USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 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= -2.89 K(o=-11,f=-8.5) USER MOD Set 1.2: A 551 GLN : amide:sc= -8.53! C(o=-11!,f=-13!) USER MOD Set 2.1: A 549 HIS : no HD1:sc= -5.19! C(o=-6.7!,f=-6.1!) USER MOD Set 2.2: A 550 ASN : amide:sc= -1.48 K(o=-6.7,f=-10) USER MOD Set 3.1: A 510 LYS NZ :NH3+ -166:sc= -2.23 (180deg=-3.29) USER MOD Set 3.2: A 520 THR OG1 : rot 32:sc= 0.208 USER MOD Single : A 508 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.15) USER MOD Single : A 512 ASN : amide:sc= -0.0961 K(o=-0.096,f=-2.3!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HE2:sc= -0.443 X(o=-0.44,f=-0.72) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -61:sc= -0.134! 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 180:sc= 0 (180deg=0) USER MOD Single : A 560 GLN : amide:sc= -0.752 K(o=-0.75,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -19.448 5.034 -2.261 1.00 0.00 N ATOM 2 CA ALA A 507 -18.188 4.826 -3.023 1.00 0.00 C ATOM 3 C ALA A 507 -17.805 3.354 -3.057 1.00 0.00 C ATOM 4 O ALA A 507 -18.164 2.586 -2.164 1.00 0.00 O ATOM 5 CB ALA A 507 -17.062 5.644 -2.413 1.00 0.00 C ATOM 0 HA ALA A 507 -18.355 5.159 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -16.146 5.482 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -17.324 6.702 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -16.907 5.336 -1.379 1.00 0.00 H new ATOM 13 N GLN A 508 -17.068 2.967 -4.092 1.00 0.00 N ATOM 14 CA GLN A 508 -16.628 1.587 -4.239 1.00 0.00 C ATOM 15 C GLN A 508 -15.124 1.517 -4.479 1.00 0.00 C ATOM 16 O GLN A 508 -14.675 1.310 -5.606 1.00 0.00 O ATOM 17 CB GLN A 508 -17.377 0.906 -5.386 1.00 0.00 C ATOM 18 CG GLN A 508 -18.612 0.139 -4.940 1.00 0.00 C ATOM 19 CD GLN A 508 -18.419 -1.363 -4.997 1.00 0.00 C ATOM 20 OE1 GLN A 508 -18.000 -1.908 -6.018 1.00 0.00 O ATOM 21 NE2 GLN A 508 -18.725 -2.042 -3.896 1.00 0.00 N ATOM 0 H GLN A 508 -16.764 3.590 -4.840 1.00 0.00 H new ATOM 0 HA GLN A 508 -16.852 1.061 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -17.673 1.661 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -16.699 0.221 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -18.867 0.430 -3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -19.455 0.417 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -19.069 -1.549 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -18.616 -3.056 -3.875 1.00 0.00 H new ATOM 30 N PRO A 509 -14.324 1.684 -3.415 1.00 0.00 N ATOM 31 CA PRO A 509 -12.864 1.635 -3.509 1.00 0.00 C ATOM 32 C PRO A 509 -12.368 0.241 -3.872 1.00 0.00 C ATOM 33 O PRO A 509 -11.808 0.026 -4.946 1.00 0.00 O ATOM 34 CB PRO A 509 -12.390 2.016 -2.098 1.00 0.00 C ATOM 35 CG PRO A 509 -13.583 2.594 -1.417 1.00 0.00 C ATOM 36 CD PRO A 509 -14.775 1.931 -2.039 1.00 0.00 C ATOM 0 HA PRO A 509 -12.484 2.297 -4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.016 1.144 -1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -11.574 2.738 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.548 2.407 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.623 3.675 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -15.037 1.006 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.656 2.572 -2.010 1.00 0.00 H new ATOM 44 N LYS A 510 -12.594 -0.701 -2.963 1.00 0.00 N ATOM 45 CA LYS A 510 -12.191 -2.088 -3.156 1.00 0.00 C ATOM 46 C LYS A 510 -12.522 -2.913 -1.922 1.00 0.00 C ATOM 47 O LYS A 510 -12.884 -4.086 -2.013 1.00 0.00 O ATOM 48 CB LYS A 510 -10.696 -2.184 -3.476 1.00 0.00 C ATOM 49 CG LYS A 510 -9.783 -1.859 -2.302 1.00 0.00 C ATOM 50 CD LYS A 510 -9.519 -0.366 -2.198 1.00 0.00 C ATOM 51 CE LYS A 510 -8.854 -0.010 -0.879 1.00 0.00 C ATOM 52 NZ LYS A 510 -8.547 1.445 -0.787 1.00 0.00 N ATOM 0 H LYS A 510 -13.061 -0.525 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 510 -12.747 -2.488 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -10.475 -3.193 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -10.468 -1.505 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.237 -2.214 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.838 -2.389 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.883 -0.049 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.459 0.178 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -9.507 -0.296 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.933 -0.583 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.893 1.612 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.107 1.764 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -9.427 1.976 -0.626 1.00 0.00 H new ATOM 66 N CYS A 511 -12.399 -2.274 -0.770 1.00 0.00 N ATOM 67 CA CYS A 511 -12.686 -2.908 0.513 1.00 0.00 C ATOM 68 C CYS A 511 -12.097 -4.316 0.584 1.00 0.00 C ATOM 69 O CYS A 511 -12.824 -5.306 0.680 1.00 0.00 O ATOM 70 CB CYS A 511 -14.197 -2.944 0.745 1.00 0.00 C ATOM 71 SG CYS A 511 -14.786 -1.756 1.996 1.00 0.00 S ATOM 0 H CYS A 511 -12.098 -1.302 -0.694 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.217 -2.318 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.704 -2.743 -0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.483 -3.950 1.052 1.00 0.00 H new ATOM 76 N ASN A 512 -10.772 -4.392 0.540 1.00 0.00 N ATOM 77 CA ASN A 512 -10.073 -5.668 0.605 1.00 0.00 C ATOM 78 C ASN A 512 -8.949 -5.608 1.636 1.00 0.00 C ATOM 79 O ASN A 512 -7.791 -5.383 1.288 1.00 0.00 O ATOM 80 CB ASN A 512 -9.505 -6.035 -0.767 1.00 0.00 C ATOM 81 CG ASN A 512 -10.526 -6.724 -1.651 1.00 0.00 C ATOM 82 OD1 ASN A 512 -11.733 -6.552 -1.475 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.047 -7.509 -2.609 1.00 0.00 N ATOM 0 H ASN A 512 -10.159 -3.581 0.459 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.786 -6.435 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.150 -5.132 -1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.642 -6.688 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -10.687 -7.998 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.039 -7.623 -2.719 1.00 0.00 H new ATOM 90 N PRO A 513 -9.281 -5.803 2.925 1.00 0.00 N ATOM 91 CA PRO A 513 -8.301 -5.764 4.014 1.00 0.00 C ATOM 92 C PRO A 513 -7.487 -7.053 4.135 1.00 0.00 C ATOM 93 O PRO A 513 -6.911 -7.335 5.186 1.00 0.00 O ATOM 94 CB PRO A 513 -9.173 -5.566 5.252 1.00 0.00 C ATOM 95 CG PRO A 513 -10.463 -6.230 4.910 1.00 0.00 C ATOM 96 CD PRO A 513 -10.645 -6.070 3.421 1.00 0.00 C ATOM 0 HA PRO A 513 -7.555 -4.984 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.717 -6.015 6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.317 -4.508 5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.442 -7.284 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.290 -5.774 5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.065 -6.969 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.323 -5.249 3.187 1.00 0.00 H new ATOM 104 N ASN A 514 -7.439 -7.830 3.057 1.00 0.00 N ATOM 105 CA ASN A 514 -6.693 -9.081 3.048 1.00 0.00 C ATOM 106 C ASN A 514 -5.308 -8.881 2.441 1.00 0.00 C ATOM 107 O ASN A 514 -4.348 -9.555 2.817 1.00 0.00 O ATOM 108 CB ASN A 514 -7.466 -10.146 2.265 1.00 0.00 C ATOM 109 CG ASN A 514 -6.701 -11.450 2.138 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.439 -12.129 3.130 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.339 -11.806 0.910 1.00 0.00 N ATOM 0 H ASN A 514 -7.909 -7.614 2.178 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.569 -9.417 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.418 -10.335 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.694 -9.765 1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -5.823 -12.673 0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.578 -11.212 0.116 1.00 0.00 H new ATOM 118 N LEU A 515 -5.209 -7.947 1.499 1.00 0.00 N ATOM 119 CA LEU A 515 -3.943 -7.654 0.837 1.00 0.00 C ATOM 120 C LEU A 515 -3.104 -6.689 1.670 1.00 0.00 C ATOM 121 O LEU A 515 -2.980 -5.510 1.337 1.00 0.00 O ATOM 122 CB LEU A 515 -4.196 -7.063 -0.551 1.00 0.00 C ATOM 123 CG LEU A 515 -5.140 -7.875 -1.438 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.620 -7.038 -2.614 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.451 -9.140 -1.929 1.00 0.00 C ATOM 0 H LEU A 515 -5.993 -7.379 1.177 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.391 -8.588 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.606 -6.060 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.240 -6.958 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.008 -8.163 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.291 -7.633 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.150 -6.161 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.763 -6.720 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.137 -9.707 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.566 -8.872 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.156 -9.749 -1.074 1.00 0.00 H new ATOM 137 N HIS A 516 -2.534 -7.197 2.758 1.00 0.00 N ATOM 138 CA HIS A 516 -1.710 -6.383 3.645 1.00 0.00 C ATOM 139 C HIS A 516 -0.359 -6.050 3.010 1.00 0.00 C ATOM 140 O HIS A 516 0.352 -5.162 3.480 1.00 0.00 O ATOM 141 CB HIS A 516 -1.493 -7.106 4.976 1.00 0.00 C ATOM 142 CG HIS A 516 -1.556 -6.201 6.166 1.00 0.00 C ATOM 143 ND1 HIS A 516 -0.873 -5.004 6.239 1.00 0.00 N ATOM 144 CD2 HIS A 516 -2.224 -6.322 7.338 1.00 0.00 C ATOM 145 CE1 HIS A 516 -1.119 -4.430 7.404 1.00 0.00 C ATOM 146 NE2 HIS A 516 -1.936 -5.209 8.088 1.00 0.00 N ATOM 0 H HIS A 516 -2.628 -8.171 3.047 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.240 -5.447 3.822 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.246 -7.886 5.083 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.522 -7.601 4.957 1.00 0.00 H new ATOM 0 HD1 HIS A 516 -0.272 -4.622 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.864 -7.142 7.628 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -0.719 -3.484 7.739 1.00 0.00 H new ATOM 155 N TYR A 517 -0.005 -6.769 1.949 1.00 0.00 N ATOM 156 CA TYR A 517 1.266 -6.545 1.267 1.00 0.00 C ATOM 157 C TYR A 517 1.197 -5.332 0.343 1.00 0.00 C ATOM 158 O TYR A 517 1.873 -4.329 0.568 1.00 0.00 O ATOM 159 CB TYR A 517 1.661 -7.786 0.464 1.00 0.00 C ATOM 160 CG TYR A 517 1.864 -9.020 1.313 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.812 -9.039 2.329 1.00 0.00 C ATOM 162 CD2 TYR A 517 1.109 -10.166 1.100 1.00 0.00 C ATOM 163 CE1 TYR A 517 3.002 -10.165 3.107 1.00 0.00 C ATOM 164 CE2 TYR A 517 1.292 -11.296 1.874 1.00 0.00 C ATOM 165 CZ TYR A 517 2.239 -11.290 2.876 1.00 0.00 C ATOM 166 OH TYR A 517 2.425 -12.414 3.648 1.00 0.00 O ATOM 0 H TYR A 517 -0.578 -7.509 1.544 1.00 0.00 H new ATOM 0 HA TYR A 517 2.021 -6.350 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.888 -7.989 -0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.580 -7.577 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 517 3.410 -8.159 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 517 0.366 -10.174 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 517 3.744 -10.164 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 517 0.696 -12.179 1.695 1.00 0.00 H new ATOM 0 HH TYR A 517 1.807 -13.117 3.356 1.00 0.00 H new ATOM 176 N TRP A 518 0.383 -5.436 -0.702 1.00 0.00 N ATOM 177 CA TRP A 518 0.233 -4.352 -1.669 1.00 0.00 C ATOM 178 C TRP A 518 -0.509 -3.157 -1.074 1.00 0.00 C ATOM 179 O TRP A 518 -0.498 -2.070 -1.648 1.00 0.00 O ATOM 180 CB TRP A 518 -0.505 -4.854 -2.911 1.00 0.00 C ATOM 181 CG TRP A 518 0.177 -6.006 -3.584 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.111 -5.938 -4.580 1.00 0.00 C ATOM 183 CD2 TRP A 518 -0.020 -7.399 -3.312 1.00 0.00 C ATOM 184 NE1 TRP A 518 1.506 -7.203 -4.943 1.00 0.00 N ATOM 185 CE2 TRP A 518 0.826 -8.116 -4.179 1.00 0.00 C ATOM 186 CE3 TRP A 518 -0.828 -8.108 -2.420 1.00 0.00 C ATOM 187 CZ2 TRP A 518 0.884 -9.508 -4.179 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -0.769 -9.489 -2.420 1.00 0.00 C ATOM 189 CH2 TRP A 518 0.082 -10.177 -3.295 1.00 0.00 C ATOM 0 H TRP A 518 -0.184 -6.260 -0.902 1.00 0.00 H new ATOM 0 HA TRP A 518 1.233 -4.019 -1.946 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.514 -5.154 -2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.603 -4.034 -3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.484 -5.024 -5.018 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.193 -7.426 -5.663 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -1.487 -7.586 -1.