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= -7.07! C(o=-10!,f=-13!) USER MOD Set 1.2: A 550 ASN : amide:sc= -3.14 K(o=-10,f=-11!) USER MOD Single : A 508 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.78) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -3.01! C(o=-3!,f=-1.2!) USER MOD Single : A 514 ASN : amide:sc= -4 K(o=-4,f=-6!) USER MOD Single : A 516 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.08) 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 180:sc= -1.53! 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 -151:sc= -5.03! (180deg=-6.82!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -2.46 K(o=-2.5,f=-11!) USER MOD Single : A 560 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.906 -11.043 -1.257 1.00 0.00 N ATOM 2 CA ALA A 507 -11.838 -10.502 -0.234 1.00 0.00 C ATOM 3 C ALA A 507 -11.171 -10.441 1.136 1.00 0.00 C ATOM 4 O ALA A 507 -10.366 -11.305 1.485 1.00 0.00 O ATOM 5 CB ALA A 507 -13.099 -11.351 -0.168 1.00 0.00 C ATOM 0 HA ALA A 507 -12.109 -9.487 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.773 -10.943 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.594 -11.344 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -12.835 -12.375 0.097 1.00 0.00 H new ATOM 13 N GLN A 508 -11.509 -9.414 1.908 1.00 0.00 N ATOM 14 CA GLN A 508 -10.942 -9.239 3.240 1.00 0.00 C ATOM 15 C GLN A 508 -11.552 -8.023 3.937 1.00 0.00 C ATOM 16 O GLN A 508 -11.532 -6.916 3.399 1.00 0.00 O ATOM 17 CB GLN A 508 -9.425 -9.079 3.151 1.00 0.00 C ATOM 18 CG GLN A 508 -8.980 -8.118 2.060 1.00 0.00 C ATOM 19 CD GLN A 508 -7.488 -8.181 1.798 1.00 0.00 C ATOM 20 OE1 GLN A 508 -7.054 -8.482 0.686 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.694 -7.898 2.824 1.00 0.00 N ATOM 0 H GLN A 508 -12.173 -8.690 1.634 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.175 -10.127 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -9.048 -8.726 4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.975 -10.055 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.516 -8.347 1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -9.252 -7.101 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.097 -7.653 3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.681 -7.925 2.708 1.00 0.00 H new ATOM 30 N PRO A 509 -12.115 -8.216 5.144 1.00 0.00 N ATOM 31 CA PRO A 509 -12.744 -7.147 5.912 1.00 0.00 C ATOM 32 C PRO A 509 -11.791 -6.504 6.915 1.00 0.00 C ATOM 33 O PRO A 509 -11.368 -7.133 7.884 1.00 0.00 O ATOM 34 CB PRO A 509 -13.824 -7.915 6.646 1.00 0.00 C ATOM 35 CG PRO A 509 -13.120 -9.165 7.028 1.00 0.00 C ATOM 36 CD PRO A 509 -12.208 -9.498 5.867 1.00 0.00 C ATOM 0 HA PRO A 509 -13.090 -6.321 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -14.189 -7.371 7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -14.687 -8.112 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.549 -9.027 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -13.829 -9.972 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -11.231 -9.842 6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -12.624 -10.287 5.240 1.00 0.00 H new ATOM 44 N LYS A 510 -11.471 -5.247 6.676 1.00 0.00 N ATOM 45 CA LYS A 510 -10.574 -4.494 7.554 1.00 0.00 C ATOM 46 C LYS A 510 -10.883 -3.004 7.509 1.00 0.00 C ATOM 47 O LYS A 510 -11.047 -2.355 8.542 1.00 0.00 O ATOM 48 CB LYS A 510 -9.116 -4.741 7.165 1.00 0.00 C ATOM 49 CG LYS A 510 -8.482 -5.906 7.904 1.00 0.00 C ATOM 50 CD LYS A 510 -7.354 -6.528 7.100 1.00 0.00 C ATOM 51 CE LYS A 510 -7.799 -7.812 6.417 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.712 -8.830 6.384 1.00 0.00 N ATOM 0 H LYS A 510 -11.818 -4.716 5.877 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.733 -4.843 8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.061 -4.928 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.538 -3.838 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.099 -5.563 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.240 -6.661 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -7.005 -5.818 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.510 -6.738 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.663 -8.221 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.119 -7.590 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.056 -9.690 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -5.896 -8.450 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.424 -9.062 7.356 1.00 0.00 H new ATOM 66 N CYS A 511 -10.964 -2.483 6.297 1.00 0.00 N ATOM 67 CA CYS A 511 -11.262 -1.073 6.054 1.00 0.00 C ATOM 68 C CYS A 511 -10.058 -0.181 6.303 1.00 0.00 C ATOM 69 O CYS A 511 -10.174 0.898 6.884 1.00 0.00 O ATOM 70 CB CYS A 511 -12.468 -0.606 6.874 1.00 0.00 C ATOM 71 SG CYS A 511 -13.987 -0.383 5.888 1.00 0.00 S ATOM 0 H CYS A 511 -10.825 -3.026 5.445 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.517 -0.984 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.662 -1.332 7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.221 0.337 7.362 1.00 0.00 H new ATOM 76 N ASN A 512 -8.909 -0.622 5.816 1.00 0.00 N ATOM 77 CA ASN A 512 -7.686 0.151 5.939 1.00 0.00 C ATOM 78 C ASN A 512 -6.950 0.224 4.595 1.00 0.00 C ATOM 79 O ASN A 512 -5.719 0.191 4.554 1.00 0.00 O ATOM 80 CB ASN A 512 -6.773 -0.450 7.013 1.00 0.00 C ATOM 81 CG ASN A 512 -5.470 0.319 7.194 1.00 0.00 C ATOM 82 OD1 ASN A 512 -4.505 -0.208 7.746 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.429 1.569 6.731 1.00 0.00 N ATOM 0 H ASN A 512 -8.799 -1.513 5.331 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.955 1.164 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.308 -0.474 7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.544 -1.483 6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.577 2.122 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -6.249 1.972 6.279 1.00 0.00 H new ATOM 90 N PRO A 513 -7.687 0.317 3.464 1.00 0.00 N ATOM 91 CA PRO A 513 -7.080 0.385 2.136 1.00 0.00 C ATOM 92 C PRO A 513 -6.676 1.811 1.736 1.00 0.00 C ATOM 93 O PRO A 513 -5.652 2.317 2.195 1.00 0.00 O ATOM 94 CB PRO A 513 -8.199 -0.147 1.246 1.00 0.00 C ATOM 95 CG PRO A 513 -9.439 0.363 1.894 1.00 0.00 C