USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 588 THR OG1 : rot -109:sc= 0.4 USER MOD Set 1.2: A 590 LYS NZ :NH3+ 174:sc= 0.572 (180deg=0.152) USER MOD Set 2.1: A 564 GLN : amide:sc= 0.115 K(o=1.1,f=0.56) USER MOD Set 2.2: A 568 THR OG1 : rot 75:sc= 0.994 USER MOD Single : A 555 THR OG1 : rot -73:sc= -0.0682 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -0.37 K(o=-0.37,f=-5.2!) USER MOD Single : A 560 LYS NZ :NH3+ -174:sc=-0.000569 (180deg=-0.0441) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 150:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 573 THR OG1 : rot -150:sc= -0.083 USER MOD Single : A 578 LYS NZ :NH3+ 171:sc= -0.0103 (180deg=-0.113) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 589 LYS NZ :NH3+ -106:sc= -0.171 (180deg=-3.53!) USER MOD Single : A 592 CYS SG : rot 69:sc= -0.636! USER MOD Single : A 593 MET CE :methyl -139:sc= 0 (180deg=-0.106) USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 TYR OH : rot 180:sc= 0.317 USER MOD Single : A 597 LYS NZ :NH3+ -130:sc= 0.591 (180deg=0.116) USER MOD Single : A 602 MET CE :methyl -170:sc= -0.177 (180deg=-0.31) USER MOD Single : A 604 LYS NZ :NH3+ -171:sc= -0.0193 (180deg=-0.113) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.445 -9.509 4.679 1.00 0.00 N ATOM 50 CA TRP A 554 -6.928 -10.905 4.702 1.00 0.00 C ATOM 51 C TRP A 554 -7.941 -11.154 3.570 1.00 0.00 C ATOM 52 O TRP A 554 -9.061 -10.624 3.594 1.00 0.00 O ATOM 53 CB TRP A 554 -7.587 -11.257 6.072 1.00 0.00 C ATOM 54 CG TRP A 554 -6.619 -11.514 7.205 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.066 -10.597 8.053 1.00 0.00 C ATOM 56 CD2 TRP A 554 -6.114 -12.793 7.620 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.250 -11.227 8.961 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.253 -12.572 8.707 1.00 0.00 C ATOM 59 CE3 TRP A 554 -6.303 -14.105 7.166 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.585 -13.607 9.352 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.634 -15.134 7.803 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.785 -14.879 8.890 1.00 0.00 C ATOM 0 HA TRP A 554 -6.060 -11.548 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.249 -10.440 6.359 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.211 -12.141 5.941 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.244 -9.532 8.015 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.726 -10.766 9.705 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.960 -14.309 6.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.931 -13.413 10.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.767 -16.149 7.458 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -4.279 -15.703 9.372 1.00 0.00 H new ATOM 73 N THR A 555 -7.511 -11.935 2.577 1.00 0.00 N ATOM 74 CA THR A 555 -8.369 -12.377 1.475 1.00 0.00 C ATOM 75 C THR A 555 -9.110 -13.665 1.873 1.00 0.00 C ATOM 76 O THR A 555 -8.730 -14.327 2.852 1.00 0.00 O ATOM 77 CB THR A 555 -7.536 -12.606 0.173 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.512 -13.576 0.413 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.887 -11.307 -0.328 1.00 0.00 C ATOM 0 H THR A 555 -6.553 -12.280 2.514 1.00 0.00 H new ATOM 0 HA THR A 555 -9.100 -11.594 1.271 1.00 0.00 H new ATOM 0 HB THR A 555 -8.224 -12.963 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.809 -13.179 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 555 -6.317 -11.511 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.663 -10.573 -0.544 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.220 -10.914 0.439 1.00 0.00 H new ATOM 87 N THR A 556 -10.163 -14.017 1.105 1.00 0.00 N ATOM 88 CA THR A 556 -11.008 -15.202 1.371 1.00 0.00 C ATOM 89 C THR A 556 -10.179 -16.502 1.363 1.00 0.00 C ATOM 90 O THR A 556 -10.467 -17.429 2.131 1.00 0.00 O ATOM 91 CB THR A 556 -12.161 -15.296 0.323 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.944 -14.093 0.375 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.094 -16.516 0.526 1.00 0.00 C ATOM 0 H THR A 556 -10.452 -13.488 0.282 1.00 0.00 H new ATOM 0 HA THR A 556 -11.438 -15.083 2.366 1.00 0.00 H new ATOM 0 HB THR A 556 -11.687 -15.424 -0.650 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.669 -14.146 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.869 -16.512 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.513 -17.435 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.557 -16.460 1.511 1.00 0.00 H new ATOM 101 N GLU A 557 -9.127 -16.542 0.508 1.00 0.00 N ATOM 102 CA GLU A 557 -8.229 -17.707 0.418 1.00 0.00 C ATOM 103 C GLU A 557 -7.435 -17.884 1.740 1.00 0.00 C ATOM 104 O GLU A 557 -7.462 -18.957 2.326 1.00 0.00 O ATOM 105 CB GLU A 557 -7.280 -17.615 -0.813 1.00 0.00 C ATOM 106 CG GLU A 557 -6.316 -16.420 -0.812 1.00 0.00 C ATOM 107 CD GLU A 557 -5.320 -16.445 -1.973 1.00 0.00 C ATOM 108 OE1 GLU A 557 -4.281 -17.135 -1.861 1.00 0.00 O ATOM 109 OE2 GLU A 557 -5.562 -15.788 -3.007 1.00 0.00 O ATOM 0 H GLU A 557 -8.885 -15.780 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.846 -18.594 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.694 -18.533 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -7.888 -17.569 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.893 -15.496 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.766 -16.406 0.129 1.00 0.00 H new ATOM 116 N GLU A 558 -6.804 -16.798 2.238 1.00 0.00 N ATOM 117 CA GLU A 558 -5.970 -16.824 3.470 1.00 0.00 C ATOM 118 C GLU A 558 -6.835 -17.093 4.715 1.00 0.00 C ATOM 119 O GLU A 558 -6.383 -17.731 5.676 1.00 0.00 O ATOM 120 CB GLU A 558 -5.212 -15.477 3.615 