0.00 O ATOM 348 CB ALA A 530 6.715 1.683 -4.046 1.00 0.00 C ATOM 0 H ALA A 530 8.992 2.557 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 530 8.238 0.269 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.904 0.961 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.839 2.222 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.476 2.389 -4.841 1.00 0.00 H new ATOM 354 N TRP A 531 8.701 0.419 -6.625 1.00 0.00 N ATOM 355 CA TRP A 531 8.691 -0.253 -7.915 1.00 0.00 C ATOM 356 C TRP A 531 9.772 -1.324 -7.937 1.00 0.00 C ATOM 357 O TRP A 531 10.249 -1.724 -8.999 1.00 0.00 O ATOM 358 CB TRP A 531 8.939 0.767 -9.036 1.00 0.00 C ATOM 359 CG TRP A 531 9.562 2.031 -8.533 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.834 2.181 -8.067 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.932 3.310 -8.412 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.034 3.472 -7.656 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.884 4.190 -7.864 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.658 3.798 -8.715 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.598 5.532 -7.611 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.375 5.128 -8.465 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.341 5.982 -7.919 1.00 0.00 C ATOM 0 H TRP A 531 9.446 1.109 -6.526 1.00 0.00 H new ATOM 0 HA TRP A 531 7.719 -0.720 -8.073 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.587 0.322 -9.791 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.994 1.001 -9.525 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.575 1.397 -8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.899 3.840 -7.259 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.907 3.147 -9.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.341 6.192 -7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.393 5.514 -8.695 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.090 7.017 -7.737 1.00 0.00 H new ATOM 378 N ILE A 532 10.167 -1.769 -6.746 1.00 0.00 N ATOM 379 CA ILE A 532 11.206 -2.779 -6.619 1.00 0.00 C ATOM 380 C ILE A 532 10.817 -3.856 -5.598 1.00 0.00 C ATOM 381 O ILE A 532 10.611 -3.561 -4.421 1.00 0.00 O ATOM 382 CB ILE A 532 12.561 -2.137 -6.220 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.602 -1.783 -4.729 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.827 -0.889 -7.054 1.00 0.00 C ATOM 385 CD1 ILE A 532 11.499 -0.841 -4.299 1.00 0.00 C ATOM 0 H ILE A 532 9.782 -1.445 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 532 11.316 -3.253 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 532 13.340 -2.874 -6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 532 12.533 -2.700 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.566 -1.330 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.781 -0.452 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.860 -1.157 -8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.030 -0.164 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 532 11.591 -0.635 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.579 0.092 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 532 10.531 -1.300 -4.497 1.00 0.00 H new ATOM 397 N PRO A 533 10.709 -5.129 -6.031 1.00 0.00 N ATOM 398 CA PRO A 533 10.352 -6.235 -5.150 1.00 0.00 C ATOM 399 C PRO A 533 11.574 -6.827 -4.446 1.00 0.00 C ATOM 400 O PRO A 533 11.506 -7.917 -3.877 1.00 0.00 O ATOM 401 CB PRO A 533 9.729 -7.268 -6.101 1.00 0.00 C ATOM 402 CG PRO A 533 10.007 -6.791 -7.499 1.00 0.00 C ATOM 403 CD PRO A 533 10.924 -5.599 -7.401 1.00 0.00 C ATOM 0 HA PRO A 533 9.683 -5.919 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.160 -8.255 -5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 533 8.656 -7.356 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 533 10.470 -7.582 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.079 -6.520 -8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.964 -5.875 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.671 -4.834 -8.135 1.00 0.00 H new ATOM 411 N TYR A 534 12.689 -6.105 -4.499 1.00 