USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 549 HIS : no HD1:sc= -2.09! K(o=-8!,f=-7.4) USER MOD Set 1.2: A 551 GLN : amide:sc= -5.92! C(o=-8!,f=-11!) USER MOD Set 2.1: A 508 GLN : amide:sc= 0.721 K(o=-1.6,f=-6.1) USER MOD Set 2.2: A 512 ASN : amide:sc= -2.3! C(o=-1.6!,f=-6.1!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 516 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.54) USER MOD Single : A 517 TYR OH : rot -171:sc= -1.57! USER MOD Single : A 519 THR OG1 : rot 29:sc= 0.987 USER MOD Single : A 520 THR OG1 : rot 41:sc= 0.366 USER MOD Single : A 521 GLN : amide:sc= -1.79 K(o=-1.8,f=-4.5!) 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 550 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.3!) USER MOD Single : A 560 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -17.443 5.280 -2.754 1.00 0.00 N ATOM 2 CA ALA A 507 -17.784 4.105 -1.911 1.00 0.00 C ATOM 3 C ALA A 507 -16.876 2.922 -2.230 1.00 0.00 C ATOM 4 O ALA A 507 -16.827 2.452 -3.366 1.00 0.00 O ATOM 5 CB ALA A 507 -19.242 3.719 -2.112 1.00 0.00 C ATOM 0 HA ALA A 507 -17.631 4.379 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -19.479 2.857 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -19.882 4.556 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -19.411 3.467 -3.159 1.00 0.00 H new ATOM 13 N GLN A 508 -16.159 2.443 -1.218 1.00 0.00 N ATOM 14 CA GLN A 508 -15.254 1.314 -1.391 1.00 0.00 C ATOM 15 C GLN A 508 -16.012 -0.009 -1.304 1.00 0.00 C ATOM 16 O GLN A 508 -16.969 -0.134 -0.539 1.00 0.00 O ATOM 17 CB GLN A 508 -14.149 1.351 -0.332 1.00 0.00 C ATOM 18 CG GLN A 508 -13.488 2.713 -0.189 1.00 0.00 C ATOM 19 CD GLN A 508 -12.954 2.958 1.208 1.00 0.00 C ATOM 20 OE1 GLN A 508 -12.084 2.233 1.688 1.00 0.00 O ATOM 21 NE2 GLN A 508 -13.475 3.985 1.869 1.00 0.00 N ATOM 0 H GLN A 508 -16.188 2.819 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 508 -14.803 1.391 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -14.569 1.058 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -13.389 0.612 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -12.671 2.793 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -14.209 3.491 -0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -14.195 4.560 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -13.155 4.199 2.814 1.00 0.00 H new ATOM 30 N PRO A 509 -15.598 -1.020 -2.090 1.00 0.00 N ATOM 31 CA PRO A 509 -16.229 -2.325 -2.105 1.00 0.00 C ATOM 32 C PRO A 509 -15.518 -3.320 -1.198 1.00 0.00 C ATOM 33 O PRO A 509 -15.599 -4.531 -1.402 1.00 0.00 O ATOM 34 CB PRO A 509 -16.081 -2.731 -3.568 1.00 0.00 C ATOM 35 CG PRO A 509 -14.819 -2.066 -4.036 1.00 0.00 C ATOM 36 CD PRO A 509 -14.476 -0.982 -3.034 1.00 0.00 C ATOM 0 HA PRO A 509 -17.257 -2.305 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -16.017 -3.814 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -16.939 -2.405 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -14.008 -2.791 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -14.956 -1.640 -5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -13.527 -1.181 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.387 -0.007 -3.513 1.00 0.00 H new ATOM 44 N LYS A 510 -14.820 -2.798 -0.193 1.00 0.00 N ATOM 45 CA LYS A 510 -14.095 -3.633 0.751 1.00 0.00 C ATOM 46 C LYS A 510 -12.998 -4.427 0.051 1.00 0.00 C ATOM 47 O LYS A 510 -13.004 -5.659 0.060 1.00 0.00 O ATOM 48 CB LYS A 510 -15.061 -4.578 1.457 1.00 0.00 C ATOM 49 CG LYS A 510 -15.993 -3.879 2.434 1.00 0.00 C ATOM 50 CD LYS A 510 -17.416 -4.403 2.322 1.00 0.00 C ATOM 51 CE LYS A 510 -18.347 -3.700 3.295 1.00 0.00 C ATOM 52 NZ LYS A 510 -19.696 -3.472 2.708 1.00 0.00 N ATOM 0 H LYS A 510 -14.743 -1.797 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.623 -2.985 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -15.658 -5.099 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -14.489 -5.335 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -15.630 -4.024 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -15.984 -2.806 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -17.778 -4.261 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -17.426 -5.475 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -18.442 -4.297 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -17.912 -2.744 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -20.300 -2.990 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -19.609 -2.881 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -20.122 -4.386 2.453 1.00 0.00 H new ATOM 66 N CYS A 511 -12.052 -3.714 -0.552 1.00 0.00 N ATOM 67 CA CYS A 511 -10.946 -4.353 -1.253 1.00 0.00 C ATOM 68 C CYS A 511 -9.621 -3.698 -0.880 1.00 0.00 C ATOM 69 O CYS A 511 -8.768 -3.466 -1.735 1.00 0.00 O ATOM 70 CB CYS A 511 -11.159 -4.282 -2.765 1.00 0.00 C ATOM 71 SG CYS A 511 -11.456 -2.600 -3.397 1.00 0.00 S ATOM 0 H CYS A 511 -12.030 -2.694 -0.569 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.913 -5.400 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -10.283 -4.697 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.007 -4.913 -3.032 1.00 0.00 H new ATOM 76 N ASN A 512 -9.458 -3.401 0.405 1.00 0.00 N ATOM 77 CA ASN A 512 -8.238 -2.772 0.902 1.00 0.00 C ATOM 78 C ASN A 512 -7.466 -3.732 1.807 1.00 0.00 C ATOM 79 O ASN A 512 -8.067 -4.458 2.600 1.00 0.00 O ATOM 80 CB ASN A 512 -8.576 -1.497 1.673 1.00 0.00 C ATOM 81 CG ASN A 512 -9.546 -0.604 0.922 1.00 0.00 C ATOM 82 OD1 ASN A 512 -9.735 -0.750 -0.286 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.166 0.330 1.636 1.00 0.00 N ATOM 0 H ASN A 512 -10.158 -3.586 1.124 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.613 -2.518 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.006 -1.763 2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -7.659 -0.944 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -10.828 0.961 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.979 0.416 2.635 1.00 0.00 H new