1.00 0.00 C ATOM 121 CG GLU A 558 -4.303 -15.157 2.415 1.00 0.00 C ATOM 122 CD GLU A 558 -3.693 -13.752 2.476 1.00 0.00 C ATOM 123 OE1 GLU A 558 -4.466 -12.761 2.425 1.00 0.00 O ATOM 124 OE2 GLU A 558 -2.450 -13.622 2.566 1.00 0.00 O ATOM 0 H GLU A 558 -6.855 -15.878 1.801 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.246 -17.635 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.936 -14.672 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.608 -15.504 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.500 -15.893 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -4.879 -15.256 1.495 1.00 0.00 H new ATOM 131 N GLN A 559 -8.088 -16.613 4.649 1.00 0.00 N ATOM 132 CA GLN A 559 -9.103 -16.775 5.701 1.00 0.00 C ATOM 133 C GLN A 559 -9.493 -18.259 5.871 1.00 0.00 C ATOM 134 O GLN A 559 -9.431 -18.794 6.977 1.00 0.00 O ATOM 135 CB GLN A 559 -10.354 -15.910 5.357 1.00 0.00 C ATOM 136 CG GLN A 559 -11.563 -16.063 6.314 1.00 0.00 C ATOM 137 CD GLN A 559 -11.266 -15.691 7.772 1.00 0.00 C ATOM 138 OE1 GLN A 559 -10.421 -14.852 8.051 1.00 0.00 O ATOM 139 NE2 GLN A 559 -11.978 -16.300 8.705 1.00 0.00 N ATOM 0 H GLN A 559 -8.430 -16.089 3.843 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.685 -16.435 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -10.055 -14.862 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.680 -16.161 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -12.380 -15.439 5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.911 -17.095 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -12.676 -16.996 8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -11.829 -16.074 9.689 1.00 0.00 H new ATOM 148 N LYS A 560 -9.866 -18.914 4.744 1.00 0.00 N ATOM 149 CA LYS A 560 -10.340 -20.322 4.750 1.00 0.00 C ATOM 150 C LYS A 560 -9.191 -21.294 5.087 1.00 0.00 C ATOM 151 O LYS A 560 -9.411 -22.325 5.739 1.00 0.00 O ATOM 152 CB LYS A 560 -11.001 -20.692 3.386 1.00 0.00 C ATOM 153 CG LYS A 560 -10.042 -20.723 2.174 1.00 0.00 C ATOM 154 CD LYS A 560 -10.756 -20.950 0.820 1.00 0.00 C ATOM 155 CE LYS A 560 -11.451 -22.321 0.718 1.00 0.00 C ATOM 156 NZ LYS A 560 -10.495 -23.450 0.836 1.00 0.00 N ATOM 0 H LYS A 560 -9.848 -18.489 3.817 1.00 0.00 H new ATOM 0 HA LYS A 560 -11.096 -20.417 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.470 -21.671 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.797 -19.976 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.494 -19.782 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.307 -21.514 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.496 -20.164 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.028 -20.859 0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.204 -22.403 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -11.975 -22.390 -0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -10.993 -24.346 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -9.733 -23.334 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -10.088 -23.462 1.793 1.00 0.00 H new ATOM 170 N LEU A 561 -7.962 -20.935 4.647 1.00 0.00 N ATOM 171 CA LEU A 561 -6.727 -21.694 4.947 1.00 0.00 C ATOM 172 C LEU A 561 -6.445 -21.659 6.450 1.00 0.00 C ATOM 173 O LEU A 561 -6.028 -22.666 7.030 1.00 0.00 O ATOM 174 CB LEU A 561 -5.517 -21.110 4.164 1.00 0.00 C ATOM 175 CG LEU A 561 -5.542 -21.294 2.611 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.420 -20.471 1.932 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.474 -22.787 2.222 1.00 0.00 C ATOM 0 H LEU A 561 -7.800 -20.108 4.072 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.872 -22.728 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.452 -20.044 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.607 -21.570 4.548 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.493 -20.909 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.462 -20.619 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.556 -19.414 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.450 -20.800 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.493 -22.881 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.552 -23.222 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.329 -23.313 2.647 1.00 0.00 H new ATOM 189 N LEU A 562 -6.701 -20.485 7.070 1.00 0.00 N ATOM 190 CA LEU A 562 -6.525 -20.305 8.515 1.00 0.00 C ATOM 191 C LEU A 562 -7.533 -21.166 9.294 1.00 0.00 C ATOM 192 O LEU A 562 -7.131 -21.975 10.112 1.00 0.00 O ATOM 193 CB LEU A 562 -6.667 -18.819 8.940 1.00 0.00 C ATOM 194 CG LEU A 562 -6.386 -18.539 10.457 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.902 -18.783 10.831 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.866 -17.136 10.872 1.00 0.00 C ATOM 0 H LEU A 562 -7.031 -19.651 6.584 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.511 -20.626 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.983 -18.218 8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.677 -18.483 8.704 1.00 0.00 H new ATOM 0 HG LEU A 562 -6.971 -19.259 11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.755 -18.576 11.891 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.640 -19.821 10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.265 -18.124 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.655 -16.977 11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.344 -16.383 10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.939 -17.053 10.700 1.00 0.00 H new ATOM 208 N GLU A 563 -8.835 -21.008 8.980 1.00 0.00 N ATOM 209 CA GLU A 563 -9.948 -21.699 9.682 1.00 0.00 C ATOM 210 C GLU A 563 -9.792 -23.233 9.657 