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 1.539 -10.040 -4.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -1.389 -10.047 -1.734 1.00 0.00 H new ATOM 0 HH2 TRP A 518 0.105 -11.256 -3.271 1.00 0.00 H new ATOM 200 N THR A 519 -1.154 -3.363 0.072 1.00 0.00 N ATOM 201 CA THR A 519 -1.904 -2.298 0.733 1.00 0.00 C ATOM 202 C THR A 519 -2.972 -1.723 -0.206 1.00 0.00 C ATOM 203 O THR A 519 -4.147 -2.073 -0.101 1.00 0.00 O ATOM 204 CB THR A 519 -0.955 -1.196 1.241 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.679 -0.247 0.226 1.00 0.00 O ATOM 206 CG2 THR A 519 0.371 -1.736 1.730 1.00 0.00 C ATOM 0 H THR A 519 -1.172 -4.257 0.562 1.00 0.00 H new ATOM 0 HA THR A 519 -2.414 -2.723 1.598 1.00 0.00 H new ATOM 0 HB THR A 519 -1.480 -0.732 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.241 -0.693 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.995 -0.911 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.200 -2.430 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.875 -2.256 0.915 1.00 0.00 H new ATOM 214 N THR A 520 -2.563 -0.860 -1.134 1.00 0.00 N ATOM 215 CA THR A 520 -3.490 -0.265 -2.092 1.00 0.00 C ATOM 216 C THR A 520 -2.743 0.731 -2.965 1.00 0.00 C ATOM 217 O THR A 520 -2.618 0.544 -4.175 1.00 0.00 O ATOM 218 CB THR A 520 -4.656 0.420 -1.367 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.721 -0.492 -1.156 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.218 1.608 -2.116 1.00 0.00 C ATOM 0 H THR A 520 -1.595 -0.558 -1.242 1.00 0.00 H new ATOM 0 HA THR A 520 -3.906 -1.052 -2.721 1.00 0.00 H new ATOM 0 HB THR A 520 -4.238 0.771 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.359 -1.395 -1.035 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.039 2.043 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.436 2.355 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.585 1.284 -3.090 1.00 0.00 H new ATOM 228 N GLN A 521 -2.214 1.774 -2.335 1.00 0.00 N ATOM 229 CA GLN A 521 -1.440 2.771 -3.052 1.00 0.00 C ATOM 230 C GLN A 521 -0.095 2.182 -3.429 1.00 0.00 C ATOM 231 O GLN A 521 0.639 2.742 -4.245 1.00 0.00 O ATOM 232 CB GLN A 521 -1.263 4.036 -2.207 1.00 0.00 C ATOM 233 CG GLN A 521 -1.992 5.245 -2.769 1.00 0.00 C ATOM 234 CD GLN A 521 -3.496 5.058 -2.794 1.00 0.00 C ATOM 235 OE1 GLN A 521 -4.134 5.200 -3.838 1.00 0.00 O ATOM 236 NE2 GLN A 521 -4.071 4.739 -1.641 1.00 0.00 N ATOM 0 H GLN A 521 -2.308 1.948 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.974 3.055 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.622 3.842 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.200 4.266 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.748 6.123 -2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -1.637 5.441 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -3.503 4.632 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -5.081 4.601 -1.596 1.00 0.00 H new ATOM 245 N ASP A 522 0.214 1.031 -2.841 1.00 0.00 N ATOM 246 CA ASP A 522 1.453 0.348 -3.126 1.00 0.00 C ATOM 247 C ASP A 522 1.256 -0.690 -4.230 1.00 0.00 C ATOM 248 O ASP A 522 2.219 -1.243 -4.760 1.00 0.00 O ATOM 249 CB ASP A 522 2.022 -0.307 -1.866 1.00 0.00 C ATOM 250 CG ASP A 522 1.987 0.617 -0.665 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.654 1.808 -0.840 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.295 0.151 0.450 1.00 0.00 O ATOM 0 H ASP A 522 -0.384 0.557 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 522 2.172 1.089 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.454 -1.210 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 522 3.051 -0.615 -2.053 1.00 0.00 H new ATOM 257 N GLU A 523 -0.006 -0.953 -4.568 1.00 0.00 N ATOM 258 CA GLU A 523 -0.348 -1.922 -5.604 1.00 0.00 C ATOM 259 C GLU A 523 0.524 -1.743 -6.846 1.00 0.00 C ATOM 260 O GLU A 523 0.766 -2.698 -7.586 1.00 0.00 O ATOM 261 CB GLU A 523 -1.826 -1.780 -5.979 1.00 0.00 C ATOM 262 CG GLU A 523 -2.137 -0.527 -6.784 1.00 0.00 C ATOM 263 CD GLU A 523 -2.487 -0.834 -8.227 1.00 0.00 C ATOM 264 OE1 GLU A 523 -1.652 -1.447 -8.925 1.00 0.00 O ATOM 265 OE2 GLU A 523 -3.598 -0.461 -8.661 1.00 0.00 O ATOM 0 H GLU A 523 -0.813 -0.504 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.165 -2.920 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.131 -2.655 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.424 -1.773 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -2.967 0.004 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.276 0.141 -6.757 1.00 0.00 H new ATOM 272 N GLY A 524 0.989 -0.519 -7.071 1.00 0.00 N ATOM 273 CA GLY A 524 1.823 -0.250 -8.225 1.00 0.00 C ATOM 274 C GLY A 524 1.625 1.150 -8.769 1.00 0.00 C ATOM 275 O GLY A 524 1.564 1.348 -9.983 1.00 0.00 O ATOM 0 H GLY A 524 0.803 0.289 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.870 -0.386 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.600 -0.975 -9.007 1.00 0.00 H new ATOM 279 N ALA A 525 1.513 2.123 -7.871 1.00 0.00 N ATOM 280 CA ALA A 525 1.311 3.508 -8.275 1.00 0.00 C ATOM 281 C ALA A 525 2.608 4.307 -8.220 1.00 0.00 C ATOM 282 O ALA A 525 3.066 4.834 -9.234 1.00 0.00 O ATOM 283 CB ALA A 525 0.247 4.163 -7.408 1.00 0.00 C ATOM 0 H ALA A 525 1.559 1.978 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 525 0.971 3.503 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.108 5.197 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.693 3.622 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.563 4.140 -6.365 1.00 0.00 H new ATOM 289 N ALA A 526 3.200 4.390 -7.035 1.00 0.00 N ATOM 290 CA ALA A 526 4.448 5.123 -6.856 1.00 0.00 C ATOM 291 C ALA A 526 5.434 4.287 -6.069 1.00 0.00 C ATOM 292 O ALA A 526 6.177 4.792 -5.226 1.00 0.00 O ATOM 293 CB ALA A 526 4.195 6.454 -6.164 1.00 0.00 C ATOM 0 H ALA A 526 2.837 3.960 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 526 4.875 5.330 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.139 6.985 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.517 