ATOM 90 N PRO A 513 -6.124 -3.760 1.702 1.00 0.00 N ATOM 91 CA PRO A 513 -5.299 -4.646 2.515 1.00 0.00 C ATOM 92 C PRO A 513 -4.971 -4.070 3.897 1.00 0.00 C ATOM 93 O PRO A 513 -5.691 -4.322 4.864 1.00 0.00 O ATOM 94 CB PRO A 513 -4.041 -4.813 1.666 1.00 0.00 C ATOM 95 CG PRO A 513 -3.919 -3.541 0.892 1.00 0.00 C ATOM 96 CD PRO A 513 -5.306 -2.945 0.780 1.00 0.00 C ATOM 0 HA PRO A 513 -5.806 -5.584 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -3.164 -4.979 2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -4.126 -5.672 1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -3.243 -2.849 1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -3.502 -3.732 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -5.312 -1.893 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -5.682 -3.000 -0.241 1.00 0.00 H new ATOM 104 N ASN A 514 -3.876 -3.315 3.997 1.00 0.00 N ATOM 105 CA ASN A 514 -3.458 -2.734 5.269 1.00 0.00 C ATOM 106 C ASN A 514 -3.106 -1.260 5.128 1.00 0.00 C ATOM 107 O ASN A 514 -3.836 -0.388 5.598 1.00 0.00 O ATOM 108 CB ASN A 514 -2.240 -3.478 5.798 1.00 0.00 C ATOM 109 CG ASN A 514 -2.607 -4.584 6.767 1.00 0.00 C ATOM 110 OD1 ASN A 514 -2.911 -4.330 7.933 1.00 0.00 O ATOM 111 ND2 ASN A 514 -2.581 -5.823 6.288 1.00 0.00 N ATOM 0 H ASN A 514 -3.264 -3.093 3.212 1.00 0.00 H new ATOM 0 HA ASN A 514 -4.295 -2.826 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -1.687 -3.903 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -1.575 -2.771 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -2.819 -6.609 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -2.323 -5.988 5.315 1.00 0.00 H new ATOM 118 N LEU A 515 -1.964 -1.006 4.489 1.00 0.00 N ATOM 119 CA LEU A 515 -1.459 0.346 4.273 1.00 0.00 C ATOM 120 C LEU A 515 -1.743 1.243 5.476 1.00 0.00 C ATOM 121 O LEU A 515 -2.273 2.344 5.338 1.00 0.00 O ATOM 122 CB LEU A 515 -2.078 0.919 3.004 1.00 0.00 C ATOM 123 CG LEU A 515 -3.568 1.245 3.103 1.00 0.00 C ATOM 124 CD1 LEU A 515 -3.791 2.749 3.202 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.327 0.673 1.916 1.00 0.00 C ATOM 0 H LEU A 515 -1.363 -1.736 4.106 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.376 0.303 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -1.540 1.827 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -1.930 0.207 2.192 1.00 0.00 H new ATOM 0 HG LEU A 515 -3.952 0.782 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.859 2.955 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.289 3.134 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.385 3.236 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.385 0.918 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.935 1.101 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.206 -0.410 1.894 1.00 0.00 H new ATOM 137 N HIS A 516 -1.402 0.746 6.660 1.00 0.00 N ATOM 138 CA HIS A 516 -1.640 1.483 7.895 1.00 0.00 C ATOM 139 C HIS A 516 -0.344 1.875 8.609 1.00 0.00 C ATOM 140 O HIS A 516 -0.387 2.592 9.608 1.00 0.00 O ATOM 141 CB HIS A 516 -2.513 0.648 8.837 1.00 0.00 C ATOM 142 CG HIS A 516 -3.865 1.241 9.086 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.508 2.059 8.181 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.698 1.129 10.147 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.677 2.425 8.675 1.00 0.00 C ATOM 146 NE2 HIS A 516 -5.817 1.873 9.867 1.00 0.00 N ATOM 0 H HIS A 516 -0.960 -0.164 6.790 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.151 2.406 7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.635 -0.350 8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -1.996 0.531 9.789 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.516 0.560 11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -6.396 3.066 8.187 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -6.625 1.982 10.480 1.00 0.00 H new ATOM 155 N TYR A 517 0.807 1.406 8.123 1.00 0.00 N ATOM 156 CA TYR A 517 2.069 1.736 8.778 1.00 0.00 C ATOM 157 C TYR A 517 2.364 3.233 8.685 1.00 0.00 C ATOM 158 O TYR A 517 3.086 3.782 9.517 1.00 0.00 O ATOM 159 CB TYR A 517 3.231 0.895 8.222 1.00 0.00 C ATOM 160 CG TYR A 517 3.819 1.388 6.919 1.00 0.00 C ATOM 161 CD1 TYR A 517 4.470 2.613 6.843 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.730 0.623 5.763 1.00 0.00 C ATOM 163 CE1 TYR A 517 5.011 3.060 5.657 1.00 0.00 C ATOM 164 CE2 TYR A 517 4.270 1.062 4.574 1.00 0.00 C ATOM 165 CZ TYR A 517 4.908 2.283 4.524 1.00 0.00 C ATOM 166 OH TYR A 517 5.448 2.726 3.338 1.00 0.00 O ATOM 0 H TYR A 517 0.890 0.811 7.299 1.00 0.00 H new ATOM 0 HA TYR A 517 1.967 1.486 9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 517 4.024 0.861 8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.882 -0.128 8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.554 3.225 7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.229 -0.333 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.513 4.015 5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 517 4.194 0.453 3.686 1.00 0.00 H new ATOM 0 HH TYR A 517 5.166 2.135 2.609 1.00 0.00 H new ATOM 176 N TRP A 518 1.783 3.899 7.687 1.00 0.00 N ATOM 177 CA TRP A 518 1.971 5.330 7.519 1.00 0.00 C ATOM 178 C TRP A 518 0.823 6.079 8.166 1.00 0.00 C ATOM 179 O TRP A 518 0.101 5.524 8.994 1.00 0.00 O ATOM 180 CB TRP A 518 2.102 5.700 6.045 1.00 0.00 C ATOM 181 CG TRP A 518 3.044 6.845 5.830 1.00 0.00 C ATOM 182 CD1 TRP A 518 2.755 8.030 5.228 1.00 0.00 C ATOM 183 CD2 TRP A 518 4.416 6.924 6.236 1.00 0.00 C ATOM 184 NE1 TRP A 518 3.865 8.840 5.221 1.00 0.00 N ATOM 185 CE2 TRP A 518 4.898 8.183 5.833 1.00 0.00 C ATOM 186 CE3 TRP A 518 5.285 6.050 6.895 1.00 0.00 C ATOM 187 CZ2 TRP A 518 6.208 8.591 6.069 1.00 0.00 C ATOM 188 CZ3 TRP A 518 6.587 6.456 7.130 1.00 0.00 C ATOM 189 CH2 TRP A 518 7.037 7.716 6.717 1.00 0.00 C ATOM 0 H TRP A 518 1.180 3.467 6.987 1.00 0.00 H new ATOM 0 HA TRP A 518 2.900 5.618 8.011 1.00 0.00 H new ATOM 0 HB2 TRP A 518 2.452 4.833 5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 518 1.120 5.960 5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.793 8.296 4.815 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.912 9.778 4.824 1.00 0.00 H new ATOM 0 HE3 TRP A 518 4.947 5.076 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 6.557 9.563 5.