1.00 0.00 C ATOM 211 O GLU A 563 -10.169 -23.925 10.620 1.00 0.00 O ATOM 212 CB GLU A 563 -11.303 -21.292 9.058 1.00 0.00 C ATOM 213 CG GLU A 563 -11.659 -19.802 9.229 1.00 0.00 C ATOM 214 CD GLU A 563 -13.015 -19.446 8.603 1.00 0.00 C ATOM 215 OE1 GLU A 563 -14.056 -19.662 9.263 1.00 0.00 O ATOM 216 OE2 GLU A 563 -13.049 -18.974 7.445 1.00 0.00 O ATOM 0 H GLU A 563 -9.151 -20.395 8.229 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.917 -21.387 10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.286 -21.529 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -12.092 -21.896 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.677 -19.555 10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.880 -19.191 8.773 1.00 0.00 H new ATOM 223 N GLN A 564 -9.233 -23.746 8.544 1.00 0.00 N ATOM 224 CA GLN A 564 -8.871 -25.163 8.409 1.00 0.00 C ATOM 225 C GLN A 564 -7.710 -25.487 9.372 1.00 0.00 C ATOM 226 O GLN A 564 -7.827 -26.378 10.211 1.00 0.00 O ATOM 227 CB GLN A 564 -8.468 -25.499 6.943 1.00 0.00 C ATOM 228 CG GLN A 564 -8.067 -26.980 6.700 1.00 0.00 C ATOM 229 CD GLN A 564 -9.216 -27.978 6.906 1.00 0.00 C ATOM 230 OE1 GLN A 564 -10.380 -27.668 6.654 1.00 0.00 O ATOM 231 NE2 GLN A 564 -8.906 -29.173 7.375 1.00 0.00 N ATOM 0 H GLN A 564 -9.022 -23.188 7.717 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.737 -25.773 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.302 -25.251 6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.634 -24.860 6.655 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.689 -27.081 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.249 -27.239 7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -7.933 -29.405 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -9.639 -29.864 7.536 1.00 0.00 H new ATOM 240 N ALA A 565 -6.626 -24.692 9.266 1.00 0.00 N ATOM 241 CA ALA A 565 -5.350 -24.895 9.997 1.00 0.00 C ATOM 242 C ALA A 565 -5.515 -24.826 11.535 1.00 0.00 C ATOM 243 O ALA A 565 -4.783 -25.476 12.272 1.00 0.00 O ATOM 244 CB ALA A 565 -4.317 -23.855 9.530 1.00 0.00 C ATOM 0 H ALA A 565 -6.609 -23.873 8.658 1.00 0.00 H new ATOM 0 HA ALA A 565 -5.004 -25.902 9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.381 -24.005 10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.143 -23.970 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.694 -22.852 9.731 1.00 0.00 H new ATOM 250 N LEU A 566 -6.487 -24.031 12.002 1.00 0.00 N ATOM 251 CA LEU A 566 -6.776 -23.850 13.442 1.00 0.00 C ATOM 252 C LEU A 566 -7.310 -25.150 14.073 1.00 0.00 C ATOM 253 O LEU A 566 -7.070 -25.429 15.246 1.00 0.00 O ATOM 254 CB LEU A 566 -7.806 -22.702 13.628 1.00 0.00 C ATOM 255 CG LEU A 566 -7.338 -21.289 13.152 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.498 -20.267 13.154 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.129 -20.796 13.975 1.00 0.00 C ATOM 0 H LEU A 566 -7.101 -23.490 11.393 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.846 -23.591 13.949 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.716 -22.964 13.088 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.068 -22.641 14.684 1.00 0.00 H new ATOM 0 HG LEU A 566 -7.009 -21.383 12.117 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.130 -19.298 12.817 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.286 -20.609 12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.897 -20.172 14.164 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.826 -19.811 13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.406 -20.734 15.027 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.300 -21.494 13.858 1.00 0.00 H new ATOM 269 N LYS A 567 -8.034 -25.935 13.266 1.00 0.00 N ATOM 270 CA LYS A 567 -8.652 -27.196 13.703 1.00 0.00 C ATOM 271 C LYS A 567 -7.747 -28.394 13.328 1.00 0.00 C ATOM 272 O LYS A 567 -7.709 -29.397 14.043 1.00 0.00 O ATOM 273 CB LYS A 567 -10.061 -27.321 13.063 1.00 0.00 C ATOM 274 CG LYS A 567 -10.928 -28.463 13.639 1.00 0.00 C ATOM 275 CD LYS A 567 -12.316 -28.553 12.970 1.00 0.00 C ATOM 276 CE LYS A 567 -12.228 -28.897 11.471 1.00 0.00 C ATOM 277 NZ LYS A 567 -13.564 -29.006 10.852 1.00 0.00 N ATOM 0 H LYS A 567 -8.209 -25.713 12.286 1.00 0.00 H new ATOM 0 HA LYS A 567 -8.763 -27.199 14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.591 -26.378 13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -9.946 -27.475 11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.405 -29.411 13.510 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.055 -28.312 14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.912 -29.310 13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.836 -27.603 13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -11.651 -28.129 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -11.692 -29.838 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.461 -29.238 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -14.106 -29.756 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -14.067 -28.101 10.949 1.00 0.00 H new ATOM 291 N THR A 568 -7.008 -28.258 12.206 1.00 0.00 N ATOM 292 CA THR A 568 -6.062 -29.284 11.704 1.00 0.00 C ATOM 293 C THR A 568 -4.844 -29.390 12.650 1.00 0.00 C ATOM 294 O THR A 568 -4.269 -30.472 12.845 1.00 0.00 O ATOM 295 CB THR A 568 -5.601 -28.951 10.235 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.752 -28.872 9.371 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.615 -29.985 9.656 1.00 0.00 C ATOM 0 H THR A 568 -7.050 -27.427 11.616 1.00 0.00 H new ATOM 0 HA THR A 568 -6.573 -30.247 11.683 1.00 0.00 H new ATOM 0 HB THR A 568 -5.079 -27.995 10.284 1.00 