7.056 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.748 6.276 -5.186 1.00 0.00 H new ATOM 299 N ILE A 527 5.412 2.996 -6.347 1.00 0.00 N ATOM 300 CA ILE A 527 6.273 2.049 -5.671 1.00 0.00 C ATOM 301 C ILE A 527 7.549 1.748 -6.452 1.00 0.00 C ATOM 302 O ILE A 527 8.390 0.969 -6.006 1.00 0.00 O ATOM 303 CB ILE A 527 5.498 0.752 -5.395 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.853 0.205 -6.679 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.426 1.041 -4.363 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.840 -0.160 -7.765 1.00 0.00 C ATOM 0 H ILE A 527 4.798 2.578 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 527 6.583 2.505 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 527 6.190 -0.004 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.264 -0.677 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.160 0.950 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.866 0.129 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.892 1.398 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.748 1.804 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.301 -0.537 -8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.413 0.723 -8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.518 -0.930 -7.397 1.00 0.00 H new ATOM 318 N GLY A 528 7.688 2.359 -7.621 1.00 0.00 N ATOM 319 CA GLY A 528 8.859 2.129 -8.447 1.00 0.00 C ATOM 320 C GLY A 528 10.175 2.452 -7.757 1.00 0.00 C ATOM 321 O GLY A 528 11.237 2.098 -8.267 1.00 0.00 O ATOM 0 H GLY A 528 7.009 3.012 -8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.871 1.085 -8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.777 2.732 -9.352 1.00 0.00 H new ATOM 325 N LEU A 529 10.125 3.133 -6.613 1.00 0.00 N ATOM 326 CA LEU A 529 11.349 3.492 -5.905 1.00 0.00 C ATOM 327 C LEU A 529 11.656 2.529 -4.760 1.00 0.00 C ATOM 328 O LEU A 529 12.815 2.197 -4.512 1.00 0.00 O ATOM 329 CB LEU A 529 11.247 4.923 -5.369 1.00 0.00 C ATOM 330 CG LEU A 529 10.036 5.195 -4.470 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.472 5.380 -3.025 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.274 6.420 -4.958 1.00 0.00 C ATOM 0 H LEU A 529 9.263 3.443 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 529 12.169 3.425 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.154 5.150 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.214 5.610 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 529 9.372 4.332 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.598 5.572 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.973 4.476 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 529 11.158 6.224 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.417 6.598 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.932 7.289 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.927 6.250 -5.977 1.00 0.00 H new ATOM 344 N ALA A 530 10.619 2.108 -4.046 1.00 0.00 N ATOM 345 CA ALA A 530 10.790 1.212 -2.906 1.00 0.00 C ATOM 346 C ALA A 530 10.396 -0.231 -3.207 1.00 0.00 C ATOM 347 O ALA A 530 10.443 -1.082 -2.319 1.00 0.00 O ATOM 348 CB ALA A 530 9.977 1.715 -1.735 1.00 0.00 C ATOM 0 H ALA A 530 9.652 2.371 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 530 11.854 1.211 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.107 1.044 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.313 2.715 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.923 1.750 -2.012 1.00 0.00 H new ATOM 354 N TRP A 531 9.992 -0.512 -4.436 1.00 0.00 N ATOM 355 CA TRP A 531 9.575 -1.865 -4.798 1.00 0.00 C ATOM 356 C TRP A 531 10.756 -2.835 -4.883 1.00 0.00 C ATOM 357 O TRP A 531 10.714 -3.799 -5.646 1.00 0.00 O ATOM 358 CB TRP A 531 8.814 -1.845 -6.119 1.00 0.00 C ATOM 359 CG TRP A 531 8.175 -3.158 -6.458 1.00 0.00 C ATOM 360 CD1 TRP A 531 7.032 -3.674 -5.921 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.643 -4.121 -7.410 1.00 0.00 C ATOM 362 NE1 TRP A 531 6.759 -4.899 -6.480 1.00 0.00 N ATOM 363 CE2 TRP A 531 7.734 -5.195 -7.397 1.00 0.00 C ATOM 364 CE3 TRP A 531 9.743 -4.178 -8.272 1.00 0.00 C ATOM 365 CZ2 TRP A 531 7.891 -6.314 -8.212 1.00 0.00 C ATOM 366 CZ3 TRP A 531 9.897 -5.289 -9.081 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.975 -6.343 -9.046 1.00 0.00 C ATOM 0 H TRP A 531 9.943 0.168 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 531 8.919 -2.224 -4.005 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.044 -1.075 -6.074 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.498 -1.565 -6.920 1.00 0.00 H new ATOM 0 HD1 TRP A 531 6.430 -3.190 -5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 531 5.961 -5.491 -6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 531 10.459 -3.370 -8.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 7.183 -7.129 -8.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 10.742 -5.345 -9.751 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.123 -7.196 -9.691 1.00 0.00 H new ATOM 378 N ILE A 532 11.794 -2.591 -4.085 1.00 0.00 N ATOM 379 CA ILE A 532 12.965 -3.457 -4.068 1.00 0.00 C ATOM 380 C ILE A 532 13.757 -3.278 -2.772 1.00 0.00 C ATOM 381 O ILE A 532 14.856 -2.723 -2.778 1.00 0.00 O ATOM 382 CB ILE A 532 13.897 -3.187 -5.267 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.359 -1.727 -5.268 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.201 -3.530 -6.575 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.846 -1.566 -5.030 1.00 0.00 C ATOM 0 H ILE A 532 11.845 -1.800 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 532 12.598 -4.481 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 532 14.775 -3.826 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.100 -1.273 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.814 -1.181 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.875 -3.333 -7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 532 12.924 -4.584 -6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.304 -2.919 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.104 -0.507 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.107 -1.991 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.398 -2.084 -5.814 1.00 0.00 H new ATOM 397 N PRO A 533 13.212 -3.753 -1.637 1.00 0.00 N ATOM 398 CA PRO A 533 13.877 -3.646 -0.335 1.00 0.00 C ATOM 399 C PRO A 533 15.310 -4.166 -0.388 1.00 0.00 C ATOM 400 O PRO A 533 15.539 -5.376 -0.422 1.00 0.00 O ATOM 401 CB PRO A 533 13.017 -4.523 0.593 1.00 0.00 C ATOM 402 CG PRO A 533 12.095 -5.281 -0.306 1.00 0.00 C ATOM 403 CD PRO A 533 11.917 -4.435 -1.531 1.00 0.00 C ATOM 0 HA PRO A 533 13.954 -2.612 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.639 -5.201 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.458 -3.912 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.514 -6.254 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.138 -5.465 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.703 -5.038 -2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.094 -3.729 -1.420 1.00 0.00 H new ATOM 411 N TYR A 534 16.273 -3.248 -0.417 1.00 0.00 N ATOM 412 CA TYR A 534 17.680 -3.628 -0.490 1.00 0.00 C ATOM 413 C TYR A 534 18.341 -3.656 0.889 1.00 0.00 C ATOM 414 O TYR A 534 18.928 -4.665 1.280 1.00 0.00 O ATOM 415 CB TYR A 534 18.435 -2.662 -1.406 1.00 0.00 C ATOM 416 CG TYR A 534 18.890 -3.287 -2.706 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.972 -3.636 -3.688 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.236 -3.526 -2.951 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.384 -4.207 -4.878 1.00 0.00 C ATOM 420 CE2 TYR A 534 20.655 -4.096 -4.138 1.00 0.00 C ATOM 421 CZ TYR A 534 19.725 -4.434 -5.098 1.00 0.00 C ATOM 422 OH TYR A 534 20.138 -5.002 -6.281 1.00 0.00 O ATOM 0 H TYR A 534 16.106 -2.242 -0.391 1.00 0.00 H new ATOM 0 HA TYR A 534 17.725 -4.638 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.793 -1.809 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 534 19.305 -2.276 -0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.920 -3.459 -3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.967 -3.262 -2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.658 -4.474 -5.632 1.00 0.00 H new ATOM 0 HE2 TYR A 534 21.705 -4.276 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 534 21.114 -5.093 -6.277 1.00 0.00 H new ATOM 432 N PHE A 535 18.260 -2.545 1.617 1.00 0.00 N ATOM 433 CA PHE A 535 18.874 -2.459 2.940 1.00 0.00 C ATOM 434 C PHE A 535 17.841 -2.204 4.035 1.00 0.00 C ATOM 435 O PHE A 535 17.982 -2.694 5.156 1.00 0.00 O ATOM 436 CB PHE A 535 19.927 -1.350 2.958 1.00 0.00 C ATOM 437 CG PHE A 535 21.286 -1.802 2.507 1.00 0.00 C ATOM 438 CD1 PHE A 535 21.629 -1.774 1.165 1.00 0.00 C ATOM 439 CD2 PHE A 535 22.220 -2.255 3.425 1.00 0.00 C ATOM 440 CE1 PHE A 535 22.879 -2.188 0.746 1.00 0.00 C ATOM 441 CE2 PHE A 535 23.471 -2.670 3.013 1.00 0.00 C ATOM 442 CZ PHE A 535 23.802 -2.637 1.671 1.00 0.00 C ATOM 0 H PHE A 535 17.779 -1.697 1.316 1.00 0.00 H new ATOM 0 HA PHE A 535 19.345 -3.421 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 535 19.594 -0.534 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 535 20.004 -0.950 3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 535 20.911 -1.425 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 535 21.967 -2.284 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 535 23.134 -2.161 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 535 24.190 -3.020 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 535 24.780 -2.961 1.347 1.00 0.00 H new ATOM 452 N GLY A 536 16.815 -1.426 3.714 1.00 0.00 N ATOM 453 CA GLY A 536 15.790 -1.112 4.693 1.00 0.00 C ATOM 454 C GLY A 536 14.678 -2.141 4.733 1.00 0.00 C ATOM 455 O GLY A 536 14.749 -3.160 4.046 1.00 0.00 O ATOM 0 H GLY A 536 16.674 -1.007 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.247 -1.040 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 536 15.365 -0.134 4.466 1.00 0.00 H new ATOM 459 N PRO A 537 13.625 -1.896 5.533 1.00 0.00 N ATOM 460 CA PRO A 537 12.486 -2.811 5.652 1.00 0.00 C ATOM 461 C PRO A 537 11.841 -3.085 4.301 1.00 0.00 C ATOM 462 O PRO A 537 12.466 -2.894 3.259 1.00 0.00 O ATOM 463 CB PRO A 537 11.510 -2.068 6.579 1.00 0.00 C ATOM 464 CG PRO A 537 11.975 -0.653 6.590 1.00 0.00 C ATOM 465 CD PRO A 537 13.458 -0.707 6.381 1.00 0.00 C ATOM 0 HA PRO A 537 12.782 -3.787 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 537 10.486 -2.142 6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.521 -2.493 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 537 11.490 -0.076 5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 537 11.731 -0.169 7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 537 13.831 0.193 5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 537 13.996 -0.804 7.324 1.00 0.00 H new ATOM 473 N ALA A 538 10.589 -3.533 4.321 1.00 0.00 N ATOM 474 CA ALA A 538 9.867 -3.830 3.089 1.00 0.00 C ATOM 475 C ALA A 538 10.082 -2.736 2.051 1.00 0.00 C ATOM 476 O ALA A 538 10.423 -3.017 0.903 1.00 0.00 O ATOM 477 CB ALA A 538 8.382 -4.007 3.363 1.00 0.00 C ATOM 0 H ALA A 538 10.055 -3.698 5.174 1.00 0.00 H new ATOM 0 HA ALA A 538 10.262 -4.764 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.864 -4.228 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.237 -4.830 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.980 -3.090 3.793 1.00 0.00 H new ATOM 483 N ALA A 539 9.887 -1.483 2.463 1.00 0.00 N ATOM 484 CA ALA A 539 10.065 -0.339 1.565 1.00 0.00 C ATOM 485 C ALA A 539 8.954 -0.262 0.533 1.00 0.00 C ATOM 486 O ALA A 539 8.386 0.801 0.286 1.00 0.00 O ATOM 487 CB ALA A 539 11.398 -0.437 0.853 1.00 0.00 C ATOM 0 H ALA A 539 9.606 -1.233 3.411 1.00 0.00 H new ATOM 0 HA ALA A 539 10.034 0.564 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.519 0.418 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.203 -0.443 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.432 -1.357 0.270 1.00 0.00 H new ATOM 493 N GLU A 540 8.667 -1.408 -0.070 1.00 0.00 N ATOM 494 CA GLU A 540 7.644 -1.543 -1.099 1.00 0.00 C ATOM 495 C GLU A 540 6.423 -0.663 -0.823 1.00 0.00 C ATOM 496 O GLU A 540 5.747 -0.221 -1.752 1.00 0.00 O ATOM 497 CB GLU A 540 7.239 -3.010 -1.181 1.00 0.00 C ATOM 498 CG GLU A 540 7.622 -3.681 -2.489 1.00 