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 7.267 5.790 7.640 1.00 0.00 H new ATOM 0 HH2 TRP A 518 8.059 8.003 6.914 1.00 0.00 H new ATOM 200 N THR A 519 0.664 7.343 7.814 1.00 0.00 N ATOM 201 CA THR A 519 -0.391 8.148 8.401 1.00 0.00 C ATOM 202 C THR A 519 -1.075 9.057 7.380 1.00 0.00 C ATOM 203 O THR A 519 -1.995 9.795 7.736 1.00 0.00 O ATOM 204 CB THR A 519 0.169 8.981 9.561 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.550 10.194 9.713 1.00 0.00 O ATOM 206 CG2 THR A 519 1.634 9.331 9.397 1.00 0.00 C ATOM 0 H THR A 519 1.246 7.829 7.132 1.00 0.00 H new ATOM 0 HA THR A 519 -1.151 7.461 8.774 1.00 0.00 H new ATOM 0 HB THR A 519 0.059 8.349 10.442 1.00 0.00 H new ATOM 0 HG1 THR A 519 -1.475 10.066 9.414 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.965 9.920 10.252 1.00 0.00 H new ATOM 0 HG22 THR A 519 2.222 8.415 9.338 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.770 9.909 8.483 1.00 0.00 H new ATOM 214 N THR A 520 -0.646 9.018 6.118 1.00 0.00 N ATOM 215 CA THR A 520 -1.279 9.874 5.110 1.00 0.00 C ATOM 216 C THR A 520 -1.083 9.374 3.680 1.00 0.00 C ATOM 217 O THR A 520 -2.054 9.088 2.980 1.00 0.00 O ATOM 218 CB THR A 520 -0.742 11.308 5.236 1.00 0.00 C ATOM 219 OG1 THR A 520 -1.644 12.115 5.973 1.00 0.00 O ATOM 220 CG2 THR A 520 -0.500 11.994 3.903 1.00 0.00 C ATOM 0 H THR A 520 0.110 8.426 5.775 1.00 0.00 H new ATOM 0 HA THR A 520 -2.351 9.848 5.306 1.00 0.00 H new ATOM 0 HB THR A 520 0.216 11.206 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 520 -2.001 11.602 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 520 -0.122 13.002 4.076 1.00 0.00 H new ATOM 0 HG22 THR A 520 0.231 11.425 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 520 -1.436 12.048 3.346 1.00 0.00 H new ATOM 228 N GLN A 521 0.164 9.307 3.235 1.00 0.00 N ATOM 229 CA GLN A 521 0.451 8.883 1.871 1.00 0.00 C ATOM 230 C GLN A 521 0.091 7.426 1.642 1.00 0.00 C ATOM 231 O GLN A 521 -0.019 6.638 2.581 1.00 0.00 O ATOM 232 CB GLN A 521 1.920 9.117 1.517 1.00 0.00 C ATOM 233 CG GLN A 521 2.888 8.233 2.284 1.00 0.00 C ATOM 234 CD GLN A 521 3.888 7.536 1.380 1.00 0.00 C ATOM 235 OE1 GLN A 521 3.702 7.466 0.166 1.00 0.00 O ATOM 236 NE2 GLN A 521 4.959 7.016 1.972 1.00 0.00 N ATOM 0 H GLN A 521 0.986 9.538 3.792 1.00 0.00 H new ATOM 0 HA GLN A 521 -0.172 9.493 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 521 2.057 8.948 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 521 2.168 10.161 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 521 3.425 8.838 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 521 2.326 7.484 2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 521 5.073 7.097 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 521 5.666 6.536 1.416 1.00 0.00 H new ATOM 245 N ASP A 522 -0.086 7.083 0.373 1.00 0.00 N ATOM 246 CA ASP A 522 -0.430 5.724 -0.022 1.00 0.00 C ATOM 247 C ASP A 522 0.564 4.716 0.548 1.00 0.00 C ATOM 248 O ASP A 522 0.259 3.529 0.672 1.00 0.00 O ATOM 249 CB ASP A 522 -0.481 5.616 -1.548 1.00 0.00 C ATOM 250 CG ASP A 522 -1.839 5.995 -2.107 1.00 0.00 C ATOM 251 OD1 ASP A 522 -2.845 5.827 -1.387 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.896 6.459 -3.266 1.00 0.00 O ATOM 0 H ASP A 522 0.004 7.734 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 522 -1.414 5.491 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.281 6.263 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -0.240 4.596 -1.846 1.00 0.00 H new ATOM 257 N GLU A 523 1.749 5.203 0.899 1.00 0.00 N ATOM 258 CA GLU A 523 2.810 4.374 1.472 1.00 0.00 C ATOM 259 C GLU A 523 2.913 3.008 0.799 1.00 0.00 C ATOM 260 O GLU A 523 3.284 2.017 1.429 1.00 0.00 O ATOM 261 CB GLU A 523 2.604 4.205 2.977 1.00 0.00 C ATOM 262 CG GLU A 523 1.275 3.577 3.379 1.00 0.00 C ATOM 263 CD GLU A 523 1.254 2.074 3.191 1.00 0.00 C ATOM 264 OE1 GLU A 523 0.919 1.619 2.079 1.00 0.00 O ATOM 265 OE2 GLU A 523 1.574 1.351 4.159 1.00 0.00 O ATOM 0 H GLU A 523 2.004 6.185 0.795 1.00 0.00 H new ATOM 0 HA GLU A 523 3.750 4.895 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 523 3.413 3.591 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 523 2.685 5.183 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.069 3.811 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 523 0.474 4.023 2.789 1.00 0.00 H new ATOM 272 N GLY A 524 2.587 2.968 -0.480 1.00 0.00 N ATOM 273 CA GLY A 524 2.648 1.726 -1.229 1.00 0.00 C ATOM 274 C GLY A 524 1.280 1.254 -1.666 1.00 0.00 C ATOM 275 O GLY A 524 1.111 0.106 -2.076 1.00 0.00 O ATOM 0 H GLY A 524 2.279 3.777 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 524 3.280 1.864 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 524 3.117 0.957 -0.616 1.00 0.00 H new ATOM 279 N ALA A 525 0.300 2.142 -1.567 1.00 0.00 N ATOM 280 CA ALA A 525 -1.071 1.824 -1.941 1.00 0.00 C ATOM 281 C ALA A 525 -1.223 1.637 -3.452 1.00 0.00 C ATOM 282 O ALA A 525 -2.026 2.315 -4.093 1.00 0.00 O ATOM 283 CB ALA A 525 -2.013 2.912 -1.444 1.00 0.00 C ATOM 0 H ALA A 525 0.431 3.095 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 525 -1.332 0.877 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -3.036 2.665 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.945 2.984 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -1.733 3.867 -1.889 1.00 0.00 H new ATOM 289 N ALA A 526 -0.457 0.706 -4.013 1.00 0.00 N ATOM 290 CA ALA A 526 -0.512 0.420 -5.442 1.00 0.00 C ATOM 291 C ALA A 526 -0.293 1.673 -6.270 1.00 0.00 C ATOM 292 O ALA A 526 -1.240 2.348 -6.672 1.00 0.00 O ATOM 293 CB ALA A 526 -1.834 -0.235 -5.805 1.00 0.00 C ATOM 0 H ALA A 526 0.212 0.135 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 526 0.297 -0.274 