0.00 H new ATOM 0 HG1 THR A 568 -7.230 -28.033 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.338 -29.696 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.722 -30.024 10.279 1.00 0.00 H new ATOM 0 HG23 THR A 568 -5.087 -30.967 9.637 1.00 0.00 H new ATOM 305 N TYR A 569 -4.466 -28.245 13.232 1.00 0.00 N ATOM 306 CA TYR A 569 -3.421 -28.148 14.258 1.00 0.00 C ATOM 307 C TYR A 569 -4.113 -27.680 15.548 1.00 0.00 C ATOM 308 O TYR A 569 -4.430 -26.487 15.665 1.00 0.00 O ATOM 309 CB TYR A 569 -2.302 -27.162 13.813 1.00 0.00 C ATOM 310 CG TYR A 569 -1.873 -27.360 12.347 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.384 -28.586 11.898 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.992 -26.331 11.414 1.00 0.00 C ATOM 313 CE1 TYR A 569 -1.034 -28.775 10.576 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.653 -26.519 10.090 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.165 -27.740 9.678 1.00 0.00 C ATOM 316 OH TYR A 569 -0.819 -27.929 8.358 1.00 0.00 O ATOM 0 H TYR A 569 -4.885 -27.345 12.999 1.00 0.00 H new ATOM 0 HA TYR A 569 -2.932 -29.109 14.418 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.652 -26.139 13.948 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.434 -27.290 14.460 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.277 -29.402 12.597 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.357 -25.366 11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.658 -29.733 10.247 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.769 -25.713 9.380 1.00 0.00 H new ATOM 0 HH TYR A 569 -1.372 -27.354 7.789 1.00 0.00 H new ATOM 326 N PRO A 570 -4.448 -28.636 16.490 1.00 0.00 N ATOM 327 CA PRO A 570 -5.151 -28.313 17.758 1.00 0.00 C ATOM 328 C PRO A 570 -4.398 -27.290 18.640 1.00 0.00 C ATOM 329 O PRO A 570 -3.208 -27.026 18.441 1.00 0.00 O ATOM 330 CB PRO A 570 -5.270 -29.695 18.473 1.00 0.00 C ATOM 331 CG PRO A 570 -5.165 -30.705 17.368 1.00 0.00 C ATOM 332 CD PRO A 570 -4.193 -30.105 16.378 1.00 0.00 C ATOM 0 HA PRO A 570 -6.111 -27.833 17.568 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.478 -29.830 19.209 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.217 -29.786 19.004 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -4.805 -31.663 17.743 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -6.136 -30.887 16.907 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.161 -30.354 16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.374 -30.468 15.366 1.00 0.00 H new ATOM 340 N VAL A 571 -5.113 -26.735 19.634 1.00 0.00 N ATOM 341 CA VAL A 571 -4.550 -25.764 20.593 1.00 0.00 C ATOM 342 C VAL A 571 -3.500 -26.434 21.517 1.00 0.00 C ATOM 343 O VAL A 571 -2.605 -25.774 22.052 1.00 0.00 O ATOM 344 CB VAL A 571 -5.688 -25.080 21.449 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.382 -26.093 22.405 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.147 -23.832 22.208 1.00 0.00 C ATOM 0 H VAL A 571 -6.098 -26.946 19.797 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.048 -24.987 20.016 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.455 -24.731 20.758 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.158 -25.582 22.975 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.831 -26.896 21.820 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.644 -26.511 23.090 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.952 -23.382 22.789 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.342 -24.134 22.878 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.768 -23.105 21.490 1.00 0.00 H new ATOM 356 N ASN A 572 -3.615 -27.769 21.664 1.00 0.00 N ATOM 357 CA ASN A 572 -2.680 -28.587 22.461 1.00 0.00 C ATOM 358 C ASN A 572 -1.321 -28.762 21.749 1.00 0.00 C ATOM 359 O ASN A 572 -0.374 -29.284 22.341 1.00 0.00 O ATOM 360 CB ASN A 572 -3.314 -29.969 22.767 1.00 0.00 C ATOM 361 CG ASN A 572 -4.631 -29.906 23.557 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.521 -30.735 23.361 1.00 0.00 O ATOM 363 ND2 ASN A 572 -4.761 -28.954 24.472 1.00 0.00 N ATOM 0 H ASN A 572 -4.362 -28.312 21.231 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.491 -28.062 23.398 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.494 -30.488 21.826 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.597 -30.567 23.329 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -5.612 -28.897 25.032 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -4.010 -28.279 24.616 1.00 0.00 H new ATOM 370 N THR A 573 -1.244 -28.352 20.468 1.00 0.00 N ATOM 371 CA THR A 573 0.005 -28.352 19.697 1.00 0.00 C ATOM 372 C THR A 573 0.848 -27.109 20.090 1.00 0.00 C ATOM 373 O THR A 573 0.400 -25.979 19.865 1.00 0.00 O ATOM 374 CB THR A 573 -0.303 -28.342 18.157 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.223 -29.399 17.840 1.00 0.00 O ATOM 376 CG2 THR A 573 0.966 -28.507 17.300 1.00 0.00 C ATOM 0 H THR A 573 -2.049 -28.012 19.942 1.00 0.00 H new ATOM 0 HA THR A 573 0.570 -29.256 19.924 1.00 0.00 H new ATOM 0 HB THR A 573 -0.738 -27.370 17.924 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.062 -29.709 16.924 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.696 -28.493 16.244 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.655 -27.689 17.509 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.446 -29.456 17.539 1.00 0.00 H new ATOM 384 N PRO A 574 2.080 -27.286 20.684 1.00 0.00 N ATOM 385 CA PRO A 574 2.972 -26.149 21.037 1.00 0.00 C ATOM 386 C PRO A 574 3.613 -25.499 19.787 1.00 0.00 C ATOM 387 O PRO A 574 4.137 -24.382 19.846 1.00 0.00 O ATOM 388 CB PRO A 574 4.040 -26.807 21.950 1.00 0.00 