ATOM 96 CD PRO A 513 -9.166 0.352 3.378 1.00 0.00 C ATOM 0 HA PRO A 513 -6.148 -0.176 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.104 0.216 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.190 -1.236 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.675 1.369 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.295 -0.267 1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.574 1.237 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.616 -0.515 3.861 1.00 0.00 H new ATOM 104 N ASN A 514 -7.465 2.451 0.865 1.00 0.00 N ATOM 105 CA ASN A 514 -7.158 3.796 0.405 1.00 0.00 C ATOM 106 C ASN A 514 -7.553 4.858 1.431 1.00 0.00 C ATOM 107 O ASN A 514 -7.447 6.055 1.166 1.00 0.00 O ATOM 108 CB ASN A 514 -7.852 4.065 -0.934 1.00 0.00 C ATOM 109 CG ASN A 514 -9.347 4.293 -0.794 1.00 0.00 C ATOM 110 OD1 ASN A 514 -9.785 5.179 -0.060 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.137 3.495 -1.501 1.00 0.00 N ATOM 0 H ASN A 514 -8.317 2.054 0.470 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.078 3.860 0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.399 4.939 -1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.680 3.221 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.150 3.603 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.731 2.773 -2.097 1.00 0.00 H new ATOM 118 N LEU A 515 -8.000 4.424 2.601 1.00 0.00 N ATOM 119 CA LEU A 515 -8.390 5.352 3.650 1.00 0.00 C ATOM 120 C LEU A 515 -7.265 5.490 4.667 1.00 0.00 C ATOM 121 O LEU A 515 -7.488 5.464 5.877 1.00 0.00 O ATOM 122 CB LEU A 515 -9.682 4.880 4.316 1.00 0.00 C ATOM 123 CG LEU A 515 -10.877 4.748 3.366 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.990 5.980 2.478 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.751 3.488 2.516 1.00 0.00 C ATOM 0 H LEU A 515 -8.101 3.439 2.846 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.575 6.333 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.501 3.914 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.942 5.579 5.111 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.784 4.669 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.844 5.870 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.128 6.865 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.079 6.088 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.609 3.412 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.836 3.537 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.718 2.613 3.165 1.00 0.00 H new ATOM 137 N HIS A 516 -6.049 5.631 4.145 1.00 0.00 N ATOM 138 CA HIS A 516 -4.851 5.772 4.965 1.00 0.00 C ATOM 139 C HIS A 516 -3.601 5.681 4.091 1.00 0.00 C ATOM 140 O HIS A 516 -2.579 6.297 4.386 1.00 0.00 O ATOM 141 CB HIS A 516 -4.809 4.694 6.054 1.00 0.00 C ATOM 142 CG HIS A 516 -4.750 5.251 7.442 1.00 0.00 C ATOM 143 ND1 HIS A 516 -5.308 4.616 8.533 1.00 0.00 N ATOM 144 CD2 HIS A 516 -4.192 6.390 7.918 1.00 0.00 C ATOM 145 CE1 HIS A 516 -5.098 5.342 9.617 1.00 0.00 C ATOM 146 NE2 HIS A 516 -4.422 6.421 9.271 1.00 0.00 N ATOM 0 H HIS A 516 -5.868 5.651 3.141 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.878 6.749 5.447 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.692 4.061 5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.941 4.056 5.890 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.665 7.135 7.341 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -5.424 5.094 10.616 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -4.119 7.159 9.906 1.00 0.00 H new ATOM 155 N TYR A 517 -3.701 4.903 3.013 1.00 0.00 N ATOM 156 CA TYR A 517 -2.592 4.711 2.076 1.00 0.00 C ATOM 157 C TYR A 517 -1.845 6.021 1.803 1.00 0.00 C ATOM 158 O TYR A 517 -0.615 6.047 1.740 1.00 0.00 O ATOM 159 CB TYR A 517 -3.122 4.106 0.767 1.00 0.00 C ATOM 160 CG TYR A 517 -3.783 5.107 -0.162 1.00 0.00 C ATOM 161 CD1 TYR A 517 -4.881 5.850 0.253 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.315 5.299 -1.455 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.493 6.757 -0.591 1.00 0.00 C ATOM 164 CE2 TYR A 517 -3.920 6.206 -2.307 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.007 6.932 -1.870 1.00 0.00 C ATOM 166 OH TYR A 517 -5.611 7.834 -2.714 1.00 0.00 O ATOM 0 H TYR A 517 -4.547 4.391 2.765 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.878 4.023 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.295 3.630 0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.840 3.322 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.263 5.716 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.464 4.731 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.346 7.325 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.542 6.344 -3.309 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.146 7.837 -3.577 1.00 0.00 H new ATOM 176 N TRP A 518 -2.598 7.105 1.654 1.00 0.00 N ATOM 177 CA TRP A 518 -2.025 8.425 1.400 1.00 0.00 C ATOM 178 C TRP A 518 -1.211 8.894 2.600 1.00 0.00 C ATOM 179 O TRP A 518 -1.703 9.646 3.440 1.00 0.00 O ATOM 180 CB TRP A 518 -3.145 9.428 1.121 1.00 0.00 C ATOM 181 CG TRP A 518 -4.309 9.275 2.055 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.282 8.750 3.315 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.670 9.636 1.800 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.539 8.765 3.861 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.411 9.307 2.951 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.331 10.209 0.713 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.782 9.532 3.042 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.693 10.432 0.804 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.405 10.094 1.962 1.00 0.00 C ATOM 0 H TRP A 518 -3.617 7.096 1.705 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.368 8.358 0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.749 10.440 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.490 9.304 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.398 8.377 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.786 8.428 4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.789 10.474 -0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.334 9.272 3.