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -1.856 -0.441 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -1.941 -1.169 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -2.655 0.434 -5.547 1.00 0.00 H new ATOM 299 N ILE A 527 0.971 1.976 -6.510 1.00 0.00 N ATOM 300 CA ILE A 527 1.350 3.140 -7.273 1.00 0.00 C ATOM 301 C ILE A 527 2.862 3.180 -7.457 1.00 0.00 C ATOM 302 O ILE A 527 3.359 3.322 -8.573 1.00 0.00 O ATOM 303 CB ILE A 527 0.868 4.407 -6.564 1.00 0.00 C ATOM 304 CG1 ILE A 527 1.329 5.667 -7.301 1.00 0.00 C ATOM 305 CG2 ILE A 527 1.350 4.404 -5.129 1.00 0.00 C ATOM 306 CD1 ILE A 527 0.524 6.900 -6.950 1.00 0.00 C ATOM 0 H ILE A 527 1.759 1.419 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 527 0.882 3.086 -8.256 1.00 0.00 H new ATOM 0 HB ILE A 527 -0.222 4.415 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 527 2.378 5.850 -7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 527 1.264 5.494 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 527 1.005 5.308 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 527 0.953 3.529 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 527 2.439 4.373 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 527 0.905 7.755 -7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -0.523 6.736 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 527 0.609 7.098 -5.881 1.00 0.00 H new ATOM 318 N GLY A 528 3.587 3.033 -6.350 1.00 0.00 N ATOM 319 CA GLY A 528 5.040 3.033 -6.394 1.00 0.00 C ATOM 320 C GLY A 528 5.653 4.329 -6.916 1.00 0.00 C ATOM 321 O GLY A 528 6.836 4.584 -6.688 1.00 0.00 O ATOM 0 H GLY A 528 3.191 2.913 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 528 5.422 2.842 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 528 5.373 2.208 -7.024 1.00 0.00 H new ATOM 325 N ALA A 529 4.863 5.149 -7.614 1.00 0.00 N ATOM 326 CA ALA A 529 5.351 6.414 -8.162 1.00 0.00 C ATOM 327 C ALA A 529 6.726 6.254 -8.807 1.00 0.00 C ATOM 328 O ALA A 529 7.550 7.168 -8.768 1.00 0.00 O ATOM 329 CB ALA A 529 5.397 7.473 -7.071 1.00 0.00 C ATOM 0 H ALA A 529 3.881 4.958 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 529 4.657 6.732 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 529 5.762 8.411 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 529 4.396 7.621 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 529 6.066 7.146 -6.275 1.00 0.00 H new ATOM 335 N ALA A 530 6.967 5.081 -9.395 1.00 0.00 N ATOM 336 CA ALA A 530 8.241 4.778 -10.044 1.00 0.00 C ATOM 337 C ALA A 530 8.348 3.282 -10.285 1.00 0.00 C ATOM 338 O ALA A 530 9.327 2.653 -9.885 1.00 0.00 O ATOM 339 CB ALA A 530 9.412 5.255 -9.189 1.00 0.00 C ATOM 0 H ALA A 530 6.289 4.320 -9.434 1.00 0.00 H new ATOM 0 HA ALA A 530 8.279 5.303 -10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.350 5.019 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.340 6.333 -9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 530 9.383 4.755 -8.221 1.00 0.00 H new ATOM 345 N TRP A 531 7.317 2.716 -10.917 1.00 0.00 N ATOM 346 CA TRP A 531 7.254 1.279 -11.199 1.00 0.00 C ATOM 347 C TRP A 531 8.025 0.500 -10.168 1.00 0.00 C ATOM 348 O TRP A 531 8.803 -0.402 -10.482 1.00 0.00 O ATOM 349 CB TRP A 531 7.777 0.957 -12.591 1.00 0.00 C ATOM 350 CG TRP A 531 8.913 1.825 -13.034 1.00 0.00 C ATOM 351 CD1 TRP A 531 10.078 2.052 -12.363 1.00 0.00 C ATOM 352 CD2 TRP A 531 8.998 2.576 -14.251 1.00 0.00 C ATOM 353 NE1 TRP A 531 10.881 2.902 -13.084 1.00 0.00 N ATOM 354 CE2 TRP A 531 10.241 3.236 -14.248 1.00 0.00 C ATOM 355 CE3 TRP A 531 8.143 2.754 -15.342 1.00 0.00 C ATOM 356 CZ2 TRP A 531 10.648 4.060 -15.293 1.00 0.00 C ATOM 357 CZ3 TRP A 531 8.549 3.573 -16.380 1.00 0.00 C ATOM 358 CH2 TRP A 531 9.791 4.216 -16.349 1.00 0.00 C ATOM 0 H TRP A 531 6.505 3.238 -11.247 1.00 0.00 H new ATOM 0 HA TRP A 531 6.205 0.986 -11.155 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.099 -0.084 -12.614 1.00 0.00 H new ATOM 0 HB3 TRP A 531 6.960 1.054 -13.306 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.333 1.626 -11.404 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.804 3.231 -12.799 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.183 2.261 -15.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 11.606 4.559 -15.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 7.897 3.718 -17.228 1.00 0.00 H new ATOM 0 HH2 TRP A 531 10.080 4.849 -17.175 1.00 0.00 H new ATOM 369 N ILE A 532 7.810 0.881 -8.933 1.00 0.00 N ATOM 370 CA ILE A 532 8.477 0.269 -7.831 1.00 0.00 C ATOM 371 C ILE A 532 7.506 0.031 -6.678 1.00 0.00 C ATOM 372 O ILE A 532 7.924 -0.095 -5.534 1.00 0.00 O ATOM 373 CB ILE A 532 9.609 1.191 -7.388 1.00 0.00 C ATOM 374 CG1 ILE A 532 10.505 0.510 -6.350 1.00 0.00 C ATOM 375 CG2 ILE A 532 9.013 2.486 -6.861 1.00 0.00 C ATOM 376 CD1 ILE A 532 11.776 1.274 -6.050 1.00 0.00 C ATOM 0 H ILE A 532 7.165 1.627 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 532 8.876 -0.699 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 532 10.247 1.420 -8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 532 9.942 0.381 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 532 10.766 -0.487 -6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 532 9.815 3.152 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 532 8.434 2.967 -7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 532 8.363 2.269 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 532 12.360 0.731 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 532 12.361 1.380 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 532 11.524 2.262 -5.663 1.00 0.00 H new ATOM 388 N PRO A 533 6.187 -0.053 -6.951 1.00 0.00 N ATOM 389 CA PRO A 533 5.211 -0.298 -5.897 1.00 0.00 C ATOM 390 C PRO A 533 5.408 -1.683 -5.303 1.00 0.00 C ATOM 391 O PRO A 533 4.942 -1.986 -4.204 1.00 0.00 O ATOM 392 CB PRO A 533 3.861 -0.200 -6.607 1.00 0.00 C ATOM 393 CG PRO A 533 4.161 -0.457 -8.042 1.00 0.00 C ATOM 394 CD PRO A 533 5.550 0.050 -8.278 1.00 0.00 C ATOM 0 HA PRO A 