C ATOM 389 CG PRO A 574 4.111 -28.227 21.470 1.00 0.00 C ATOM 390 CD PRO A 574 2.690 -28.593 21.075 1.00 0.00 C ATOM 0 HA PRO A 574 2.438 -25.332 21.522 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.004 -26.307 21.859 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.752 -26.756 23.000 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.791 -28.322 20.623 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.483 -28.888 22.253 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.675 -29.304 20.249 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.151 -29.054 21.903 1.00 0.00 H new ATOM 398 N GLU A 575 3.569 -26.240 18.660 1.00 0.00 N ATOM 399 CA GLU A 575 4.083 -25.796 17.350 1.00 0.00 C ATOM 400 C GLU A 575 2.920 -25.503 16.384 1.00 0.00 C ATOM 401 O GLU A 575 3.112 -25.519 15.166 1.00 0.00 O ATOM 402 CB GLU A 575 5.015 -26.905 16.779 1.00 0.00 C ATOM 403 CG GLU A 575 6.147 -27.321 17.742 1.00 0.00 C ATOM 404 CD GLU A 575 7.013 -28.462 17.195 1.00 0.00 C ATOM 405 OE1 GLU A 575 6.550 -29.620 17.208 1.00 0.00 O ATOM 406 OE2 GLU A 575 8.156 -28.213 16.762 1.00 0.00 O ATOM 0 H GLU A 575 3.169 -27.178 18.636 1.00 0.00 H new ATOM 0 HA GLU A 575 4.650 -24.873 17.469 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.415 -27.782 16.537 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.455 -26.553 15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.780 -26.457 17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.712 -27.627 18.694 1.00 0.00 H new ATOM 413 N ARG A 576 1.727 -25.198 16.961 1.00 0.00 N ATOM 414 CA ARG A 576 0.464 -24.973 16.209 1.00 0.00 C ATOM 415 C ARG A 576 0.662 -23.935 15.100 1.00 0.00 C ATOM 416 O ARG A 576 0.461 -24.219 13.922 1.00 0.00 O ATOM 417 CB ARG A 576 -0.653 -24.469 17.170 1.00 0.00 C ATOM 418 CG ARG A 576 -2.068 -24.391 16.541 1.00 0.00 C ATOM 419 CD ARG A 576 -3.033 -23.550 17.387 1.00 0.00 C ATOM 420 NE ARG A 576 -4.448 -23.774 17.041 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.492 -23.323 17.755 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.311 -22.625 18.875 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.714 -23.602 17.373 1.00 0.00 N ATOM 0 H ARG A 576 1.615 -25.101 17.970 1.00 0.00 H new ATOM 0 HA ARG A 576 0.172 -25.924 15.763 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.692 -25.129 18.036 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.379 -23.479 17.536 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -1.996 -23.963 15.541 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.470 -25.398 16.428 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -2.881 -23.783 18.441 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.796 -22.494 17.257 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.649 -24.311 16.197 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.367 -22.425 19.204 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.117 -22.291 19.404 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.871 -24.161 16.534 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.508 -23.260 17.914 1.00 0.00 H new ATOM 437 N TRP A 577 1.129 -22.752 15.518 1.00 0.00 N ATOM 438 CA TRP A 577 1.284 -21.573 14.655 1.00 0.00 C ATOM 439 C TRP A 577 2.450 -21.743 13.673 1.00 0.00 C ATOM 440 O TRP A 577 2.446 -21.154 12.598 1.00 0.00 O ATOM 441 CB TRP A 577 1.449 -20.311 15.538 1.00 0.00 C ATOM 442 CG TRP A 577 0.286 -20.142 16.491 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.263 -20.406 17.836 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.037 -19.722 16.144 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.986 -20.172 18.338 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.801 -19.748 17.321 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.640 -19.316 14.951 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.142 -19.405 17.339 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -2.973 -18.972 14.971 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.707 -19.018 16.158 1.00 0.00 C ATOM 0 H TRP A 577 1.415 -22.584 16.483 1.00 0.00 H new ATOM 0 HA TRP A 577 0.388 -21.457 14.046 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.377 -20.382 16.105 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.530 -19.429 14.902 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.108 -20.749 18.414 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.266 -20.293 19.311 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.073 -19.273 14.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.719 -19.442 18.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.457 -18.663 14.057 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.750 -18.740 16.141 1.00 0.00 H new ATOM 461 N LYS A 578 3.424 -22.584 14.041 1.00 0.00 N ATOM 462 CA LYS A 578 4.587 -22.912 13.184 1.00 0.00 C ATOM 463 C LYS A 578 4.123 -23.767 11.981 1.00 0.00 C ATOM 464 O LYS A 578 4.675 -23.668 10.880 1.00 0.00 O ATOM 465 CB LYS A 578 5.682 -23.672 13.992 1.00 0.00 C ATOM 466 CG LYS A 578 6.434 -22.844 15.074 1.00 0.00 C ATOM 467 CD LYS A 578 5.553 -22.411 16.273 1.00 0.00 C ATOM 468 CE LYS A 578 6.313 -21.564 17.303 1.00 0.00 C ATOM 469 NZ LYS A 578 6.813 -20.291 16.713 1.00 0.00 N ATOM 0 H LYS A 578 3.435 -23.061 14.942 1.00 0.00 H new ATOM 0 HA LYS A 578 5.022 -21.981 12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.216 -24.529 14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.416 -24.065 13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.272 -23.433 15.448 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.854 -21.953 14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.700 -21.843 15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.156 -23.299 16.764 1.00 0.00 H new ATOM 0 HE2 LYS A 578 5.658 -21.341 18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.153 -22.137 17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.185 -19.681 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.570 -20.498 16.