0.00 N ATOM 412 CA TYR A 534 13.931 -6.552 -3.879 1.00 0.00 C ATOM 413 C TYR A 534 13.750 -6.828 -2.387 1.00 0.00 C ATOM 414 O TYR A 534 14.312 -7.785 -1.855 1.00 0.00 O ATOM 415 CB TYR A 534 15.021 -5.496 -4.096 1.00 0.00 C ATOM 416 CG TYR A 534 16.279 -5.718 -3.283 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.725 -7.000 -2.984 1.00 0.00 C ATOM 418 CD2 TYR A 534 17.019 -4.640 -2.815 1.00 0.00 C ATOM 419 CE1 TYR A 534 17.873 -7.199 -2.241 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.167 -4.831 -2.072 1.00 0.00 C ATOM 421 CZ TYR A 534 18.590 -6.112 -1.787 1.00 0.00 C ATOM 422 OH TYR A 534 19.734 -6.305 -1.047 1.00 0.00 O ATOM 0 H TYR A 534 12.757 -5.202 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 534 14.229 -7.489 -4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.285 -5.476 -5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.613 -4.515 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.166 -7.854 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.691 -3.635 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.207 -8.201 -2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.731 -3.981 -1.716 1.00 0.00 H new ATOM 0 HH TYR A 534 20.119 -5.436 -0.807 1.00 0.00 H new ATOM 432 N PHE A 535 12.974 -5.984 -1.712 1.00 0.00 N ATOM 433 CA PHE A 535 12.741 -6.147 -0.279 1.00 0.00 C ATOM 434 C PHE A 535 11.271 -6.426 0.023 1.00 0.00 C ATOM 435 O PHE A 535 10.953 -7.248 0.882 1.00 0.00 O ATOM 436 CB PHE A 535 13.204 -4.903 0.489 1.00 0.00 C ATOM 437 CG PHE A 535 13.290 -3.659 -0.352 1.00 0.00 C ATOM 438 CD1 PHE A 535 14.312 -3.502 -1.275 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.353 -2.648 -0.219 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.398 -2.359 -2.049 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.432 -1.504 -0.989 1.00 0.00 C ATOM 442 CZ PHE A 535 13.456 -1.360 -1.905 1.00 0.00 C ATOM 0 H PHE A 535 12.498 -5.185 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 535 13.324 -7.007 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.517 -4.723 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.183 -5.102 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 535 15.050 -4.282 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.550 -2.755 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.200 -2.248 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.694 -0.723 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.520 -0.466 -2.508 1.00 0.00 H new ATOM 452 N GLY A 536 10.379 -5.737 -0.680 1.00 0.00 N ATOM 453 CA GLY A 536 8.953 -5.929 -0.463 1.00 0.00 C ATOM 454 C GLY A 536 8.567 -5.813 1.005 1.00 0.00 C ATOM 455 O GLY A 536 8.563 -4.716 1.559 1.00 0.00 O ATOM 0 H GLY A 536 10.615 -5.050 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.398 -5.190 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.661 -6.911 -0.836 1.00 0.00 H new ATOM 459 N PRO A 537 8.239 -6.939 1.669 1.00 0.00 N ATOM 460 CA PRO A 537 7.856 -6.939 3.088 1.00 0.00 C ATOM 461 C PRO A 537 9.041 -6.680 4.019 1.00 0.00 C ATOM 462 O PRO A 537 8.878 -6.594 5.235 1.00 0.00 O ATOM 463 CB PRO A 537 7.305 -8.347 3.304 1.00 0.00 C ATOM 464 CG PRO A 537 8.005 -9.185 2.292 1.00 0.00 C ATOM 465 CD PRO A 537 8.218 -8.299 1.095 1.00 0.00 C ATOM 0 HA PRO A 537 7.144 -6.145 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.504 -8.699 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.225 -8.376 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 537 8.955 -9.552 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 537 7.409 -10.059 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.152 -8.533 0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.418 -8.413 0.364 1.00 0.00 H new ATOM 473 N ALA A 538 10.231 -6.557 3.439 1.00 0.00 N ATOM 474 CA ALA A 538 11.444 -6.306 4.210 1.00 0.00 C ATOM 475 C ALA A 538 11.580 -4.824 4.537 1.00 0.00 C ATOM 476 O ALA A 538 12.220 -4.452 5.521 1.00 0.00 O ATOM 477 CB ALA A 538 12.665 -6.795 3.444 1.00 0.00 C ATOM 0 H ALA A 538 10.381 -6.628 2.433 1.00 0.00 H new ATOM 0 HA ALA