533 5.298 0.407 -5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 533 3.155 -0.931 -6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 533 3.412 0.783 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 533 4.091 -1.521 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 533 3.446 0.054 -8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 533 6.075 -0.549 -9.022 1.00 0.00 H new ATOM 0 HD3 PRO A 533 5.545 1.077 -8.642 1.00 0.00 H new ATOM 402 N TYR A 534 6.119 -2.511 -6.057 1.00 0.00 N ATOM 403 CA TYR A 534 6.422 -3.869 -5.659 1.00 0.00 C ATOM 404 C TYR A 534 7.216 -3.878 -4.356 1.00 0.00 C ATOM 405 O TYR A 534 6.816 -4.507 -3.377 1.00 0.00 O ATOM 406 CB TYR A 534 7.214 -4.554 -6.776 1.00 0.00 C ATOM 407 CG TYR A 534 6.485 -4.588 -8.107 1.00 0.00 C ATOM 408 CD1 TYR A 534 6.532 -3.510 -8.999 1.00 0.00 C ATOM 409 CD2 TYR A 534 5.744 -5.704 -8.473 1.00 0.00 C ATOM 410 CE1 TYR A 534 5.862 -3.559 -10.208 1.00 0.00 C ATOM 411 CE2 TYR A 534 5.074 -5.756 -9.680 1.00 0.00 C ATOM 412 CZ TYR A 534 5.135 -4.683 -10.543 1.00 0.00 C ATOM 413 OH TYR A 534 4.468 -4.733 -11.745 1.00 0.00 O ATOM 0 H TYR A 534 6.502 -2.253 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 534 5.493 -4.413 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 534 8.165 -4.037 -6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 534 7.445 -5.575 -6.472 1.00 0.00 H new ATOM 0 HD1 TYR A 534 7.099 -2.628 -8.740 1.00 0.00 H new ATOM 0 HD2 TYR A 534 5.690 -6.548 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 534 5.908 -2.721 -10.887 1.00 0.00 H new ATOM 0 HE2 TYR A 534 4.505 -6.634 -9.946 1.00 0.00 H new ATOM 0 HH TYR A 534 4.006 -5.593 -11.827 1.00 0.00 H new ATOM 423 N PHE A 535 8.341 -3.167 -4.350 1.00 0.00 N ATOM 424 CA PHE A 535 9.189 -3.087 -3.165 1.00 0.00 C ATOM 425 C PHE A 535 9.563 -1.640 -2.837 1.00 0.00 C ATOM 426 O PHE A 535 10.430 -1.390 -2.000 1.00 0.00 O ATOM 427 CB PHE A 535 10.455 -3.921 -3.359 1.00 0.00 C ATOM 428 CG PHE A 535 11.029 -3.837 -4.746 1.00 0.00 C ATOM 429 CD1 PHE A 535 10.426 -4.506 -5.799 1.00 0.00 C ATOM 430 CD2 PHE A 535 12.170 -3.092 -4.994 1.00 0.00 C ATOM 431 CE1 PHE A 535 10.950 -4.431 -7.076 1.00 0.00 C ATOM 432 CE2 PHE A 535 12.698 -3.013 -6.269 1.00 0.00 C ATOM 433 CZ PHE A 535 12.088 -3.684 -7.310 1.00 0.00 C ATOM 0 H PHE A 535 8.686 -2.639 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 535 8.620 -3.487 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.209 -3.593 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 535 10.231 -4.963 -3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 535 9.537 -5.092 -5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.652 -2.567 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 535 10.470 -4.956 -7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 535 13.587 -2.427 -6.451 1.00 0.00 H new ATOM 0 HZ PHE A 535 12.500 -3.625 -8.306 1.00 0.00 H new ATOM 443 N GLY A 536 8.907 -0.690 -3.497 1.00 0.00 N ATOM 444 CA GLY A 536 9.186 0.717 -3.257 1.00 0.00 C ATOM 445 C GLY A 536 8.911 1.112 -1.823 1.00 0.00 C ATOM 446 O GLY A 536 9.652 0.730 -0.926 1.00 0.00 O ATOM 0 H GLY A 536 8.185 -0.869 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 536 10.228 0.926 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.577 1.327 -3.924 1.00 0.00 H new ATOM 450 N PRO A 537 7.813 1.835 -1.562 1.00 0.00 N ATOM 451 CA PRO A 537 7.426 2.233 -0.209 1.00 0.00 C ATOM 452 C PRO A 537 6.680 1.102 0.477 1.00 0.00 C ATOM 453 O PRO A 537 5.842 1.317 1.353 1.00 0.00 O ATOM 454 CB PRO A 537 6.484 3.392 -0.482 1.00 0.00 C ATOM 455 CG PRO A 537 5.767 2.928 -1.695 1.00 0.00 C ATOM 456 CD PRO A 537 6.817 2.279 -2.552 1.00 0.00 C ATOM 0 HA PRO A 537 8.266 2.484 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 537 5.804 3.570 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.023 4.323 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 537 4.977 2.222 -1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.294 3.761 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 537 6.414 1.443 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.244 2.979 -3.270 1.00 0.00 H new ATOM 464 N ALA A 538 7.004 -0.105 0.049 1.00 0.00 N ATOM 465 CA ALA A 538 6.411 -1.308 0.562 1.00 0.00 C ATOM 466 C ALA A 538 7.517 -2.222 1.043 1.00 0.00 C ATOM 467 O ALA A 538 7.298 -3.118 1.859 1.00 0.00 O ATOM 468 CB ALA A 538 5.595 -1.990 -0.527 1.00 0.00 C ATOM 0 H ALA A 538 7.700 -0.270 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 538 5.744 -1.073 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 538 5.148 -2.902 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 538 4.807 -1.318 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 538 6.245 -2.240 -1.366 1.00 0.00 H new ATOM 474 N ALA A 539 8.719 -1.980 0.519 1.00 0.00 N ATOM 475 CA ALA A 539 9.872 -2.775 0.888 1.00 0.00 C ATOM 476 C ALA A 539 11.196 -2.025 0.722 1.00 0.00 C ATOM 477 O ALA A 539 12.263 -2.634 0.800 1.00 0.00 O ATOM 478 CB ALA A 539 9.892 -4.066 0.096 1.00 0.00 C ATOM 0 H ALA A 539 8.911 -1.242 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 539 9.774 -2.999 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.763 -4.655 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 539 8.986 -4.634 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.942 -3.839 -0.969 1.00 0.00 H new ATOM 484 N GLU A 540 11.145 -0.708 0.528 1.00 0.00 N ATOM 485 CA GLU A 540 12.374 0.078 0.403 1.00 0.00 C ATOM 486 C GLU A 540 12.982 0.243 1.786 1.00 0.00 C ATOM 487 O GLU A 540 13.106 1.352 2.306 1.00 0.00 O ATOM 488 CB GLU A 540 12.097 1.451 -0.199 1.00 0.00 C ATOM 489 CG GLU A 540 11.119 2.286 0.612 1.00 0.00 C ATOM 490 CD GLU A 540 10.507 3.413 -0.198 1.00 0.00 C ATOM 491 OE1 GLU A 540 10.573 3.354 -1.444 1.00 0.00 O ATOM 492 OE2 GLU A 540 9.960 4.354 0.415 1.00 0.00 O ATOM 0 H GLU A 540 10.282 -0.169 0.455 1.00 0.00 H new ATOM 0 HA GLU A 540 13.061 -0.445 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 540 13.037 1.995 