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.033 -19.804 16.227 1.00 0.00 H new ATOM 483 N LYS A 579 3.114 -24.615 12.222 1.00 0.00 N ATOM 484 CA LYS A 579 2.473 -25.437 11.178 1.00 0.00 C ATOM 485 C LYS A 579 1.466 -24.595 10.364 1.00 0.00 C ATOM 486 O LYS A 579 1.261 -24.834 9.172 1.00 0.00 O ATOM 487 CB LYS A 579 1.762 -26.641 11.830 1.00 0.00 C ATOM 488 CG LYS A 579 2.692 -27.559 12.643 1.00 0.00 C ATOM 489 CD LYS A 579 1.944 -28.754 13.266 1.00 0.00 C ATOM 490 CE LYS A 579 2.881 -29.750 13.964 1.00 0.00 C ATOM 491 NZ LYS A 579 2.149 -30.962 14.394 1.00 0.00 N ATOM 0 H LYS A 579 2.715 -24.753 13.150 1.00 0.00 H new ATOM 0 HA LYS A 579 3.241 -25.801 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 579 0.972 -26.272 12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.280 -27.230 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.488 -27.929 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.168 -26.980 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.215 -28.384 13.986 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.387 -29.273 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.688 -30.030 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 579 3.342 -29.274 14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 2.807 -31.617 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 1.395 -30.695 15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 1.730 -31.427 13.564 1.00 0.00 H new ATOM 505 N ILE A 580 0.819 -23.624 11.048 1.00 0.00 N ATOM 506 CA ILE A 580 -0.093 -22.633 10.418 1.00 0.00 C ATOM 507 C ILE A 580 0.701 -21.680 9.496 1.00 0.00 C ATOM 508 O ILE A 580 0.155 -21.119 8.544 1.00 0.00 O ATOM 509 CB ILE A 580 -0.923 -21.853 11.522 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.896 -22.845 12.243 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.696 -20.632 10.957 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.728 -22.274 13.373 1.00 0.00 C ATOM 0 H ILE A 580 0.913 -23.503 12.056 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.814 -23.160 9.793 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.209 -21.448 12.239 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.573 -23.261 11.497 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.308 -23.674 12.637 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.243 -20.143 11.763 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.991 -19.927 10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.398 -20.967 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.360 -23.057 13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.069 -21.886 14.150 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.354 -21.467 12.992 1.00 0.00 H new ATOM 524 N ALA A 581 2.001 -21.502 9.800 1.00 0.00 N ATOM 525 CA ALA A 581 2.968 -20.834 8.895 1.00 0.00 C ATOM 526 C ALA A 581 3.046 -21.549 7.536 1.00 0.00 C ATOM 527 O ALA A 581 3.098 -20.906 6.488 1.00 0.00 O ATOM 528 CB ALA A 581 4.363 -20.750 9.546 1.00 0.00 C ATOM 0 H ALA A 581 2.414 -21.815 10.678 1.00 0.00 H new ATOM 0 HA ALA A 581 2.610 -19.819 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 581 5.054 -20.256 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.298 -20.179 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.724 -21.755 9.764 1.00 0.00 H new ATOM 534 N GLU A 582 3.022 -22.890 7.588 1.00 0.00 N ATOM 535 CA GLU A 582 3.092 -23.762 6.402 1.00 0.00 C ATOM 536 C GLU A 582 1.720 -23.906 5.710 1.00 0.00 C ATOM 537 O GLU A 582 1.641 -24.414 4.593 1.00 0.00 O ATOM 538 CB GLU A 582 3.625 -25.161 6.811 1.00 0.00 C ATOM 539 CG GLU A 582 5.012 -25.149 7.482 1.00 0.00 C ATOM 540 CD GLU A 582 5.490 -26.559 7.869 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.143 -27.032 8.971 1.00 0.00 O ATOM 542 OE2 GLU A 582 6.204 -27.203 7.066 1.00 0.00 O ATOM 0 H GLU A 582 2.953 -23.407 8.465 1.00 0.00 H new ATOM 0 HA GLU A 582 3.774 -23.299 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.910 -25.622 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.671 -25.791 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.736 -24.696 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.975 -24.523 8.374 1.00 0.00 H new ATOM 549 N ALA A 583 0.640 -23.485 6.390 1.00 0.00 N ATOM 550 CA ALA A 583 -0.749 -23.611 5.878 1.00 0.00 C ATOM 551 C ALA A 583 -1.297 -22.264 5.361 1.00 0.00 C ATOM 552 O ALA A 583 -2.167 -22.238 4.485 1.00 0.00 O ATOM 553 CB ALA A 583 -1.663 -24.175 6.980 1.00 0.00 C ATOM 0 H ALA A 583 0.698 -23.047 7.310 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.733 -24.299 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.680 -24.265 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.302 -25.157 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.656 -23.503 7.838 1.00 0.00 H new ATOM 559 N VAL A 584 -0.790 -21.146 5.927 1.00 0.00 N ATOM 560 CA VAL A 584 -1.251 -19.777 5.608 1.00 0.00 C ATOM 561 C VAL A 584 -0.025 -18.915 5.210 1.00 0.00 C ATOM 562 O VAL A 584 0.672 -18.391 6.091 1.00 0.00 O ATOM 563 CB VAL A 584 -2.013 -19.097 6.821 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.644 -17.737 6.409 1.00 0.00 C ATOM 565 CG2 VAL A 584 -3.079 -20.044 7.417 1.00 0.00 C ATOM 0 H VAL A 584 -0.044 -21.169 6.623 