A 538 11.375 -6.856 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.564 -6.602 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 538 12.575 -7.866 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.732 -6.268 2.492 1.00 0.00 H new ATOM 483 N ALA A 539 10.956 -3.983 3.718 1.00 0.00 N ATOM 484 CA ALA A 539 10.987 -2.543 3.932 1.00 0.00 C ATOM 485 C ALA A 539 9.966 -2.151 4.990 1.00 0.00 C ATOM 486 O ALA A 539 9.951 -1.023 5.483 1.00 0.00 O ATOM 487 CB ALA A 539 10.692 -1.814 2.634 1.00 0.00 C ATOM 0 H ALA A 539 10.423 -4.276 2.899 1.00 0.00 H new ATOM 0 HA ALA A 539 11.982 -2.261 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.718 -0.738 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.442 -2.080 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.704 -2.100 2.273 1.00 0.00 H new ATOM 493 N GLU A 540 9.104 -3.108 5.312 1.00 0.00 N ATOM 494 CA GLU A 540 8.044 -2.932 6.287 1.00 0.00 C ATOM 495 C GLU A 540 8.479 -2.095 7.497 1.00 0.00 C ATOM 496 O GLU A 540 9.204 -2.569 8.373 1.00 0.00 O ATOM 497 CB GLU A 540 7.549 -4.316 6.713 1.00 0.00 C ATOM 498 CG GLU A 540 8.457 -5.027 7.706 1.00 0.00 C ATOM 499 CD GLU A 540 8.121 -6.498 7.851 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.947 -6.813 8.137 1.00 0.00 O ATOM 501 OE2 GLU A 540 9.033 -7.334 7.682 1.00 0.00 O ATOM 0 H GLU A 540 9.125 -4.039 4.896 1.00 0.00 H new ATOM 0 HA GLU A 540 7.234 -2.369 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.557 -4.215 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 540 7.441 -4.940 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 540 9.493 -4.925 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.376 -4.542 8.679 1.00 0.00 H new ATOM 508 N GLY A 541 8.009 -0.848 7.540 1.00 0.00 N ATOM 509 CA GLY A 541 8.331 0.034 8.647 1.00 0.00 C ATOM 510 C GLY A 541 9.154 1.246 8.252 1.00 0.00 C ATOM 511 O GLY A 541 9.358 2.146 9.067 1.00 0.00 O ATOM 0 H GLY A 541 7.410 -0.435 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 541 7.404 0.372 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 541 8.876 -0.532 9.402 1.00 0.00 H new ATOM 515 N ILE A 542 9.636 1.278 7.017 1.00 0.00 N ATOM 516 CA ILE A 542 10.445 2.402 6.559 1.00 0.00 C ATOM 517 C ILE A 542 9.639 3.358 5.692 1.00 0.00 C ATOM 518 O ILE A 542 9.891 4.563 5.687 1.00 0.00 O ATOM 519 CB ILE A 542 11.677 1.935 5.764 1.00 0.00 C ATOM 520 CG1 ILE A 542 12.285 0.683 6.395 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.710 3.050 5.688 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.731 -0.335 5.378 1.00 0.00 C ATOM 0 H ILE A 542 9.484 0.548 6.321 1.00 0.00 H new ATOM 0 HA ILE A 542 10.775 2.921 7.459 1.00 0.00 H new ATOM 0 HB ILE A 542 11.359 1.685 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 542 13.138 0.971 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 542 11.552 0.226 7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.576 2.706 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.274 3.917 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 542 13.021 3.327 6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 542 13.153 -1.200 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.876 -0.650 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.486 0.107 4.728 1.00 0.00 H new ATOM 534 N TYR A 543 8.673 2.823 4.952 1.00 0.00 N ATOM 535 CA TYR A 543 7.848 3.657 4.078 1.00 0.00 C ATOM 536 C TYR A 543 6.814 2.830 3.301 1.00 0.00 C ATOM 537 O TYR A 543 5.773 2.466 3.847 1.00 0.00 O ATOM 538 CB TYR A 543 8.732 4.467 3.114 1.00 0.00 C ATOM 539 CG TYR A 543 10.046 3.796 2.762 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.124 2.420 2.580 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.207 4.542 2.613 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.322 1.809 2.260 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.409 3.939 2.292 1.00 0.00 C ATOM 544 CZ TYR A 543 12.460 2.572 2.116 1.00 0.00 C ATOM 545 OH TYR A 543 13.655 1.968 1.796 1.00 0.00 O ATOM 0 H TYR A 543 8.442 1.830 4.938 1.00 0.00 H new ATOM 0 HA TYR A 543 7.296 4.349 