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.216 10.874 -0.031 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.468 10.281 2.003 1.00 0.00 H new ATOM 200 N THR A 519 0.031 8.438 2.688 1.00 0.00 N ATOM 201 CA THR A 519 0.889 8.807 3.805 1.00 0.00 C ATOM 202 C THR A 519 2.317 8.337 3.578 1.00 0.00 C ATOM 203 O THR A 519 3.261 9.125 3.615 1.00 0.00 O ATOM 204 CB THR A 519 0.335 8.184 5.080 1.00 0.00 C ATOM 205 OG1 THR A 519 1.228 8.363 6.164 1.00 0.00 O ATOM 206 CG2 THR A 519 0.058 6.702 4.943 1.00 0.00 C ATOM 0 H THR A 519 0.464 7.817 2.005 1.00 0.00 H new ATOM 0 HA THR A 519 0.904 9.893 3.894 1.00 0.00 H new ATOM 0 HB THR A 519 -0.607 8.699 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.849 7.956 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.335 6.317 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.673 6.540 4.151 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.982 6.180 4.695 1.00 0.00 H new ATOM 214 N THR A 520 2.457 7.045 3.334 1.00 0.00 N ATOM 215 CA THR A 520 3.751 6.441 3.084 1.00 0.00 C ATOM 216 C THR A 520 3.752 5.772 1.714 1.00 0.00 C ATOM 217 O THR A 520 4.799 5.375 1.204 1.00 0.00 O ATOM 218 CB THR A 520 4.081 5.422 4.180 1.00 0.00 C ATOM 219 OG1 THR A 520 5.443 5.044 4.120 1.00 0.00 O ATOM 220 CG2 THR A 520 3.249 4.157 4.102 1.00 0.00 C ATOM 0 H THR A 520 1.677 6.388 3.304 1.00 0.00 H new ATOM 0 HA THR A 520 4.516 7.218 3.096 1.00 0.00 H new ATOM 0 HB THR A 520 3.851 5.928 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.634 4.394 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.537 3.482 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.193 4.409 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.418 3.669 3.142 1.00 0.00 H new ATOM 228 N GLN A 521 2.563 5.657 1.123 1.00 0.00 N ATOM 229 CA GLN A 521 2.419 5.046 -0.183 1.00 0.00 C ATOM 230 C GLN A 521 2.459 6.112 -1.275 1.00 0.00 C ATOM 231 O GLN A 521 3.025 5.913 -2.347 1.00 0.00 O ATOM 232 CB GLN A 521 1.112 4.240 -0.248 1.00 0.00 C ATOM 233 CG GLN A 521 -0.072 5.014 -0.805 1.00 0.00 C ATOM 234 CD GLN A 521 -0.077 5.059 -2.318 1.00 0.00 C ATOM 235 OE1 GLN A 521 0.090 4.037 -2.981 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.267 6.249 -2.868 1.00 0.00 N ATOM 0 H GLN A 521 1.688 5.982 1.535 1.00 0.00 H new ATOM 0 HA GLN A 521 3.251 4.362 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.275 3.355 -0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.864 3.890 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -0.998 4.556 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.052 6.032 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.401 7.069 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.279 6.345 -3.883 1.00 0.00 H new ATOM 245 N ASP A 522 1.859 7.246 -0.976 1.00 0.00 N ATOM 246 CA ASP A 522 1.817 8.371 -1.907 1.00 0.00 C ATOM 247 C ASP A 522 3.036 9.271 -1.731 1.00 0.00 C ATOM 248 O ASP A 522 3.152 10.318 -2.367 1.00 0.00 O ATOM 249 CB ASP A 522 0.543 9.181 -1.692 1.00 0.00 C ATOM 250 CG ASP A 522 -0.134 9.557 -2.996 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.472 10.315 -3.782 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.269 9.092 -3.231 1.00 0.00 O ATOM 0 H ASP A 522 1.388 7.420 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 522 1.826 7.972 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.151 8.605 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.782 10.088 -1.136 1.00 0.00 H new ATOM 257 N GLU A 523 3.933 8.846 -0.861 1.00 0.00 N ATOM 258 CA GLU A 523 5.155 9.583 -0.574 1.00 0.00 C ATOM 259 C GLU A 523 6.330 8.622 -0.522 1.00 0.00 C ATOM 260 O GLU A 523 7.469 8.987 -0.809 1.00 0.00 O ATOM 261 CB GLU A 523 5.015 10.333 0.753 1.00 0.00 C ATOM 262 CG GLU A 523 3.583 10.732 1.068 1.00 0.00 C ATOM 263 CD GLU A 523 3.497 11.972 1.937 1.00 0.00 C ATOM 264 OE1 GLU A 523 4.018 13.027 1.518 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.911 11.886 3.036 1.00 0.00 O ATOM 0 H GLU A 523 3.837 7.979 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 523 5.332 10.312 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.396 9.706 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.637 11.228 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 523 3.046 10.909 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 523 3.083 9.905 1.572 1.00 0.00 H new ATOM 272 N GLY A 524 6.026 7.380 -0.169 1.00 0.00 N ATOM 273 CA GLY A 524 7.037 6.351 -0.099 1.00 0.00 C ATOM 274 C GLY A 524 6.815 5.278 -1.146 1.00 0.00 C ATOM 275 O GLY A 524 7.758 4.609 -1.566 1.00 0.00 O ATOM 0 H GLY A 524 5.085 7.068 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 524 8.022 6.798 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 524 7.029 5.899 0.893 1.00 0.00 H new ATOM 279 N ALA A 525 5.563 5.123 -1.573 1.00 0.00 N ATOM 280 CA ALA A 525 5.214 4.133 -2.584 1.00 0.00 C ATOM 281 C ALA A 525 4.857 4.810 -3.900 1.00 0.00 C ATOM 282 O ALA A 525 4.088 4.277 -4.701 1.00 0.00 O ATOM 283 CB ALA A 525 4.053 3.276 -2.098 1.00 0.00 C ATOM 0 H ALA A 525 4.774 5.672 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 525 6.079 3.492 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.800 2.540 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.339 2.764 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.188 3.911 -1.905 1.00 0.00 H new ATOM 289 N ALA A 526 5.410 5.997 -4.103 1.00 0.00 N ATOM 290 CA ALA A 526 5.141 6.771 -5.312 1.00 0.00 C ATOM 291 C ALA A 526 6.369 7.536 -5.804 1.00 0.00 C ATOM 292 O ALA A 526 6.316 8.201 -6.838 1.00 0.00 O ATOM 293 CB ALA A 526 4.002 7.742 -5.051 1.00 0.00 C ATOM 0 H ALA A 526 6.048 6.448 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 526 4.866 6.066 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.802 8.319 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.107 7.186 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.278 8.418 -4.242 1.00 0.00 H new ATOM 299 N ILE A 527 7.466 7.455 -5.062 1.00 0.00 N ATOM 300 CA ILE A 527 8.689 8.159 -5.430 1.00 0.00 C ATOM 301 C ILE A 527 9.917 7.271 -5.243 1.00 0.00 C ATOM 302 O ILE A 527 10.834 7.286 -6.065 1.00 0.00 O ATOM 303 CB ILE A 527 8.870 9.454 -4.602 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.844 9.519 -3.457 