0.00 C ATOM 499 CD GLU A 540 6.951 -5.028 -2.671 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.770 -5.052 -3.078 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.605 -6.059 -2.407 1.00 0.00 O ATOM 0 H GLU A 540 9.145 -2.283 0.145 1.00 0.00 H new ATOM 0 HA GLU A 540 8.057 -1.206 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.703 -3.552 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.160 -3.087 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.352 -3.029 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.704 -3.810 -2.524 1.00 0.00 H new ATOM 508 N GLY A 541 6.152 -0.402 0.450 1.00 0.00 N ATOM 509 CA GLY A 541 5.025 0.437 0.809 1.00 0.00 C ATOM 510 C GLY A 541 5.429 1.565 1.739 1.00 0.00 C ATOM 511 O GLY A 541 5.075 2.723 1.522 1.00 0.00 O ATOM 0 H GLY A 541 6.692 -0.756 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.581 0.854 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.259 -0.172 1.289 1.00 0.00 H new ATOM 515 N ILE A 542 6.164 1.211 2.785 1.00 0.00 N ATOM 516 CA ILE A 542 6.621 2.178 3.780 1.00 0.00 C ATOM 517 C ILE A 542 7.654 3.156 3.218 1.00 0.00 C ATOM 518 O ILE A 542 7.794 4.269 3.726 1.00 0.00 O ATOM 519 CB ILE A 542 7.222 1.473 5.013 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.273 0.442 4.591 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.124 0.811 5.831 1.00 0.00 C ATOM 522 CD1 ILE A 542 9.677 1.001 4.529 1.00 0.00 C ATOM 0 H ILE A 542 6.460 0.252 2.969 1.00 0.00 H new ATOM 0 HA ILE A 542 5.736 2.742 4.073 1.00 0.00 H new ATOM 0 HB ILE A 542 7.712 2.224 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.254 -0.392 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.006 0.043 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.563 0.317 6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.413 1.567 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.607 0.073 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.368 0.215 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 542 9.712 1.816 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 542 9.964 1.375 5.512 1.00 0.00 H new ATOM 534 N TYR A 543 8.376 2.752 2.173 1.00 0.00 N ATOM 535 CA TYR A 543 9.383 3.623 1.573 1.00 0.00 C ATOM 536 C TYR A 543 9.006 3.996 0.141 1.00 0.00 C ATOM 537 O TYR A 543 9.640 4.850 -0.476 1.00 0.00 O ATOM 538 CB TYR A 543 10.760 2.955 1.602 1.00 0.00 C ATOM 539 CG TYR A 543 11.908 3.938 1.633 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.207 4.650 2.788 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.693 4.155 0.507 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.255 5.549 2.820 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.744 5.052 0.532 1.00 0.00 C ATOM 544 CZ TYR A 543 14.020 5.747 1.691 1.00 0.00 C ATOM 545 OH TYR A 543 15.065 6.642 1.719 1.00 0.00 O ATOM 0 H TYR A 543 8.284 1.838 1.730 1.00 0.00 H new ATOM 0 HA TYR A 543 9.426 4.539 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.823 2.308 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.863 2.316 0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.610 4.498 3.675 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.478 3.614 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.474 6.095 3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.346 5.208 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 543 15.502 6.662 0.842 1.00 0.00 H new ATOM 555 N ALA A 544 7.957 3.361 -0.370 1.00 0.00 N ATOM 556 CA ALA A 544 7.469 3.627 -1.715 1.00 0.00 C ATOM 557 C ALA A 544 6.276 4.566 -1.644 1.00 0.00 C ATOM 558 O ALA A 544 6.059 5.391 -2.531 1.00 0.00 O ATOM 559 CB ALA A 544 7.075 2.324 -2.385 1.00 0.00 C ATOM 0 H ALA A 544 7.425 2.652 0.134 1.00 0.00 H new ATOM 0 HA ALA A 544 8.257 4.098 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.710 2.528 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.942 1.666 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.289 1.840 -1.805 1.00 0.00 H new ATOM 565 N GLU A 545 5.503 4.425 -0.571 1.00 0.00 N ATOM 566 CA GLU A 545 4.322 5.248 -0.361 1.00 0.00 C ATOM 567 C GLU A 545 4.445 6.075 0.917 1.00 0.00 C ATOM 568 O GLU A 545 3.937 7.193 0.996 1.00 0.00 O ATOM 569 CB GLU A 545 3.088 4.354 -0.269 1.00 0.00 C ATOM 570 CG GLU A 545 1.814 5.115 0.054 1.00 0.00 C ATOM 571 CD GLU A 545 1.339 5.964 -1.109 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.155 6.245 -2.011 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.152 6.348 -1.119 1.00 0.00 O ATOM 0 H GLU A 545 5.677 3.744 0.168 1.00 0.00 H new ATOM 0 HA GLU A 545 4.228 5.932 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.958 3.828 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.254 3.596 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.031 4.408 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.985 5.753 0.921 1.00 0.00 H new ATOM 580 N GLY A 546 5.126 5.512 1.910 1.00 0.00 N ATOM 581 CA GLY A 546 5.319 6.193 3.179 1.00 0.00 C ATOM 582 C GLY A 546 4.086 6.936 3.669 1.00 0.00 C ATOM 583 O GLY A 546 4.198 8.054 4.169 1.00 0.00 O ATOM 0 H GLY A 546 5.552 4.587 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.615 5.462 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.143 6.900 3.080 1.00 0.00 H new ATOM 587 N LEU A 547 2.909 6.324 3.539 1.00 0.00 N ATOM 588 CA LEU A 547 1.681 6.970 3.994 1.00 0.00 C ATOM 589 C LEU A 547 0.469 6.034 3.907 1.00 0.00 C ATOM 590 O LEU A 547 -0.161 5.733 4.921 1.00 0.00 O ATOM 591 CB LEU A 547 1.461 8.274 3.203 1.00 0.00 C ATOM 592 CG LEU A 547 0.115 8.434 2.481 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.385 9.866 2.606 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.251 8.043 1.016 1.00 0.00 C ATOM 0 H LEU A 547 2.781 5.398 3.130 1.00 0.00 H new ATOM 0 HA LEU A 547 1.791 7.217 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.578 9.111 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.255 8.358 2.461 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.613 7.772 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.340 9.964 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.515 10.115 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.341 