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.174 4.652 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 543 8.942 5.439 3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.234 1.818 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.171 5.613 2.750 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.366 0.739 2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.303 4.535 2.180 1.00 0.00 H new ATOM 0 HH TYR A 543 14.358 2.648 1.731 1.00 0.00 H new ATOM 555 N ILE A 544 7.090 2.548 2.025 1.00 0.00 N ATOM 556 CA ILE A 544 6.163 1.784 1.194 1.00 0.00 C ATOM 557 C ILE A 544 6.027 0.350 1.684 1.00 0.00 C ATOM 558 O ILE A 544 4.922 -0.164 1.837 1.00 0.00 O ATOM 559 CB ILE A 544 6.595 1.762 -0.283 1.00 0.00 C ATOM 560 CG1 ILE A 544 7.172 3.118 -0.699 1.00 0.00 C ATOM 561 CG2 ILE A 544 5.411 1.394 -1.163 1.00 0.00 C ATOM 562 CD1 ILE A 544 8.666 3.092 -0.933 1.00 0.00 C ATOM 0 H ILE A 544 7.945 2.837 1.549 1.00 0.00 H new ATOM 0 HA ILE A 544 5.201 2.289 1.274 1.00 0.00 H new ATOM 0 HB ILE A 544 7.375 1.011 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 544 6.675 3.451 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 544 6.946 3.853 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 544 5.724 1.380 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 544 5.041 0.408 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 544 4.618 2.130 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 544 9.006 4.086 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 544 9.173 2.790 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 544 8.898 2.382 -1.727 1.00 0.00 H new ATOM 574 N GLU A 545 7.158 -0.292 1.935 1.00 0.00 N ATOM 575 CA GLU A 545 7.162 -1.669 2.416 1.00 0.00 C ATOM 576 C GLU A 545 6.812 -2.650 1.289 1.00 0.00 C ATOM 577 O GLU A 545 7.347 -2.546 0.184 1.00 0.00 O ATOM 578 CB GLU A 545 6.187 -1.816 3.590 1.00 0.00 C ATOM 579 CG GLU A 545 6.249 -0.663 4.583 1.00 0.00 C ATOM 580 CD GLU A 545 5.229 -0.801 5.696 1.00 0.00 C ATOM 581 OE1 GLU A 545 4.061 -0.411 5.483 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.596 -1.298 6.781 1.00 0.00 O ATOM 0 H GLU A 545 8.085 0.116 1.814 1.00 0.00 H new ATOM 0 HA GLU A 545 8.167 -1.911 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.172 -1.895 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.400 -2.748 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.249 -0.613 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.082 0.276 4.056 1.00 0.00 H new ATOM 589 N GLY A 546 5.914 -3.597 1.564 1.00 0.00 N ATOM 590 CA GLY A 546 5.519 -4.565 0.559 1.00 0.00 C ATOM 591 C GLY A 546 4.217 -4.193 -0.102 1.00 0.00 C ATOM 592 O GLY A 546 3.515 -5.047 -0.642 1.00 0.00 O ATOM 0 H GLY A 546 5.454 -3.708 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.300 -4.642 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.424 -5.548 1.020 1.00 0.00 H new ATOM 596 N LEU A 547 3.900 -2.908 -0.064 1.00 0.00 N ATOM 597 CA LEU A 547 2.684 -2.406 -0.669 1.00 0.00 C ATOM 598 C LEU A 547 2.987 -1.854 -2.055 1.00 0.00 C ATOM 599 O LEU A 547 3.832 -0.975 -2.225 1.00 0.00 O ATOM 600 CB LEU A 547 2.067 -1.316 0.207 1.00 0.00 C ATOM 601 CG LEU A 547 2.693 0.052 0.009 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.056 0.767 -1.176 1.00 0.00 C ATOM 603 CD2 LEU A 547 2.585 0.888 1.274 1.00 0.00 C ATOM 0 H LEU A 547 4.474 -2.193 0.383 1.00 0.00 H new ATOM 0 HA LEU A 547 1.970 -3.225 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.000 -1.252 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.167 -1.603 1.254 1.00 0.00 H new ATOM 0 HG LEU A 547 3.752 -0.086 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.518 1.746 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.205 0.177 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.988 0.891 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.041 1.864 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.535 1.019 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.102 0.382 2.090 1.00 0.00 H new ATOM 615 N MET A 548 2.291 -2.380 -3.033 1.00 0.00 N ATOM 616 CA MET A 548 2.463 -1.956 -4.418 1.00 0.00 C ATOM 617 C MET A 548 1.117 -1.797 -5.124 1.00 0.00 C ATOM 618 O MET A 548 1.064 -1.427 -6.296 1.00 0.00 O ATOM 619 CB MET A 548 3.333 -2.955 -5.175 1.00 0.00 C ATOM 620 CG MET A 548 4.672 -3.218 -4.505 1.00 0.00 C ATOM 621 SD MET A 548 4.933 -4.963 -4.138 1.00 0.00 S ATOM 622 CE MET A 548 3.387 -5.362 -3.327 1.00 0.00 C ATOM 0 H MET A 548 1.591 -3.110 -2.902 1.00 0.00 H new ATOM 0 HA MET A 548 2.958 -0.985 -4.408 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.792 -3.896 -5.272 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.507 -2.582 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.474 -2.863 -5.152 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.731 -2.643 -3.581 1.00 0.00 H new ATOM 0 HE1 MET A 548 3.485 -6.314 -2.805 1.00 0.00 H new ATOM 0 HE2 MET A 548 3.140 -4.579 -2.610 1.00 0.00 H new ATOM 0 HE3 MET A 548 2.594 -5.436 -4.071 1.00 0.00 H new ATOM 632 N HIS A 549 0.030 -2.066 -4.403 1.00 0.00 N ATOM 633 CA HIS A 549 -1.307 -1.935 -4.967 1.00 0.00 C ATOM 634 C HIS A 549 -1.823 -0.511 -4.793 1.00 0.00 C ATOM 635 O HIS A 549 -2.797 -0.116 -5.432 1.00 0.00 O ATOM 636 CB HIS A 549 -2.275 -2.928 -4.312 1.00 0.00 C ATOM 637 CG HIS A 549 -2.072 -3.094 -2.837 1.00 0.00 C ATOM 638 ND1 HIS A 549 -1.958 -2.030 -1.966 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.963 -4.212 -2.078 1.00 0.00 C ATOM 640 CE1 HIS A 549 -1.785 -2.486 -0.737 1.00 0.00 C ATOM 641 NE2 HIS A 549 -1.786 -3.806 -0.779 1.00 0.00 N ATOM 0 H HIS A 549 0.051 -2.375 -3.431 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.247 -2.161 -6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -3.297 -2.596 -4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.165 -3.899 -4.795 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -2.007 -5.232 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 549 -1.664 -1.882 0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -1.673 -4.424 0.025 1.00 0.00 H new ATOM 650 N ASN A 550 -1.159 0.254 -3.921 1.00 0.00 N ATOM 651 CA ASN A 550 -1.534 1.645 -3.651 1.00 0.00 C ATOM 652 C ASN A 550 -2.791 1.733 -2.782 1.00 0.00 C ATOM 653 O ASN A 550 -2.975 2.706 -2.052 1.00 0.00 O ATOM 654 CB ASN A 550 -1.738 2.422 -4.959 1.00 0.00 C ATOM 655 CG ASN A 550 -0.429 2.736 -5.664 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.126 3.896 -5.941 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.353 1.704 -5.961 1.00 0.00 N ATOM 0 H ASN A 550 -0.353 -0.070 -3.386 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.711 2.099 -3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.375 1.842 -5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.264 3.353 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.242 1.858 -6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.064 0.758 -5.714 1.00 0.00 H new ATOM 664 N GLN A 551 -3.649 0.714 -2.858 1.00 0.00 N ATOM 665 CA GLN A 551 -4.879 0.673 -2.077 1.00 0.00 C ATOM 666 C GLN A 551 -5.968 1.532 -2.700 1.00 0.00 C ATOM 667 O GLN A 551 -5.787 2.726 -2.939 1.00 0.00 O ATOM 668 CB GLN A 551 -4.625 1.094 -0.633 1.00 0.00 C ATOM 669 CG GLN A 551 -3.394 0.446 -0.029 1.00 0.00 C ATOM 670 CD GLN A 551 -3.322 0.614 1.476 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.147 1.723 1.981 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.455 -0.490 2.202 1.00 0.00 N ATOM 0 H GLN A 551 -3.509 -0.098 -3.459 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.228 -0.359 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.515 2.178 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.495 0.839 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.392 -0.617 -0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.502 0.879 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.599 -1.389 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.414 -0.439 3.220 1.00 0.00 H new ATOM 681 N ASP A 552 -7.097 0.893 -2.957 1.00 0.00 N ATOM 682 CA ASP A 552 -8.251 1.553 -3.557 1.00 0.00 C ATOM 683 C ASP A 552 -9.540 0.805 -3.215 