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.763 10.681 -5.500 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.508 10.122 -3.847 1.00 0.00 C ATOM 0 H ILE A 527 7.535 6.910 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 527 8.593 8.422 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 527 9.866 9.442 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.677 8.511 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.267 10.102 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.893 11.583 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.537 10.640 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.782 10.699 -5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.845 10.129 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.658 11.143 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.059 9.528 -4.643 1.00 0.00 H new ATOM 318 N GLY A 528 9.934 6.505 -4.157 1.00 0.00 N ATOM 319 CA GLY A 528 11.058 5.630 -3.885 1.00 0.00 C ATOM 320 C GLY A 528 11.168 4.489 -4.875 1.00 0.00 C ATOM 321 O GLY A 528 11.288 4.714 -6.079 1.00 0.00 O ATOM 0 H GLY A 528 9.189 6.475 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.979 6.213 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.960 5.223 -2.878 1.00 0.00 H new ATOM 325 N LEU A 529 11.133 3.262 -4.367 1.00 0.00 N ATOM 326 CA LEU A 529 11.237 2.083 -5.217 1.00 0.00 C ATOM 327 C LEU A 529 10.121 1.086 -4.920 1.00 0.00 C ATOM 328 O LEU A 529 10.375 -0.095 -4.683 1.00 0.00 O ATOM 329 CB LEU A 529 12.601 1.414 -5.031 1.00 0.00 C ATOM 330 CG LEU A 529 13.788 2.376 -4.966 1.00 0.00 C ATOM 331 CD1 LEU A 529 15.089 1.605 -4.798 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.839 3.245 -6.214 1.00 0.00 C ATOM 0 H LEU A 529 11.034 3.059 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 529 11.135 2.407 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.578 0.826 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.762 0.717 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 529 13.659 3.026 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 529 15.924 2.305 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 529 15.052 1.025 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 529 15.225 0.932 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.690 3.923 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.945 2.611 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.919 3.824 -6.292 1.00 0.00 H new ATOM 344 N ALA A 530 8.883 1.566 -4.950 1.00 0.00 N ATOM 345 CA ALA A 530 7.728 0.709 -4.699 1.00 0.00 C ATOM 346 C ALA A 530 7.277 0.016 -5.978 1.00 0.00 C ATOM 347 O ALA A 530 6.317 -0.754 -5.982 1.00 0.00 O ATOM 348 CB ALA A 530 6.586 1.512 -4.109 1.00 0.00 C ATOM 0 H ALA A 530 8.653 2.540 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 530 8.026 -0.055 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.735 0.856 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.904 1.960 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.297 2.299 -4.805 1.00 0.00 H new ATOM 354 N TRP A 531 7.992 0.292 -7.058 1.00 0.00 N ATOM 355 CA TRP A 531 7.699 -0.296 -8.356 1.00 0.00 C ATOM 356 C TRP A 531 8.635 -1.469 -8.614 1.00 0.00 C ATOM 357 O TRP A 531 8.831 -1.881 -9.758 1.00 0.00 O ATOM 358 CB TRP A 531 7.861 0.761 -9.458 1.00 0.00 C ATOM 359 CG TRP A 531 8.718 1.913 -9.036 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.072 1.908 -8.881 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.276 3.228 -8.682 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.502 3.139 -8.455 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.419 3.970 -8.329 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.026 3.853 -8.634 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.349 5.303 -7.931 1.00 0.00 C ATOM 366 CZ3 TRP A 531 6.958 5.176 -8.238 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.113 5.888 -7.892 1.00 0.00 C ATOM 0 H TRP A 531 8.789 0.928 -7.060 1.00 0.00 H new ATOM 0 HA TRP A 531 6.670 -0.656 -8.362 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.297 0.294 -10.341 1.00 0.00 H new ATOM 0 HB3 TRP A 531 6.878 1.132 -9.746 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.713 1.059 -9.066 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.471 3.395 -8.263 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.130 3.312 -8.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.238 5.855 -7.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 5.998 5.669 -8.195 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.026 6.921 -7.588 1.00 0.00 H new ATOM 378 N ILE A 532 9.225 -1.997 -7.541 1.00 0.00 N ATOM 379 CA ILE A 532 10.155 -3.113 -7.657 1.00 0.00 C ATOM 380 C ILE A 532 10.009 -4.096 -6.488 1.00 0.00 C ATOM 381 O ILE A 532 10.172 -3.720 -5.327 1.00 0.00 O ATOM 382 CB ILE A 532 11.622 -2.610 -7.741 1.00 0.00 C ATOM 383 CG1 ILE A 532 12.201 -2.334 -6.346 1.00 0.00 C ATOM 384 CG2 ILE A 532 11.703 -1.351 -8.597 1.00 0.00 C ATOM 385 CD1 ILE A 532 13.585 -1.715 -6.367 1.00 0.00 C ATOM 0 H ILE A 532 9.074 -1.669 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 532 9.908 -3.639 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 532 12.216 -3.398 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.525 -1.670 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.240 -3.270 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 532 12.737 -1.011 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.345 -1.571 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 532 11.085 -0.570 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 532 13.925 -1.550 -5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 532 14.276 -2.387 -6.876 1.00 0.00 H new ATOM 0 HD13 ILE A 532 13.550 -0.762 -6.896 1.00 0.00 H new ATOM 397 N PRO A 533 9.706 -5.376 -6.779 1.00 0.00 N ATOM 398 CA PRO A 533 9.558 -6.403 -5.753 1.00 0.00 C ATOM 399 C PRO A 533 10.902 -7.027 -5.394 1.00 0.00 C ATOM 400 O PRO A 533 11.121 -8.223 -5.593 1.00 0.00 O ATOM 401 CB PRO A 533 8.652 -7.423 -6.436 1.00 0.00 C ATOM 402 CG PRO A 533 9.019 -7.340 -7.880 1.00 0.00 C ATOM 403 CD PRO A 533 9.495 -5.928 -8.131 1.00 0.00 C ATOM 0 HA PRO A 533 9.159 -6.019 