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 540 11.704 1.323 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.325 1.643 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 540 11.633 2.703 1.478 1.00 0.00 H new ATOM 499 N GLY A 541 13.298 -0.883 2.397 1.00 0.00 N ATOM 500 CA GLY A 541 13.821 -0.880 3.745 1.00 0.00 C ATOM 501 C GLY A 541 12.705 -1.155 4.737 1.00 0.00 C ATOM 502 O GLY A 541 12.951 -1.456 5.905 1.00 0.00 O ATOM 0 H GLY A 541 13.201 -1.809 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 541 14.600 -1.636 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 541 14.283 0.083 3.962 1.00 0.00 H new ATOM 506 N ILE A 542 11.466 -1.052 4.245 1.00 0.00 N ATOM 507 CA ILE A 542 10.278 -1.285 5.044 1.00 0.00 C ATOM 508 C ILE A 542 10.219 -2.727 5.546 1.00 0.00 C ATOM 509 O ILE A 542 9.862 -2.973 6.697 1.00 0.00 O ATOM 510 CB ILE A 542 9.009 -0.946 4.221 1.00 0.00 C ATOM 511 CG1 ILE A 542 8.497 0.432 4.619 1.00 0.00 C ATOM 512 CG2 ILE A 542 7.918 -1.991 4.406 1.00 0.00 C ATOM 513 CD1 ILE A 542 7.595 1.056 3.585 1.00 0.00 C ATOM 0 H ILE A 542 11.268 -0.803 3.276 1.00 0.00 H new ATOM 0 HA ILE A 542 10.322 -0.632 5.916 1.00 0.00 H new ATOM 0 HB ILE A 542 9.280 -0.945 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 542 7.956 0.352 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 542 9.347 1.091 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 542 7.046 -1.716 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 542 8.287 -2.964 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 542 7.639 -2.043 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 542 7.267 2.036 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 542 8.139 1.167 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 542 6.726 0.417 3.427 1.00 0.00 H new ATOM 525 N TYR A 543 10.566 -3.675 4.674 1.00 0.00 N ATOM 526 CA TYR A 543 10.546 -5.097 5.022 1.00 0.00 C ATOM 527 C TYR A 543 11.125 -5.345 6.413 1.00 0.00 C ATOM 528 O TYR A 543 10.740 -6.295 7.094 1.00 0.00 O ATOM 529 CB TYR A 543 11.315 -5.917 3.991 1.00 0.00 C ATOM 530 CG TYR A 543 12.745 -5.474 3.825 1.00 0.00 C ATOM 531 CD1 TYR A 543 13.051 -4.348 3.084 1.00 0.00 C ATOM 532 CD2 TYR A 543 13.784 -6.182 4.409 1.00 0.00 C ATOM 533 CE1 TYR A 543 14.358 -3.932 2.922 1.00 0.00 C ATOM 534 CE2 TYR A 543 15.096 -5.776 4.255 1.00 0.00 C ATOM 535 CZ TYR A 543 15.379 -4.650 3.510 1.00 0.00 C ATOM 536 OH TYR A 543 16.683 -4.241 3.353 1.00 0.00 O ATOM 0 H TYR A 543 10.865 -3.483 3.718 1.00 0.00 H new ATOM 0 HA TYR A 543 9.503 -5.413 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.299 -6.966 4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.806 -5.848 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 543 12.254 -3.783 2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 543 13.565 -7.064 4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 543 14.579 -3.050 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.896 -6.337 4.715 1.00 0.00 H new ATOM 0 HH TYR A 543 17.278 -4.855 3.831 1.00 0.00 H new ATOM 546 N ALA A 544 12.042 -4.477 6.836 1.00 0.00 N ATOM 547 CA ALA A 544 12.661 -4.595 8.154 1.00 0.00 C ATOM 548 C ALA A 544 11.603 -4.758 9.243 1.00 0.00 C ATOM 549 O ALA A 544 11.888 -5.260 10.331 1.00 0.00 O ATOM 550 CB ALA A 544 13.520 -3.378 8.438 1.00 0.00 C ATOM 0 H ALA A 544 12.372 -3.685 6.285 1.00 0.00 H new ATOM 0 HA ALA A 544 13.291 -5.484 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 544 13.976 -3.477 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 544 14.301 -3.300 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 544 12.900 -2.482 8.413 1.00 0.00 H new ATOM 556 N GLU A 545 10.379 -4.346 8.931 1.00 0.00 N ATOM 557 CA GLU A 545 9.263 -4.453 9.857 1.00 0.00 C ATOM 558 C GLU A 545 9.136 -5.895 10.328 1.00 0.00 C ATOM 559 O GLU A 545 8.998 -6.171 11.519 1.00 0.00 O ATOM 560 CB GLU A 545 7.976 -3.999 9.159 1.00 0.00 C ATOM 561 CG GLU A 545 7.804 -4.578 7.761 1.00 0.00 C ATOM 562 CD GLU A 545 7.088 -5.910 7.766 1.00 0.00 C ATOM 563 OE1 GLU A 545 6.096 -6.043 8.505 1.00 0.00 O ATOM 564 OE2 GLU A 545 7.523 -6.822 7.032 1.00 0.00 O ATOM 0 H GLU A 545 10.135 -3.930 8.032 1.00 0.00 H new ATOM 0 HA GLU A 545 9.435 -3.814 10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 545 7.120 -4.286 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.971 -2.911 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.246 -3.872 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 545 8.784 -4.698 7.299 1.00 0.00 H new ATOM 571 N GLY A 546 9.231 -6.805 9.370 1.00 0.00 N ATOM 572 CA GLY A 546 9.177 -8.222 9.662 1.00 0.00 C ATOM 573 C GLY A 546 7.997 -8.651 10.523 1.00 0.00 C ATOM 574 O GLY A 546 8.189 -9.303 11.549 1.00 0.00 O ATOM 0 H GLY A 546 9.346 -6.582 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 546 9.141 -8.772 8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 546 10.100 -8.511 10.165 1.00 0.00 H new ATOM 578 N LEU A 547 6.777 -8.311 10.112 1.00 0.00 N ATOM 579 CA LEU A 547 5.591 -8.703 10.875 1.00 0.00 C ATOM 580 C LEU A 547 4.309 -8.515 10.064 1.00 0.00 C ATOM 581 O LEU A 547 3.418 -9.364 10.094 1.00 0.00 O ATOM 582 CB LEU A 547 5.508 -7.925 12.192 1.00 0.00 C ATOM 583 CG LEU A 547 5.072 -6.465 12.070 1.00 0.00 C ATOM 584 CD1 LEU A 547 4.585 -5.942 13.412 1.00 0.00 C ATOM 585 CD2 LEU A 547 6.219 -5.619 11.548 1.00 0.00 C ATOM 0 H LEU A 547 6.583 -7.773 9.268 1.00 0.00 H new ATOM 0 HA LEU A 547 5.689 -9.765 11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 547 4.811 -8.439 12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 547 6.486 -7.955 12.673 1.00 0.00 H new ATOM 0 HG LEU A 547 4.246 -6.403 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 547 4.278 -4.901 13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.737 -6.538 13.749 1.00 0.00 H new ATOM 0 HD13 LEU A 547 5.390 -6.011 14.143 1.00 0.00 H new ATOM 0 HD21 LEU A 547 5.897 -4.581 11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 547 7.062 -5.684 