1.00 0.00 C ATOM 684 O ASP A 552 -10.257 0.346 -4.105 1.00 0.00 O ATOM 685 CB ASP A 552 -8.081 1.636 -5.076 1.00 0.00 C ATOM 686 CG ASP A 552 -7.429 2.933 -5.515 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.146 3.950 -5.626 1.00 0.00 O ATOM 688 OD2 ASP A 552 -6.203 2.932 -5.748 1.00 0.00 O ATOM 0 H ASP A 552 -7.242 -0.097 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.318 2.562 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.477 0.795 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -9.056 1.543 -5.554 1.00 0.00 H new ATOM 693 N GLY A 553 -9.827 0.683 -1.920 1.00 0.00 N ATOM 694 CA GLY A 553 -11.026 -0.012 -1.490 1.00 0.00 C ATOM 695 C GLY A 553 -10.920 -1.515 -1.670 1.00 0.00 C ATOM 696 O GLY A 553 -11.759 -2.130 -2.325 1.00 0.00 O ATOM 0 H GLY A 553 -9.251 1.053 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.216 0.213 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.881 0.359 -2.056 1.00 0.00 H new ATOM 700 N LEU A 554 -9.879 -2.104 -1.089 1.00 0.00 N ATOM 701 CA LEU A 554 -9.657 -3.542 -1.190 1.00 0.00 C ATOM 702 C LEU A 554 -9.902 -4.237 0.146 1.00 0.00 C ATOM 703 O LEU A 554 -10.292 -5.404 0.186 1.00 0.00 O ATOM 704 CB LEU A 554 -8.230 -3.819 -1.661 1.00 0.00 C ATOM 705 CG LEU A 554 -7.789 -3.029 -2.896 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.438 -3.523 -3.391 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.833 -3.132 -3.998 1.00 0.00 C ATOM 0 H LEU A 554 -9.175 -1.607 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.366 -3.940 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.544 -3.597 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.135 -4.883 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.690 -1.980 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.141 -2.950 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.694 -3.395 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.510 -4.578 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.502 -2.564 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.966 -4.177 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.780 -2.728 -3.641 1.00 0.00 H new ATOM 719 N ILE A 555 -9.667 -3.516 1.237 1.00 0.00 N ATOM 720 CA ILE A 555 -9.860 -4.070 2.574 1.00 0.00 C ATOM 721 C ILE A 555 -11.068 -3.443 3.266 1.00 0.00 C ATOM 722 O ILE A 555 -11.601 -4.004 4.224 1.00 0.00 O ATOM 723 CB ILE A 555 -8.609 -3.888 3.471 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.670 -2.813 2.908 1.00 0.00 C ATOM 725 CG2 ILE A 555 -7.872 -5.210 3.629 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.872 -3.266 1.702 1.00 0.00 C ATOM 0 H ILE A 555 -9.343 -2.549 1.223 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.034 -5.137 2.437 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.946 -3.555 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.259 -1.938 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.980 -2.501 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.996 -5.065 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.534 -5.943 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.557 -5.570 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.232 -2.452 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.255 -4.122 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.554 -3.550 0.901 1.00 0.00 H new ATOM 738 N CYS A 556 -11.501 -2.281 2.781 1.00 0.00 N ATOM 739 CA CYS A 556 -12.652 -1.592 3.362 1.00 0.00 C ATOM 740 C CYS A 556 -13.954 -2.090 2.752 1.00 0.00 C ATOM 741 O CYS A 556 -14.971 -1.395 2.772 1.00 0.00 O ATOM 742 CB CYS A 556 -12.517 -0.077 3.167 1.00 0.00 C ATOM 743 SG CYS A 556 -13.230 0.956 4.504 1.00 0.00 S ATOM 0 H CYS A 556 -11.074 -1.798 1.990 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.675 -1.810 4.430 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.459 0.166 3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.996 0.195 2.226 1.00 0.00 H new ATOM 748 N GLY A 557 -13.913 -3.299 2.213 1.00 0.00 N ATOM 749 CA GLY A 557 -15.069 -3.892 1.605 1.00 0.00 C ATOM 750 C GLY A 557 -14.684 -5.138 0.856 1.00 0.00 C ATOM 751 O GLY A 557 -14.033 -6.024 1.407 1.00 0.00 O ATOM 0 H GLY A 557 -13.078 -3.884 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.807 -4.133 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.536 -3.180 0.924 1.00 0.00 H new ATOM 755 N LEU A 558 -15.062 -5.199 -0.403 1.00 0.00 N ATOM 756 CA LEU A 558 -14.741 -6.343 -1.240 1.00 0.00 C ATOM 757 C LEU A 558 -14.664 -5.925 -2.705 1.00 0.00 C ATOM 758 O LEU A 558 -13.793 -6.379 -3.446 1.00 0.00 O ATOM 759 CB LEU A 558 -15.783 -7.448 -1.053 1.00 0.00 C ATOM 760 CG LEU A 558 -16.536 -7.429 0.283 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.834 -8.212 0.171 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.666 -7.993 1.403 1.00 0.00 C ATOM 0 H LEU A 558 -15.595 -4.468 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.767 -6.731 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.511 -7.377 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.286 -8.413 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.775 -6.394 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.356 -8.189 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.464 -7.764 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.614 -9.245 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -16.220 -7.970 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.393 -9.022 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.763 -7.391 1.500 1.00 0.00 H new ATOM 774 N ARG A 559 -15.576 -5.047 -3.110 1.00 0.00 N ATOM 775 CA ARG A 559 -15.612 -4.553 -4.479 1.00 0.00 C ATOM 776 C ARG A 559 -15.853 -3.047 -4.496 1.00 0.00 C ATOM 777 O ARG A 559 -16.637 -2.541 -5.300 1.00 0.00 O ATOM 778 CB ARG A 559 -16.701 -5.268 -5.278 1.00 0.00 C ATOM 779 CG ARG A 559 -17.983 -5.498 -4.492 1.00 0.00 C ATOM 780 CD ARG A 559 -19.171 -5.698 -5.416 1.00 0.00 C ATOM 781 NE ARG A 559 -19.198 -7.040 -5.993 1.00 0.00 N ATOM 782 CZ ARG A 559 -20.146 -7.476 -6.819 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.149 -6.678 -7.167 1.00 0.00 N ATOM 784 NH2 ARG A 559 -20.093 -8.711 -7.297 1.00 0.00 N ATOM 0 H ARG A 559 -16.302 -4.663 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.647 -4.759 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.931 -4.682 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.317 -6.229 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.867 -6.372 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.168 -4.646 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -20.094 -5.523 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -19.135 -4.960 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 559 -18.444 -7.682 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.195 -5.727 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -21.874 -7.016 -7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -19.325 -9.328 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -20.820 -9.044 -7.930 1.00 0.00 H new ATOM 798 N GLN A 560 -15.174 -2.336 -3.597 1.00 0.00 N ATOM 799 CA GLN A 560 -15.308 -0.883 -3.495 1.00 0.00 C ATOM 800 C GLN A 560 -15.283 -0.225 -4.874 1.00 0.00 C ATOM 801 O GLN A 560 -16.344 0.265 -5.315 1.00 0.00 O ATOM 802 CB GLN A 560 -14.186 -0.300 -2.626 1.00 0.00 C ATOM 803 CG GLN A 560 -14.248 -0.707 -1.158 1.00 0.00 C ATOM 804 CD GLN A 560 -15.666 -0.791 -0.622 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.160 0.140 0.013 1.00 0.00 O ATOM 806 NE2 GLN A 560 -16.328 -1.914 -0.879 1.00 0.00 N ATOM 807 OXT GLN A 560 -14.203 -0.207 -5.499 1.00 0.00 O ATOM 0 H GLN A 560 -14.523 -2.744 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.271 -0.673 -3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.226 -0.613 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.221 0.788 -2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.762 -1.675 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.683 0.012 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.879 -2.661 -1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.285 -2.029 -0.546 1.00 0.00 H new