10.545 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.711 8.161 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.990 8.684 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.571 7.003 0.945 1.00 0.00 H new ATOM 606 N MET A 548 0.145 5.582 2.702 1.00 0.00 N ATOM 607 CA MET A 548 -0.992 4.688 2.500 1.00 0.00 C ATOM 608 C MET A 548 -0.558 3.228 2.486 1.00 0.00 C ATOM 609 O MET A 548 -1.334 2.346 2.125 1.00 0.00 O ATOM 610 CB MET A 548 -1.721 5.023 1.198 1.00 0.00 C ATOM 611 CG MET A 548 -2.852 6.024 1.374 1.00 0.00 C ATOM 612 SD MET A 548 -3.025 7.138 -0.035 1.00 0.00 S ATOM 613 CE MET A 548 -4.363 8.187 0.527 1.00 0.00 C ATOM 0 H MET A 548 0.652 5.819 1.849 1.00 0.00 H new ATOM 0 HA MET A 548 -1.673 4.836 3.338 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.003 5.421 0.481 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.123 4.105 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.788 5.485 1.523 1.00 0.00 H new ATOM 0 HG3 MET A 548 -2.675 6.611 2.276 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.588 8.931 -0.237 1.00 0.00 H new ATOM 0 HE2 MET A 548 -5.248 7.579 0.714 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.068 8.691 1.448 1.00 0.00 H new ATOM 623 N HIS A 549 0.678 2.970 2.886 1.00 0.00 N ATOM 624 CA HIS A 549 1.188 1.610 2.923 1.00 0.00 C ATOM 625 C HIS A 549 0.436 0.777 3.959 1.00 0.00 C ATOM 626 O HIS A 549 0.590 -0.442 4.021 1.00 0.00 O ATOM 627 CB HIS A 549 2.686 1.609 3.231 1.00 0.00 C ATOM 628 CG HIS A 549 3.014 2.062 4.621 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.526 3.311 4.905 1.00 0.00 N ATOM 630 CD2 HIS A 549 2.899 1.424 5.810 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.713 3.421 6.209 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.340 2.291 6.780 1.00 0.00 N ATOM 0 H HIS A 549 1.343 3.682 3.188 1.00 0.00 H new ATOM 0 HA HIS A 549 1.032 1.162 1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.078 0.602 3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.195 2.257 2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 549 2.530 0.421 5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.104 4.288 6.720 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.374 2.093 7.780 1.00 0.00 H new ATOM 641 N ASN A 550 -0.361 1.442 4.790 1.00 0.00 N ATOM 642 CA ASN A 550 -1.111 0.756 5.829 1.00 0.00 C ATOM 643 C ASN A 550 -2.535 0.438 5.391 1.00 0.00 C ATOM 644 O ASN A 550 -3.049 -0.643 5.677 1.00 0.00 O ATOM 645 CB ASN A 550 -1.135 1.609 7.095 1.00 0.00 C ATOM 646 CG ASN A 550 0.056 1.343 7.995 1.00 0.00 C ATOM 647 OD1 ASN A 550 0.991 0.637 7.615 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.028 1.908 9.197 1.00 0.00 N ATOM 0 H ASN A 550 -0.502 2.452 4.762 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.610 -0.191 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.150 2.663 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.054 1.411 7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.801 1.764 9.846 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.767 2.486 9.471 1.00 0.00 H new ATOM 655 N GLN A 551 -3.165 1.381 4.709 1.00 0.00 N ATOM 656 CA GLN A 551 -4.532 1.199 4.236 1.00 0.00 C ATOM 657 C GLN A 551 -4.605 0.038 3.250 1.00 0.00 C ATOM 658 O GLN A 551 -4.746 0.235 2.043 1.00 0.00 O ATOM 659 CB GLN A 551 -5.047 2.479 3.580 1.00 0.00 C ATOM 660 CG GLN A 551 -4.144 2.997 2.477 1.00 0.00 C ATOM 661 CD GLN A 551 -4.904 3.329 1.208 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.507 2.933 0.115 1.00 0.00 O ATOM 663 NE2 GLN A 551 -6.001 4.062 1.350 1.00 0.00 N ATOM 0 H GLN A 551 -2.752 2.283 4.469 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.163 0.969 5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.040 2.294 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.156 3.250 4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.623 3.888 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.383 2.249 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -6.293 4.369 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -6.552 4.319 0.531 1.00 0.00 H new ATOM 672 N ASP A 552 -4.498 -1.170 3.783 1.00 0.00 N ATOM 673 CA ASP A 552 -4.539 -2.383 2.976 1.00 0.00 C ATOM 674 C ASP A 552 -5.963 -2.910 2.826 1.00 0.00 C ATOM 675 O ASP A 552 -6.167 -4.091 2.560 1.00 0.00 O ATOM 676 CB ASP A 552 -3.651 -3.461 3.600 1.00 0.00 C ATOM 677 CG ASP A 552 -3.960 -3.685 5.067 1.00 0.00 C ATOM 678 OD1 ASP A 552 -4.946 -4.391 5.367 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.215 -3.154 5.919 1.00 0.00 O ATOM 0 H ASP A 552 -4.381 -1.338 4.782 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.166 -2.132 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.783 -4.397 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.605 -3.174 3.491 1.00 0.00 H new ATOM 684 N GLY A 553 -6.942 -2.031 3.010 1.00 0.00 N ATOM 685 CA GLY A 553 -8.333 -2.432 2.905 1.00 0.00 C ATOM 686 C GLY A 553 -9.106 -2.102 4.163 1.00 0.00 C ATOM 687 O GLY A 553 -10.301 -1.813 4.113 1.00 0.00 O ATOM 0 H GLY A 553 -6.797 -1.046 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.793 -1.931 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.390 -3.504 2.713 1.00 0.00 H new ATOM 691 N LEU A 554 -8.409 -2.125 5.294 1.00 0.00 N ATOM 692 CA LEU A 554 -9.014 -1.805 6.579 1.00 0.00 C ATOM 693 C LEU A 554 -9.655 -0.429 6.527 1.00 0.00 C ATOM 694 O LEU A 554 -10.833 -0.255 6.838 1.00 0.00 O ATOM 695 CB LEU A 554 -7.947 -1.815 7.670 1.00 0.00 C ATOM 696 CG LEU A 554 -6.976 -3.000 7.619 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.554 -2.518 7.373 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.049 -3.807 8.907 1.00 0.00 C ATOM 0 H LEU A 554 -7.419 -2.364 5.345 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.776 -2.552 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.372 -0.891 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.442 -1.813 8.641 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.268 -3.645 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.880 -3.374 7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.510 -1.985 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.252 -1.849 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.353 -4.644 8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -6.785 -3.170 9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.062 -4.186 9.042 1.00 0.00 H new ATOM 710 N ILE A 555 -8.853 0.543 6.122 1.00 0.00 N ATOM 711 CA ILE A 555 -9.289 1.918 6.009 1.00 0.00 C ATOM 712 C ILE A 555 -10.079 2.130 4.717 1.00 0.00 C ATOM 713 O ILE A 555 -9.712 2.944 3.869 1.00 0.00 O ATOM 714 CB ILE A 555 -8.064 2.850 6.039 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.290 2.694 7.358 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.465 4.301 5.822 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.161 2.372 8.557 1.00 0.00 C ATOM 0 H ILE A 555 -7.878 0.395 5.862 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.942 2.150 6.850 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.408 2.559 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.548 1.904 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.744 3.616 7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.577 4.932 5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.953 4.403 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.153 4.610 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.537 2.279 9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.886 3.172 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.687 1.433 8.383 1.00 0.00 H new ATOM 729 N CYS A 556 -11.164 1.380 4.581 1.00 0.00 N ATOM 730 CA CYS A 556 -12.024 1.460 3.402 1.00 0.00 C ATOM 731 C CYS A 556 -12.867 2.738 3.409 1.00 0.00 C ATOM 732 O CYS A 556 -13.555 3.040 2.435 1.00 0.00 O ATOM 733 CB CYS A 556 -12.939 0.235 3.344 1.00 0.00 C ATOM 734 SG CYS A 556 -13.635 -0.108 1.695 1.00 0.00 S ATOM 0 H CYS A 556 -11.474 0.703 5.278 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.385 1.483 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.378 -0.638 3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.759 0.375 4.049 1.00 0.00 H new ATOM 739 N GLY A 557 -12.816 3.478 4.514 1.00 0.00 N ATOM 740 CA GLY A 557 -13.588 4.704 4.625 1.00 0.00 C ATOM 741 C GLY A 557 -13.118 5.803 3.686 1.00 0.00 C ATOM 742 O GLY A 557 -13.765 6.844 3.579 1.00 0.00 O ATOM 0 H GLY A 557 -12.254 3.250 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.636 4.484 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -13.534 5.066 5.652 1.00 0.00 H new ATOM 746 N LEU A 558 -11.992 5.586 3.007 1.00 0.00 N ATOM 747 CA LEU A 558 -11.458 6.585 2.085 1.00 0.00 C ATOM 748 C LEU A 558 -12.508 7.011 1.062 1.00 0.00 C ATOM 749 O LEU A 558 -12.865 8.187 0.981 1.00 0.00 O ATOM 750 CB LEU A 558 -10.211 6.052 1.371 1.00 0.00 C ATOM 751 CG LEU A 558 -10.309 4.610 0.862 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.379 4.583 -0.658 1.00 0.00 C ATOM 753 CD2 LEU A 558 -9.128 3.786 1.353 1.00 0.00 C ATOM 0 H LEU A 558 -11.436 4.734 3.078 1.00 0.00 H new ATOM 0 HA LEU A 558 -11.179 7.460 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.992 6.703 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -9.365 6.121 2.054 1.00 0.00 H new ATOM 0 HG LEU A 558 -11.224 4.170 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.448 3.551 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.257 5.136 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.482 5.043 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -9.217 2.765 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -8.200 4.226 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -9.120 3.775 2.443 1.00 0.00 H new ATOM 765 N ARG A 559 -13.002 6.050 0.292 1.00 0.00 N ATOM 766 CA ARG A 559 -14.015 6.323 -0.724 1.00 0.00 C ATOM 767 C ARG A 559 -13.537 7.385 -1.709 1.00 0.00 C ATOM 768 O ARG A 559 -12.563 8.093 -1.452 1.00 0.00 O ATOM 769 CB ARG A 559 -15.318 6.775 -0.062 1.00 0.00 C ATOM 770 CG ARG A 559 -16.118 5.636 0.554 1.00 0.00 C ATOM 771 CD ARG A 559 -15.524 5.184 1.878 1.00 0.00 C ATOM 772 NE ARG A 559 -16.131 3.944 2.356 1.00 0.00 N ATOM 773 CZ ARG A 559 -17.316 3.884 2.959 1.00 0.00 C ATOM 774 NH1 ARG A 559 -18.026 4.987 3.156 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.792 2.715 3.366 1.00 0.00 N ATOM 0 H ARG A 559 -12.718 5.072 0.351 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.193 5.401 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -15.087 7.506 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.936 7.281 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.148 5.957 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.146 4.795 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.450 5.041 1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -15.663 5.967 2.624 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.617 3.074 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -17.665 5.889 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -18.933 4.934 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.250 1.864 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -18.700 2.667 3.828 1.00 0.00 H new ATOM 789 N GLN A 560 -14.228 7.489 -2.839 1.00 0.00 N ATOM 790 CA GLN A 560 -13.877 8.463 -3.866 1.00 0.00 C ATOM 791 C GLN A 560 -12.493 8.176 -4.440 1.00 0.00 C ATOM 792 O GLN A 560 -11.771 7.343 -3.852 1.00 0.00 O ATOM 793 CB GLN A 560 -13.920 9.880 -3.291 1.00 0.00 C ATOM 794 CG GLN A 560 -15.224 10.209 -2.581 1.00 0.00 C ATOM 795 CD GLN A 560 -15.029 10.503 -1.107 1.00 0.00 C ATOM 796 OE1 GLN A 560 -14.197 11.329 -0.731 1.00 0.00 O ATOM 797 NE2 GLN A 560 -15.798 9.825 -0.261 1.00 0.00 N ATOM 798 OXT GLN A 560 -12.145 8.784 -5.473 1.00 0.00 O ATOM 0 H GLN A 560 -15.036 6.910 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 560 -14.607 8.383 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.094 10.005 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.765 10.596 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -15.687 11.071 -3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -15.915 9.373 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.475 9.150 -0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -15.711 9.980 0.743 1.00 0.00 H new TER 807 GLN A 560