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 533 8.815 -8.426 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 533 7.599 -7.187 -6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 533 9.801 -8.060 -8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 533 8.162 -7.577 -8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 533 10.415 -5.915 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 533 8.756 -5.351 -8.687 1.00 0.00 H new ATOM 411 N TYR A 534 11.809 -6.197 -4.892 1.00 0.00 N ATOM 412 CA TYR A 534 13.150 -6.644 -4.533 1.00 0.00 C ATOM 413 C TYR A 534 13.327 -6.723 -3.016 1.00 0.00 C ATOM 414 O TYR A 534 13.911 -7.677 -2.502 1.00 0.00 O ATOM 415 CB TYR A 534 14.175 -5.692 -5.169 1.00 0.00 C ATOM 416 CG TYR A 534 15.337 -5.292 -4.282 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.150 -6.244 -3.677 1.00 0.00 C ATOM 418 CD2 TYR A 534 15.618 -3.953 -4.056 1.00 0.00 C ATOM 419 CE1 TYR A 534 17.207 -5.866 -2.870 1.00 0.00 C ATOM 420 CE2 TYR A 534 16.669 -3.566 -3.253 1.00 0.00 C ATOM 421 CZ TYR A 534 17.462 -4.526 -2.660 1.00 0.00 C ATOM 422 OH TYR A 534 18.513 -4.146 -1.858 1.00 0.00 O ATOM 0 H TYR A 534 11.639 -5.206 -4.724 1.00 0.00 H new ATOM 0 HA TYR A 534 13.308 -7.652 -4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.573 -6.163 -6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.656 -4.788 -5.487 1.00 0.00 H new ATOM 0 HD1 TYR A 534 15.953 -7.293 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 534 15.000 -3.198 -4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.830 -6.616 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 534 16.870 -2.518 -3.089 1.00 0.00 H new ATOM 0 HH TYR A 534 18.555 -3.168 -1.816 1.00 0.00 H new ATOM 432 N PHE A 535 12.829 -5.719 -2.306 1.00 0.00 N ATOM 433 CA PHE A 535 12.944 -5.687 -0.851 1.00 0.00 C ATOM 434 C PHE A 535 11.572 -5.649 -0.191 1.00 0.00 C ATOM 435 O PHE A 535 11.345 -6.311 0.821 1.00 0.00 O ATOM 436 CB PHE A 535 13.779 -4.484 -0.402 1.00 0.00 C ATOM 437 CG PHE A 535 13.281 -3.159 -0.911 1.00 0.00 C ATOM 438 CD1 PHE A 535 13.329 -2.860 -2.262 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.777 -2.210 -0.038 1.00 0.00 C ATOM 440 CE1 PHE A 535 12.885 -1.643 -2.735 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.331 -0.987 -0.503 1.00 0.00 C ATOM 442 CZ PHE A 535 12.386 -0.704 -1.854 1.00 0.00 C ATOM 0 H PHE A 535 12.343 -4.918 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 535 13.448 -6.601 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 535 13.799 -4.457 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.807 -4.625 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 535 13.720 -3.590 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 535 12.732 -2.428 1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 535 12.927 -1.425 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.941 -0.255 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 535 12.039 0.251 -2.221 1.00 0.00 H new ATOM 452 N GLY A 536 10.663 -4.874 -0.779 1.00 0.00 N ATOM 453 CA GLY A 536 9.307 -4.752 -0.253 1.00 0.00 C ATOM 454 C GLY A 536 9.224 -4.836 1.268 1.00 0.00 C ATOM 455 O GLY A 536 9.373 -3.828 1.957 1.00 0.00 O ATOM 0 H GLY A 536 10.841 -4.322 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.886 -3.801 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.688 -5.539 -0.685 1.00 0.00 H new ATOM 459 N PRO A 537 8.981 -6.043 1.820 1.00 0.00 N ATOM 460 CA PRO A 537 8.868 -6.267 3.275 1.00 0.00 C ATOM 461 C PRO A 537 10.103 -5.833 4.070 1.00 0.00 C ATOM 462 O PRO A 537 10.124 -5.937 5.296 1.00 0.00 O ATOM 463 CB PRO A 537 8.667 -7.785 3.397 1.00 0.00 C ATOM 464 CG PRO A 537 9.104 -8.345 2.087 1.00 0.00 C ATOM 465 CD PRO A 537 8.790 -7.292 1.067 1.00 0.00 C ATOM 0 HA PRO A 537 8.057 -5.670 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 537 9.257 -8.195 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 537 7.624 -8.029 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 537 10.169 -8.575 2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 537 8.579 -9.274 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.456 -7.351 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.772 -7.385 0.689 1.00 0.00 H new ATOM 473 N ALA A 538 11.129 -5.355 3.379 1.00 0.00 N ATOM 474 CA ALA A 538 12.355 -4.914 4.031 1.00 0.00 C ATOM 475 C ALA A 538 12.156 -3.559 4.690 1.00 0.00 C ATOM 476 O ALA A 538 12.705 -3.292 5.760 1.00 0.00 O ATOM 477 CB ALA A 538 13.500 -4.855 3.032 1.00 0.00 C ATOM 0 H ALA A 538 11.136 -5.262 2.363 1.00 0.00 H new ATOM 0 HA ALA A 538 12.608 -5.638 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 538 14.407 -4.524 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 538 13.663 -5.845 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 538 13.252 -4.154 2.235 1.00 0.00 H new ATOM 483 N ALA A 539 11.343 -2.715 4.064 1.00 0.00 N ATOM 484 CA ALA A 539 11.052 -1.404 4.615 1.00 0.00 C ATOM 485 C ALA A 539 10.095 -1.574 5.777 1.00 0.00 C ATOM 486 O ALA A 539 10.235 -0.952 6.831 1.00 0.00 O ATOM 487 CB ALA A 539 10.451 -0.498 3.556 1.00 0.00 C ATOM 0 H ALA A 539 10.878 -2.917 3.179 1.00 0.00 H new ATOM 0 HA ALA A 539 11.974 -0.937 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.241 0.479 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.155 -0.385 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.525 -0.937 3.184 1.00 0.00 H new ATOM 493 N GLU A 540 9.144 -2.473 5.566 1.00 0.00 N ATOM 494 CA GLU A 540 8.148 -2.831 6.561 1.00 0.00 C ATOM 495 C GLU A 540 7.739 -1.673 7.476 1.00 0.00 C ATOM 496 O GLU A 540 7.429 -1.887 8.649 1.00 0.00 O ATOM 497 CB GLU A 540 8.686 -3.997 7.377 1.00 0.00 C ATOM 498 CG GLU A 540 9.792 -3.611 8.346 1.00 0.00 C ATOM 499 CD GLU A 540 10.133 -4.726 9.316 1.00 0.00 C ATOM 500 OE1 GLU A 540 10.048 -5.907 8.917 1.00 0.00 O ATOM 501 OE2 GLU A 540 10.486 -4.419 10.474 1.00 0.00 O ATOM 0 H GLU A 540 9.043 -2.980 4.687 1.00 0.00 H new ATOM 0 HA GLU A 540 7.237 -3.110 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.865 -4.445 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 540 9.062 -4.761 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 540 10.685 -3.339 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.487 -2.727 8.907 1.00 0.00 H new ATOM 508 N GLY A 541 7.704 -0.458 6.937 1.00 0.00 N ATOM 509 CA GLY A 541 7.289 0.683 7.742 1.00 0.00 C ATOM 510 C GLY A 541 8.058 1.966 7.479 1.00 0.00 C ATOM 511 O GLY A 541 7.873 2.951 8.194 1.00 0.00 O ATOM 0 H GLY A 541 7.951 -0.242 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.230 0.869 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.394 0.423 8.795 1.00 0.00 H new ATOM 515 N ILE A 542 8.912 1.976 6.465 1.00 0.00 N ATOM 516 CA ILE A 542 9.681 3.174 6.148 1.00 0.00 C ATOM 517 C ILE A 542 9.080 3.911 4.959 1.00 0.00 C ATOM 518 O ILE A 542 9.056 5.142 4.927 1.00 0.00 O ATOM 519 CB ILE A 542 11.150 2.842 5.844 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.712 1.904 6.911 1.00 0.00 C ATOM 521 CG2 ILE A 542 11.976 4.117 5.761 1.00 0.00 C ATOM 522 CD1 ILE A 542 12.578 0.812 6.338 1.00 0.00 C ATOM 0 H ILE A 542 9.090 1.179 5.854 1.00 0.00 H new ATOM 0 HA ILE A 542 9.642 3.814 7.029 1.00 0.00 H new ATOM 0 HB ILE A 542 11.202 2.337 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.295 2.484 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.887 1.454 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.014 3.865 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 542 11.585 4.753 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 542 11.922 4.648 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.947 0.179 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.992 0.210 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 542 13.422 1.256 5.810 1.00 0.00 H new ATOM 534 N TYR A 543 8.593 3.152 3.986 1.00 0.00 N ATOM 535 CA TYR A 543 7.986 3.739 2.795 1.00 0.00 C ATOM 536 C TYR A 543 7.243 2.681 1.979 1.00 0.00 C ATOM 537 O TYR A 543 6.046 2.469 2.169 1.00 0.00 O ATOM 538 CB TYR A 543 9.040 4.445 1.924 1.00 0.00 C ATOM 539 CG TYR A 543 10.478 4.043 2.202 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.834 2.712 2.396 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.482 5.002 2.256 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.147 2.352 2.638 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.795 4.649 2.499 1.00 0.00 C ATOM 544 CZ TYR A 543 13.123 3.324 2.689 1.00 0.00 C ATOM 545 OH TYR A 543 14.431 2.969 2.929 1.00 0.00 O ATOM 0 H TYR A 543 8.605 2.132 3.996 1.00 0.00 H new ATOM 0 HA TYR A 543 7.264 4.485 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 543 8.818 4.242 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 543 8.946 5.521 2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.072 1.947 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 543 11.231 6.042 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.407 1.314 2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.562 5.408 2.540 1.00 0.00 H new ATOM 0 HH TYR A 543 14.993 3.772 2.932 1.00 0.00 H new ATOM 555 N ILE A 544 7.957 2.026 1.069 1.00 0.00 N ATOM 556 CA ILE A 544 7.369 0.996 0.224 1.00 0.00 C ATOM 557 C ILE A 544 6.865 -0.180 1.049 1.00 0.00 C ATOM 558 O ILE A 544 5.694 -0.539 0.987 1.00 0.00 O ATOM 559 CB ILE A 544 8.394 0.483 -0.799 1.00 0.00 C ATOM 560 CG1 ILE A 544 8.935 1.651 -1.623 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.772 -0.578 -1.695 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.293 2.133 -1.165 1.00 0.00 C ATOM 0 H ILE A 544 8.949 2.193 0.898 1.00 0.00 H new ATOM 0 HA ILE A 544 6.526 1.451 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 544 9.226 0.021 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 544 8.999 1.349 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.228 2.479 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.514 -0.929 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.432 -1.415 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.924 -0.151 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 544 10.616 2.963 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.231 2.466 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.013 1.318 -1.242 1.00 0.00 H new ATOM 574 N GLU A 545 7.758 -0.778 1.817 1.00 0.00 N ATOM 575 CA GLU A 545 7.405 -1.918 2.653 1.00 0.00 C ATOM 576 C GLU A 545 6.798 -3.041 1.806 1.00 0.00 C ATOM 577 O GLU A 545 7.148 -3.199 0.637 1.00 0.00 O ATOM 578 CB GLU A 545 6.434 -1.489 3.760 1.00 0.00 C ATOM 579 CG GLU A 545 6.445 0.004 4.061 1.00 0.00 C ATOM 580 CD GLU A 545 5.576 0.364 5.249 1.00 0.00 C ATOM 581 OE1 GLU A 545 5.262 -0.541 6.051 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.207 1.551 5.376 1.00 0.00 O ATOM 0 H GLU A 545 8.736 -0.495 1.881 1.00 0.00 H new ATOM 0 HA GLU A 545 8.314 -2.298 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.424 -1.783 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 545 6.678 -2.033 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.469 0.325 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.099 0.551 3.184 1.00 0.00 H new ATOM 589 N GLY A 546 5.885 -3.818 2.392 1.00 0.00 N ATOM 590 CA GLY A 546 5.256 -4.906 1.661 1.00 0.00 C ATOM 591 C GLY A 546 3.973 -4.477 0.987 1.00 0.00 C ATOM 592 O GLY A 546 3.099 -5.299 0.712 1.00 0.00 O ATOM 0 H GLY A 546 5.572 -3.712 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.949 -5.285 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.047 -5.728 2.346 1.00 0.00 H new ATOM 596 N LEU A 547 3.869 -3.187 0.717 1.00 0.00 N ATOM 597 CA LEU A 547 2.699 -2.634 0.065 1.00 0.00 C ATOM 598 C LEU A 547 3.038 -2.228 -1.364 1.00 0.00 C ATOM 599 O LEU A 547 3.914 -1.396 -1.601 1.00 0.00 O ATOM 600 CB LEU A 547 2.196 -1.420 0.842 1.00 0.00 C ATOM 601 CG LEU A 547 2.987 -0.152 0.561 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.318 0.659 -0.537 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.176 0.672 1.828 1.00 0.00 C ATOM 0 H LEU A 547 4.588 -2.500 0.942 1.00 0.00 H new ATOM 0 HA LEU A 547 1.917 -3.393 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.149 -1.248 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.240 -1.637 1.909 1.00 0.00 H new ATOM 0 HG LEU A 547 3.979 -0.438 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.897 1.563 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.267 0.064 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.310 0.932 