12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 547 6.523 -5.984 10.567 1.00 0.00 H new ATOM 597 N MET A 548 4.222 -7.403 9.342 1.00 0.00 N ATOM 598 CA MET A 548 3.046 -7.104 8.522 1.00 0.00 C ATOM 599 C MET A 548 3.095 -5.676 7.976 1.00 0.00 C ATOM 600 O MET A 548 2.449 -5.365 6.976 1.00 0.00 O ATOM 601 CB MET A 548 1.759 -7.304 9.330 1.00 0.00 C ATOM 602 CG MET A 548 1.830 -6.744 10.742 1.00 0.00 C ATOM 603 SD MET A 548 0.225 -6.729 11.563 1.00 0.00 S ATOM 604 CE MET A 548 0.191 -5.061 12.212 1.00 0.00 C ATOM 0 H MET A 548 4.951 -6.691 9.306 1.00 0.00 H new ATOM 0 HA MET A 548 3.051 -7.795 7.679 1.00 0.00 H new ATOM 0 HB2 MET A 548 0.932 -6.830 8.802 1.00 0.00 H new ATOM 0 HB3 MET A 548 1.535 -8.369 9.382 1.00 0.00 H new ATOM 0 HG2 MET A 548 2.529 -7.338 11.330 1.00 0.00 H new ATOM 0 HG3 MET A 548 2.226 -5.729 10.707 1.00 0.00 H new ATOM 0 HE1 MET A 548 -0.744 -4.898 12.748 1.00 0.00 H new ATOM 0 HE2 MET A 548 1.030 -4.918 12.893 1.00 0.00 H new ATOM 0 HE3 MET A 548 0.266 -4.349 11.390 1.00 0.00 H new ATOM 614 N HIS A 549 3.857 -4.810 8.642 1.00 0.00 N ATOM 615 CA HIS A 549 3.982 -3.414 8.229 1.00 0.00 C ATOM 616 C HIS A 549 4.465 -3.279 6.781 1.00 0.00 C ATOM 617 O HIS A 549 4.398 -2.195 6.204 1.00 0.00 O ATOM 618 CB HIS A 549 4.932 -2.673 9.169 1.00 0.00 C ATOM 619 CG HIS A 549 4.229 -1.723 10.083 1.00 0.00 C ATOM 620 ND1 HIS A 549 2.880 -1.806 10.355 1.00 0.00 N ATOM 621 CD2 HIS A 549 4.688 -0.660 10.786 1.00 0.00 C ATOM 622 CE1 HIS A 549 2.539 -0.838 11.182 1.00 0.00 C ATOM 623 NE2 HIS A 549 3.617 -0.127 11.460 1.00 0.00 N ATOM 0 H HIS A 549 4.398 -5.052 9.472 1.00 0.00 H new ATOM 0 HA HIS A 549 2.989 -2.968 8.284 1.00 0.00 H new ATOM 0 HB2 HIS A 549 5.484 -3.400 9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 549 5.664 -2.124 8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 549 5.706 -0.299 10.812 1.00 0.00 H new ATOM 0 HE1 HIS A 549 1.546 -0.657 11.567 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.649 0.686 12.075 1.00 0.00 H new ATOM 632 N ASN A 550 4.952 -4.373 6.193 1.00 0.00 N ATOM 633 CA ASN A 550 5.437 -4.346 4.817 1.00 0.00 C ATOM 634 C ASN A 550 4.286 -4.328 3.804 1.00 0.00 C ATOM 635 O ASN A 550 4.504 -4.511 2.607 1.00 0.00 O ATOM 636 CB ASN A 550 6.339 -5.553 4.551 1.00 0.00 C ATOM 637 CG ASN A 550 5.605 -6.869 4.719 1.00 0.00 C ATOM 638 OD1 ASN A 550 5.413 -7.349 5.835 1.00 0.00 O ATOM 639 ND2 ASN A 550 5.191 -7.461 3.604 1.00 0.00 N ATOM 0 H ASN A 550 5.020 -5.284 6.648 1.00 0.00 H new ATOM 0 HA ASN A 550 6.008 -3.426 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 550 6.738 -5.489 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 550 7.190 -5.525 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 550 4.692 -8.349 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 550 5.372 -7.027 2.699 1.00 0.00 H new ATOM 646 N GLN A 551 3.065 -4.109 4.288 1.00 0.00 N ATOM 647 CA GLN A 551 1.884 -4.068 3.428 1.00 0.00 C ATOM 648 C GLN A 551 2.080 -3.123 2.241 1.00 0.00 C ATOM 649 O GLN A 551 3.140 -2.516 2.084 1.00 0.00 O ATOM 650 CB GLN A 551 0.666 -3.629 4.241 1.00 0.00 C ATOM 651 CG GLN A 551 0.960 -2.486 5.202 1.00 0.00 C ATOM 652 CD GLN A 551 0.782 -2.878 6.657 1.00 0.00 C ATOM 653 OE1 GLN A 551 0.388 -4.003 6.966 1.00 0.00 O ATOM 654 NE2 GLN A 551 1.065 -1.947 7.558 1.00 0.00 N ATOM 0 H GLN A 551 2.867 -3.956 5.277 1.00 0.00 H new ATOM 0 HA GLN A 551 1.724 -5.072 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -0.127 -3.324 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 551 0.290 -4.481 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 551 1.982 -2.141 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 551 0.302 -1.648 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 551 1.389 -1.028 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 551 0.959 -2.150 8.552 1.00 0.00 H new ATOM 663 N ASP A 552 1.046 -3.008 1.409 1.00 0.00 N ATOM 664 CA ASP A 552 1.095 -2.140 0.235 1.00 0.00 C ATOM 665 C ASP A 552 -0.074 -1.162 0.227 1.00 0.00 C ATOM 666 O ASP A 552 0.111 0.036 0.435 1.00 0.00 O ATOM 667 CB ASP A 552 1.080 -2.979 -1.045 1.00 0.00 C ATOM 668 CG ASP A 552 2.437 -3.578 -1.360 1.00 0.00 C ATOM 669 OD1 ASP A 552 3.125 -4.017 -0.414 1.00 0.00 O ATOM 670 OD2 ASP A 552 2.810 -3.610 -2.551 1.00 0.00 O ATOM 0 H ASP A 552 0.164 -3.506 1.527 1.00 0.00 H new ATOM 0 HA ASP A 552 2.022 -1.568 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.347 -3.780 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 552 0.758 -2.357 -1.880 1.00 0.00 H new ATOM 675 N GLY A 553 -1.280 -1.669 -0.014 1.00 0.00 N ATOM 676 CA GLY A 553 -2.446 -0.806 -0.042 1.00 0.00 C ATOM 677 C GLY A 553 -3.106 -0.746 -1.405 1.00 0.00 C ATOM 678 O GLY A 553 -3.462 0.333 -1.877 1.00 0.00 O ATOM 0 H GLY A 553 -1.469 -2.656 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -3.171 -1.160 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -2.154 0.200 0.259 1.00 0.00 H new ATOM 682 N LEU A 554 -3.257 -1.905 -2.044 1.00 0.00 N ATOM 683 CA LEU A 554 -3.872 -1.988 -3.372 1.00 0.00 C ATOM 684 C LEU A 554 -4.996 -0.964 -3.547 1.00 0.00 C ATOM 685 O LEU A 554 -4.837 0.024 -4.263 1.00 0.00 O ATOM 686 CB LEU A 554 -4.407 -3.402 -3.642 1.00 0.00 C ATOM 687 CG LEU A 554 -4.830 -4.201 -2.403 1.00 0.00 C ATOM 688 CD1 LEU A 554 -6.332 -4.446 -2.400 1.00 0.00 C ATOM 689 CD2 LEU A 554 -4.074 -5.520 -2.332 1.00 0.00 C ATOM 0 H LEU A 554 -2.961 -2.804 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 554 -3.091 -1.758 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -5.264 -3.325 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -3.639 -3.966 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 554 -4.581 -3.612 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.606 -5.014 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.857 -3.491 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.611 -5.009 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -4.388 -6.072 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -4.288 -6.111 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -3.003 -5.323 -2.276 1.00 0.00 H new ATOM 701 N ILE A 555 -6.125 -1.206 -2.889 1.00 0.00 N ATOM 702 CA ILE A 555 -7.272 -0.307 -2.972 1.00 0.00 C ATOM 703 C ILE A 555 -7.763 -0.180 -4.411 1.00 0.00 C ATOM 704 O ILE A 555 -7.010 0.201 -5.306 1.00 0.00 O ATOM 705 CB ILE A 555 -6.939 1.104 -2.433 1.00 0.00 C ATOM 706 CG1 ILE A 555 -6.318 1.048 -1.025 1.00 0.00 C ATOM 707 CG2 ILE A 555 -8.190 1.975 -2.424 1.00 0.00 C ATOM 708 CD1 ILE A 555 -6.524 -0.262 -0.294 1.00 0.00 C ATOM 0 H ILE A 555 -6.271 -2.019 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.055 -0.744 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.199 1.545 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -5.248 1.238 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.740 1.854 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.941 2.965 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.579 2.064 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.946 1.519 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.053 -0.209 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.591 -0.448 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.076 -1.073 -0.868 1.00 0.00 H new ATOM 720 N CYS A 556 -9.033 -0.499 -4.626 1.00 0.00 N ATOM 721 CA CYS A 556 -9.625 -0.418 -5.956 1.00 0.00 C ATOM 722 C CYS A 556 -9.687 1.028 -6.435 1.00 0.00 C ATOM 723 O CYS A 556 -9.581 1.301 -7.631 1.00 0.00 O ATOM 724 CB CYS A 556 -11.028 -1.026 -5.953 1.00 0.00 C ATOM 725 SG CYS A 556 -11.088 -2.756 -5.386 1.00 0.00 S ATOM 0 H CYS A 556 -9.673 -0.816 -3.898 1.00 0.00 H new ATOM 0 HA CYS A 556 -8.994 -0.984 -6.641 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.672 -0.423 -5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -11.438 -0.971 -6.961 1.00 0.00 H new ATOM 730 N GLY A 557 -9.870 1.951 -5.497 1.00 0.00 N ATOM 731 CA GLY A 557 -9.955 3.354 -5.846 1.00 0.00 C ATOM 732 C GLY A 557 -11.383 3.844 -5.851 1.00 0.00 C ATOM 733 O GLY A 557 -11.649 5.025 -5.629 1.00 0.00 O ATOM 0 H GLY A 557 -9.961 1.751 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -9.372 3.941 -5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -9.513 3.511 -6.830 1.00 0.00 H new ATOM 737 N LEU A 558 -12.301 2.926 -6.116 1.00 0.00 N ATOM 738 CA LEU A 558 -13.713 3.245 -6.166 1.00 0.00 C ATOM 739 C LEU A 558 -14.536 1.979 -6.360 1.00 0.00 C ATOM 740 O LEU A 558 -15.594 1.811 -5.753 1.00 0.00 O ATOM 741 CB LEU A 558 -13.971 4.214 -7.316 1.00 0.00 C ATOM 742 CG LEU A 558 -13.620 3.679 -8.712 1.00 0.00 C ATOM 743 CD1 LEU A 558 -14.319 4.495 -9.787 1.00 0.00 C ATOM 744 CD2 LEU A 558 -12.114 3.693 -8.925 1.00 0.00 C ATOM 0 H LEU A 558 -12.086 1.946 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.008 3.708 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.025 4.493 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -13.398 5.124 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 558 -13.968 2.648 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -14.059 4.101 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -15.398 4.434 -9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -14.002 5.536 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -11.884 3.311 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -11.743 4.714 -8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -11.635 3.065 -8.175 1.00 0.00 H new ATOM 756 N ARG A 559 -14.025 1.104 -7.223 1.00 0.00 N ATOM 757 CA ARG A 559 -14.660 -0.169 -7.561 1.00 0.00 C ATOM 758 C ARG A 559 -14.331 -0.515 -9.001 1.00 0.00 C ATOM 759 O ARG A 559 -14.352 0.352 -9.874 1.00 0.00 O ATOM 760 CB ARG A 559 -16.181 -0.122 -7.397 1.00 0.00 C ATOM 761 CG ARG A 559 -16.827 1.060 -8.098 1.00 0.00 C ATOM 762 CD ARG A 559 -17.904 1.703 -7.238 1.00 0.00 C ATOM 763 NE ARG A 559 -19.034 2.172 -8.034 1.00 0.00 N ATOM 764 CZ ARG A 559 -19.937 3.046 -7.598 1.00 0.00 C ATOM 765 NH1 ARG A 559 -19.847 3.548 -6.372 1.00 0.00 N ATOM 766 NH2 ARG A 559 -20.935 3.420 -8.387 1.00 0.00 N ATOM 0 H ARG A 559 -13.145 1.261 -7.715 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.276 -0.924 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.610 -1.045 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.423 -0.082 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.065 1.800 -8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.263 0.730 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -18.255 0.983 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -17.476 2.541 -6.688 1.00 0.00 H new ATOM 0 HE ARG A 559 -19.137 1.808 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -19.083 3.264 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -20.542 4.218 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.011 3.037 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.627 4.090 -8.051 1.00 0.00 H new ATOM 780 N GLN A 560 -14.025 -1.774 -9.254 1.00 0.00 N ATOM 781 CA GLN A 560 -13.691 -2.201 -10.596 1.00 0.00 C ATOM 782 C GLN A 560 -13.992 -3.684 -10.792 1.00 0.00 C ATOM 783 O GLN A 560 -14.238 -4.090 -11.948 1.00 0.00 O ATOM 784 CB GLN A 560 -12.217 -1.919 -10.884 1.00 0.00 C ATOM 785 CG GLN A 560 -11.897 -1.840 -12.365 1.00 0.00 C ATOM 786 CD GLN A 560 -10.415 -1.678 -12.635 1.00 0.00 C ATOM 787 OE1 GLN A 560 -9.970 -0.641 -13.127 1.00 0.00 O ATOM 788 NE2 GLN A 560 -9.638 -2.707 -12.313 1.00 0.00 N ATOM 789 OXT GLN A 560 -13.979 -4.428 -9.790 1.00 0.00 O ATOM 0 H GLN A 560 -14.001 -2.513 -8.552 1.00 0.00 H new ATOM 0 HA GLN A 560 -14.307 -1.636 -11.296 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -11.935 -0.980 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -11.609 -2.702 -10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -12.255 -2.743 -12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -12.436 -1.001 -12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -10.048 -3.548 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -8.632 -2.655 -12.472 1.00 0.00 H new TER 798 GLN A 560