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.745 1.572 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.202 0.952 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.717 0.082 2.568 1.00 0.00 H new ATOM 615 N MET A 548 2.350 -2.822 -2.309 1.00 0.00 N ATOM 616 CA MET A 548 2.578 -2.522 -3.717 1.00 0.00 C ATOM 617 C MET A 548 1.266 -2.415 -4.480 1.00 0.00 C ATOM 618 O MET A 548 1.253 -2.375 -5.710 1.00 0.00 O ATOM 619 CB MET A 548 3.460 -3.589 -4.343 1.00 0.00 C ATOM 620 CG MET A 548 4.800 -3.742 -3.644 1.00 0.00 C ATOM 621 SD MET A 548 5.138 -5.441 -3.150 1.00 0.00 S ATOM 622 CE MET A 548 3.904 -5.660 -1.869 1.00 0.00 C ATOM 0 H MET A 548 1.625 -3.518 -2.136 1.00 0.00 H new ATOM 0 HA MET A 548 3.082 -1.558 -3.777 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.935 -4.544 -4.322 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.630 -3.342 -5.391 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.593 -3.397 -4.308 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.820 -3.101 -2.763 1.00 0.00 H new ATOM 0 HE1 MET A 548 4.264 -6.382 -1.137 1.00 0.00 H new ATOM 0 HE2 MET A 548 3.718 -4.706 -1.376 1.00 0.00 H new ATOM 0 HE3 MET A 548 2.978 -6.025 -2.314 1.00 0.00 H new ATOM 632 N HIS A 549 0.164 -2.352 -3.746 1.00 0.00 N ATOM 633 CA HIS A 549 -1.150 -2.230 -4.353 1.00 0.00 C ATOM 634 C HIS A 549 -1.655 -0.798 -4.219 1.00 0.00 C ATOM 635 O HIS A 549 -2.651 -0.421 -4.837 1.00 0.00 O ATOM 636 CB HIS A 549 -2.137 -3.199 -3.694 1.00 0.00 C ATOM 637 CG HIS A 549 -1.523 -4.509 -3.303 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.968 -5.381 -4.215 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.370 -5.089 -2.089 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.501 -6.440 -3.579 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.732 -6.288 -2.289 1.00 0.00 N ATOM 0 H HIS A 549 0.156 -2.384 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.070 -2.482 -5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.559 -2.727 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.963 -3.385 -4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.690 -4.684 -1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 549 -0.013 -7.287 -4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.478 -6.953 -1.559 1.00 0.00 H new ATOM 650 N ASN A 550 -0.957 -0.007 -3.401 1.00 0.00 N ATOM 651 CA ASN A 550 -1.320 1.394 -3.170 1.00 0.00 C ATOM 652 C ASN A 550 -2.621 1.518 -2.373 1.00 0.00 C ATOM 653 O ASN A 550 -2.851 2.531 -1.714 1.00 0.00 O ATOM 654 CB ASN A 550 -1.443 2.146 -4.501 1.00 0.00 C ATOM 655 CG ASN A 550 -0.094 2.412 -5.145 1.00 0.00 C ATOM 656 OD1 ASN A 550 0.273 3.561 -5.389 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.650 1.349 -5.430 1.00 0.00 N ATOM 0 H ASN A 550 -0.133 -0.315 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.522 1.844 -2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.061 1.566 -5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.955 3.093 -4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.563 1.468 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 550 0.308 0.413 -5.211 1.00 0.00 H new ATOM 664 N GLN A 551 -3.466 0.486 -2.429 1.00 0.00 N ATOM 665 CA GLN A 551 -4.733 0.480 -1.710 1.00 0.00 C ATOM 666 C GLN A 551 -5.786 1.314 -2.421 1.00 0.00 C ATOM 667 O GLN A 551 -5.596 2.500 -2.687 1.00 0.00 O ATOM 668 CB GLN A 551 -4.549 0.962 -0.275 1.00 0.00 C ATOM 669 CG GLN A 551 -3.348 0.343 0.412 1.00 0.00 C ATOM 670 CD GLN A 551 -3.350 0.565 1.911 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.243 1.697 2.384 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.472 -0.518 2.670 1.00 0.00 N ATOM 0 H GLN A 551 -3.290 -0.360 -2.970 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.086 -0.551 -1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.442 2.047 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.447 0.730 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.330 -0.728 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.436 0.763 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.558 -1.437 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.480 -0.430 3.686 1.00 0.00 H new ATOM 681 N ASP A 552 -6.896 0.662 -2.724 1.00 0.00 N ATOM 682 CA ASP A 552 -8.015 1.298 -3.409 1.00 0.00 C ATOM 683 C ASP A 552 -9.321 0.569 -3.098 1.00 0.00 C ATOM 684 O ASP A 552 -9.989 0.058 -3.997 1.00 0.00 O ATOM 685 CB ASP A 552 -7.771 1.313 -4.919 1.00 0.00 C ATOM 686 CG ASP A 552 -7.520 -0.074 -5.478 1.00 0.00 C ATOM 687 OD1 ASP A 552 -6.514 -0.700 -5.082 1.00 0.00 O ATOM 688 OD2 ASP A 552 -8.330 -0.534 -6.310 1.00 0.00 O ATOM 0 H ASP A 552 -7.049 -0.322 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.097 2.325 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -8.634 1.753 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -6.915 1.951 -5.140 1.00 0.00 H new ATOM 693 N GLY A 553 -9.677 0.520 -1.816 1.00 0.00 N ATOM 694 CA GLY A 553 -10.896 -0.155 -1.412 1.00 0.00 C ATOM 695 C GLY A 553 -10.809 -1.655 -1.602 1.00 0.00 C ATOM 696 O GLY A 553 -11.646 -2.253 -2.281 1.00 0.00 O ATOM 0 H GLY A 553 -9.143 0.935 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.101 0.066 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.734 0.235 -1.990 1.00 0.00 H new ATOM 700 N LEU A 554 -9.789 -2.263 -1.007 1.00 0.00 N ATOM 701 CA LEU A 554 -9.585 -3.703 -1.115 1.00 0.00 C ATOM 702 C LEU A 554 -9.936 -4.408 0.190 1.00 0.00 C ATOM 703 O LEU A 554 -10.345 -5.570 0.187 1.00 0.00 O ATOM 704 CB LEU A 554 -8.132 -4.000 -1.490 1.00 0.00 C ATOM 705 CG LEU A 554 -7.606 -3.234 -2.706 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.207 -3.707 -3.070 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.550 -3.399 -3.889 1.00 0.00 C ATOM 0 H LEU A 554 -9.089 -1.780 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.246 -4.080 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.498 -3.771 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.034 -5.068 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.555 -2.176 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.849 -3.151 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.535 -3.538 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.233 -4.771 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.161 -2.848 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.632 -4.455 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.534 -3.012 -3.626 1.00 0.00 H new ATOM 719 N ILE A 555 -9.771 -3.702 1.302 1.00 0.00 N ATOM 720 CA ILE A 555 -10.069 -4.267 2.615 1.00 0.00 C ATOM 721 C ILE A 555 -11.327 -3.639 3.209 1.00 0.00 C ATOM 722 O ILE A 555 -12.031 -4.269 3.999 1.00 0.00 O ATOM 723 CB ILE A 555 -8.892 -4.095 3.610 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.891 -3.044 3.114 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.192 -5.428 3.838 1.00 0.00 C ATOM 726 CD1 ILE A 555 -7.029 -3.513 1.960 1.00 0.00 C ATOM 0 H ILE A 555 -9.433 -2.740 1.322 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.232 -5.334 2.461 1.00 0.00 H new ATOM 0 HB ILE A 555 -9.303 -3.745 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -8.438 -2.152 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.245 -2.753 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.368 -5.291 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.902 -6.146 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -7.804 -5.802 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.348 -2.714 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -6.453 -4.386 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -7.665 -3.776 1.115 1.00 0.00 H new ATOM 738 N CYS A 556 -11.610 -2.398 2.822 1.00 0.00 N ATOM 739 CA CYS A 556 -12.792 -1.696 3.315 1.00 0.00 C ATOM 740 C CYS A 556 -14.051 -2.197 2.623 1.00 0.00 C ATOM 741 O CYS A 556 -15.167 -1.841 3.001 1.00 0.00 O ATOM 742 CB CYS A 556 -12.639 -0.183 3.108 1.00 0.00 C ATOM 743 SG CYS A 556 -13.431 0.870 4.381 1.00 0.00 S ATOM 0 H CYS A 556 -11.039 -1.859 2.171 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.886 -1.898 4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.576 0.056 3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.056 0.077 2.135 1.00 0.00 H new ATOM 748 N GLY A 557 -13.861 -3.034 1.614 1.00 0.00 N ATOM 749 CA GLY A 557 -14.968 -3.588 0.886 1.00 0.00 C ATOM 750 C GLY A 557 -14.541 -4.812 0.124 1.00 0.00 C ATOM 751 O GLY A 557 -13.844 -5.673 0.661 1.00 0.00 O ATOM 0 H GLY A 557 -12.944 -3.339 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.772 -3.845 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.365 -2.844 0.196 1.00 0.00 H new ATOM 755 N LEU A 558 -14.940 -4.889 -1.128 1.00 0.00 N ATOM 756 CA LEU A 558 -14.583 -6.021 -1.964 1.00 0.00 C ATOM 757 C LEU A 558 -14.538 -5.617 -3.437 1.00 0.00 C ATOM 758 O LEU A 558 -13.713 -6.117 -4.200 1.00 0.00 O ATOM 759 CB LEU A 558 -15.576 -7.167 -1.754 1.00 0.00 C ATOM 760 CG LEU A 558 -16.341 -7.148 -0.423 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.636 -7.936 -0.546 1.00 0.00 C ATOM 762 CD2 LEU A 558 -15.479 -7.704 0.708 1.00 0.00 C ATOM 0 H LEU A 558 -15.512 -4.183 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.588 -6.361 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.300 -7.150 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.035 -8.110 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 558 -16.585 -6.113 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.167 -7.914 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.260 -7.491 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.410 -8.969 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -16.043 -7.680 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.198 -8.732 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -14.580 -7.097 0.812 1.00 0.00 H new ATOM 774 N ARG A 559 -15.429 -4.711 -3.827 1.00 0.00 N ATOM 775 CA ARG A 559 -15.490 -4.241 -5.205 1.00 0.00 C ATOM 776 C ARG A 559 -15.553 -2.716 -5.256 1.00 0.00 C ATOM 777 O ARG A 559 -16.209 -2.142 -6.127 1.00 0.00 O ATOM 778 CB ARG A 559 -16.709 -4.835 -5.910 1.00 0.00 C ATOM 779 CG ARG A 559 -17.945 -4.906 -5.025 1.00 0.00 C ATOM 780 CD ARG A 559 -19.183 -4.425 -5.760 1.00 0.00 C ATOM 781 NE ARG A 559 -19.342 -2.975 -5.675 1.00 0.00 N ATOM 782 CZ ARG A 559 -20.398 -2.316 -6.146 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.391 -2.972 -6.732 1.00 0.00 N ATOM 784 NH2 ARG A 559 -20.462 -0.997 -6.029 1.00 0.00 N ATOM 0 H ARG A 559 -16.119 -4.288 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.585 -4.567 -5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.937 -4.236 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.464 -5.838 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -18.095 -5.932 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.791 -4.298 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.121 -4.722 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.064 -4.911 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 559 -18.600 -2.436 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.348 -3.987 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.198 -2.461 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -19.702 -0.488 -5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.271 -0.492 -6.390 1.00 0.00 H new ATOM 798 N GLN A 560 -14.870 -2.065 -4.317 1.00 0.00 N ATOM 799 CA GLN A 560 -14.850 -0.603 -4.252 1.00 0.00 C ATOM 800 C GLN A 560 -14.563 0.002 -5.623 1.00 0.00 C ATOM 801 O GLN A 560 -13.371 0.190 -5.949 1.00 0.00 O ATOM 802 CB GLN A 560 -13.798 -0.120 -3.244 1.00 0.00 C ATOM 803 CG GLN A 560 -14.108 -0.459 -1.788 1.00 0.00 C ATOM 804 CD GLN A 560 -15.595 -0.514 -1.487 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.178 0.454 -0.997 1.00 0.00 O ATOM 806 NE2 GLN A 560 -16.215 -1.651 -1.781 1.00 0.00 N ATOM 807 OXT GLN A 560 -15.532 0.283 -6.361 1.00 0.00 O ATOM 0 H GLN A 560 -14.323 -2.526 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.836 -0.273 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.835 -0.556 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -13.694 0.961 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.659 -1.422 -1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.641 0.284 -1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.692 -2.427 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.214 -1.748 -1.602 1.00 0.00 H new