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.960 -19.845 4.783 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.273 -18.896 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.158 -17.300 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.860 -17.059 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.357 -17.897 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.583 -19.548 8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.809 -20.299 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.598 -20.953 7.777 1.00 0.00 H new ATOM 575 N PRO A 585 0.307 -18.839 3.880 1.00 0.00 N ATOM 576 CA PRO A 585 1.340 -17.918 3.361 1.00 0.00 C ATOM 577 C PRO A 585 0.778 -16.493 3.140 1.00 0.00 C ATOM 578 O PRO A 585 -0.433 -16.311 2.916 1.00 0.00 O ATOM 579 CB PRO A 585 1.764 -18.594 2.030 1.00 0.00 C ATOM 580 CG PRO A 585 0.526 -19.298 1.545 1.00 0.00 C ATOM 581 CD PRO A 585 -0.283 -19.666 2.784 1.00 0.00 C ATOM 0 HA PRO A 585 2.174 -17.772 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.110 -17.857 1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.583 -19.296 2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.052 -18.653 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.786 -20.189 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.341 -19.445 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.206 -20.730 3.006 1.00 0.00 H new ATOM 589 N GLY A 586 1.671 -15.493 3.239 1.00 0.00 N ATOM 590 CA GLY A 586 1.317 -14.076 3.065 1.00 0.00 C ATOM 591 C GLY A 586 0.963 -13.391 4.380 1.00 0.00 C ATOM 592 O GLY A 586 1.271 -12.205 4.583 1.00 0.00 O ATOM 0 H GLY A 586 2.659 -15.646 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.152 -13.552 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 586 0.472 -13.998 2.381 1.00 0.00 H new ATOM 596 N ARG A 587 0.283 -14.128 5.266 1.00 0.00 N ATOM 597 CA ARG A 587 -0.058 -13.678 6.626 1.00 0.00 C ATOM 598 C ARG A 587 0.919 -14.276 7.624 1.00 0.00 C ATOM 599 O ARG A 587 1.247 -15.466 7.541 1.00 0.00 O ATOM 600 CB ARG A 587 -1.512 -14.086 6.989 1.00 0.00 C ATOM 601 CG ARG A 587 -2.570 -13.484 6.048 1.00 0.00 C ATOM 602 CD ARG A 587 -2.583 -11.938 6.083 1.00 0.00 C ATOM 603 NE ARG A 587 -3.117 -11.381 4.837 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.435 -10.622 3.972 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.214 -10.173 4.249 1.00 0.00 N ATOM 606 NH2 ARG A 587 -2.982 -10.308 2.825 1.00 0.00 N ATOM 0 H ARG A 587 -0.052 -15.069 5.058 1.00 0.00 H new ATOM 0 HA ARG A 587 0.012 -12.591 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -1.593 -15.173 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.725 -13.772 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -2.378 -13.819 5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -3.555 -13.859 6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -3.186 -11.596 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.571 -11.567 6.245 1.00 0.00 H new ATOM 0 HE ARG A 587 -4.089 -11.589 4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -0.775 -10.406 5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -0.717 -9.596 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -3.919 -10.641 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -2.471 -9.730 2.158 1.00 0.00 H new ATOM 620 N THR A 588 1.393 -13.446 8.554 1.00 0.00 N ATOM 621 CA THR A 588 2.269 -13.888 9.639 1.00 0.00 C ATOM 622 C THR A 588 1.442 -14.362 10.838 1.00 0.00 C ATOM 623 O THR A 588 0.221 -14.178 10.888 1.00 0.00 O ATOM 624 CB THR A 588 3.251 -12.751 10.050 1.00 0.00 C ATOM 625 OG1 THR A 588 2.515 -11.566 10.359 1.00 0.00 O ATOM 626 CG2 THR A 588 4.264 -12.444 8.936 1.00 0.00 C ATOM 0 H THR A 588 1.180 -12.449 8.576 1.00 0.00 H new ATOM 0 HA THR A 588 2.862 -14.731 9.283 1.00 0.00 H new ATOM 0 HB THR A 588 3.803 -13.090 10.927 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.661 -10.898 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.931 -11.646 9.261 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.847 -13.339 8.718 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.733 -12.130 8.038 1.00 0.00 H new ATOM 634 N LYS A 589 2.117 -15.001 11.790 1.00 0.00 N ATOM 635 CA LYS A 589 1.457 -15.708 12.894 1.00 0.00 C ATOM 636 C LYS A 589 0.912 -14.743 13.943 1.00 0.00 C ATOM 637 O LYS A 589 -0.058 -15.070 14.606 1.00 0.00 O ATOM 638 CB LYS A 589 2.412 -16.762 13.492 1.00 0.00 C ATOM 639 CG LYS A 589 2.506 -18.102 12.697 1.00 0.00 C ATOM 640 CD LYS A 589 2.645 -17.954 11.144 1.00 0.00 C ATOM 641 CE LYS A 589 1.289 -18.030 10.381 1.00 0.00 C ATOM 642 NZ LYS A 589 1.449 -17.803 8.923 1.00 0.00 N ATOM 0 H LYS A 589 3.136 -15.046 11.822 1.00 0.00 H new ATOM 0 HA LYS A 589 0.588 -16.234 12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.410 -16.328 13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.091 -16.984 14.510 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.361 -18.666 13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.616 -18.694 12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.124 -17.001 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.305 -18.737 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.836 -19.007 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.603 -17.287 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.095 -16.856 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.455 -17.873 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.909 -18.521 8.399 1.00 0.00 H new ATOM 656 N LYS A 590 1.517 -13.547 14.055 1.00 0.00 N ATOM 657 CA LYS A 590 0.986 -12.445 14.881 1.00 0.00 C ATOM 658 C LYS A 590 -0.404 -12.014 14.347 1.00 0.00 C ATOM 659 O LYS A 590 -1.312 -11.716 15.124 1.00 0.00 O ATOM 660 CB LYS A 590 1.979 -11.244 14.887 1.00 0.00 C ATOM 661 CG LYS A 590 2.383 -10.744 13.479 1.00 0.00 C ATOM 662 CD LYS A 590 3.295 -9.493 13.501 1.00 0.00 C ATOM 663 CE LYS A 590 3.776 -9.094 12.092 1.00 0.00 C ATOM 664 NZ LYS A 590 2.644 -8.812 11.170 1.00 0.00 N ATOM 0 H LYS A 590 2.387 -13.316 13.576 1.00 0.00 H new ATOM 0 HA LYS A 590 0.872 -12.790 15.909 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.529 -10.418 15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.879 -11.535 15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.896 -11.548 12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.481 -10.515 12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.753 -8.659 13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 590 4.159 -9.688 14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 590 4.412 -8.212 12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.388 -9.896 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 3.013 -8.451 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 2.109 -9.687 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 2.017 -8.101 11.597 1.00 0.00 H new ATOM 678 N ASP A 591 -0.548 -12.037 13.001 1.00 0.00 N ATOM 679 CA ASP A 591 -1.818 -11.730 12.307 1.00 0.00 C ATOM 680 C ASP A 591 -2.826 -12.856 12.557 1.00 0.00 C ATOM 681 O ASP A 591 -3.992 -12.604 12.837 1.00 0.00 O ATOM 682 CB ASP A 591 -1.609 -11.575 10.765 1.00 0.00 C ATOM 683 CG ASP A 591 -0.491 -10.606 10.338 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.079 -9.737 11.136 1.00 0.00 O ATOM 685 OD2 ASP A 591 -0.007 -10.727 9.186 1.00 0.00 O ATOM 0 H ASP A 591 0.216 -12.270 12.366 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.192 -10.786 12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.393 -12.558 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.546 -11.238 10.322 1.00 0.00 H new ATOM 690 N CYS A 592 -2.324 -14.103 12.451 1.00 0.00 N ATOM 691 CA CYS A 592 -3.128 -15.330 12.563 1.00 0.00 C ATOM 692 C CYS A 592 -3.665 -15.550 13.992 1.00 0.00 C ATOM 693 O CYS A 592 -4.764 -16.079 14.156 1.00 0.00 O ATOM 694 CB CYS A 592 -2.291 -16.542 12.106 1.00 0.00 C ATOM 695 SG CYS A 592 -1.752 -16.430 10.390 1.00 0.00 S ATOM 0 H CYS A 592 -1.335 -14.285 12.283 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.996 -15.219 11.914 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.416 -16.634 12.749 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.879 -17.451 12.236 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.871 -15.481 10.273 1.00 0.00 H new ATOM 701 N MET A 593 -2.884 -15.140 15.019 1.00 0.00 N ATOM 702 CA MET A 593 -3.279 -15.273 16.450 1.00 0.00 C ATOM 703 C MET A 593 -4.407 -14.301 16.778 1.00 0.00 C ATOM 704 O MET A 593 -5.391 -14.682 17.411 1.00 0.00 O ATOM 705 CB MET A 593 -2.088 -15.010 17.415 1.00 0.00 C ATOM 706 CG MET A 593 -0.970 -16.045 17.365 1.00 0.00 C ATOM 707 SD MET A 593 0.447 -15.555 18.368 1.00 0.00 S ATOM 708 CE MET A 593 1.706 -16.647 17.724 1.00 0.00 C ATOM 0 H MET A 593 -1.969 -14.710 14.886 1.00 0.00 H new ATOM 0 HA MET A 593 -3.613 -16.301 16.593 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.666 -14.031 17.187 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.471 -14.962 18.434 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.348 -17.005 17.716 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.652 -16.186 16.332 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.312 -17.028 18.546 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.234 -17.481 17.205 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.341 -16.099 17.028 1.00 0.00 H new ATOM 718 N LYS A 594 -4.245 -13.042 16.334 1.00 0.00 N ATOM 719 CA LYS A 594 -5.234 -11.981 16.564 1.00 0.00 C ATOM 720 C LYS A 594 -6.527 -12.274 15.789 1.00 0.00 C ATOM 721 O LYS A 594 -7.615 -12.087 16.314 1.00 0.00 O ATOM 722 CB LYS A 594 -4.668 -10.593 16.169 1.00 0.00 C ATOM 723 CG LYS A 594 -3.425 -10.164 16.987 1.00 0.00 C ATOM 724 CD LYS A 594 -2.999 -8.701 16.723 1.00 0.00 C ATOM 725 CE LYS A 594 -4.070 -7.681 17.158 1.00 0.00 C ATOM 726 NZ LYS A 594 -3.630 -6.283 16.940 1.00 0.00 N ATOM 0 H LYS A 594 -3.427 -12.735 15.808 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.463 -11.960 17.630 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.407 -10.606 15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.450 -9.844 16.295 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -3.636 -10.288 18.049 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -2.594 -10.827 16.747 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -2.070 -8.496 17.255 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -2.792 -8.573 15.660 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -4.990 -7.862 16.601 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -4.302 -7.827 18.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -4.380 -5.631 17.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -2.767 -6.101 17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -3.433 -6.134 15.930 1.00 0.00 H new ATOM 740 N ARG A 595 -6.376 -12.788 14.554 1.00 0.00 N ATOM 741 CA ARG A 595 -7.510 -13.137 13.678 1.00 0.00 C ATOM 742 C ARG A 595 -8.336 -14.281 14.307 1.00 0.00 C ATOM 743 O ARG A 595 -9.543 -14.154 14.469 1.00 0.00 O ATOM 744 CB ARG A 595 -6.994 -13.543 12.272 1.00 0.00 C ATOM 745 CG ARG A 595 -8.090 -13.744 11.202 1.00 0.00 C ATOM 746 CD ARG A 595 -8.864 -12.451 10.896 1.00 0.00 C ATOM 747 NE ARG A 595 -9.850 -12.648 9.824 1.00 0.00 N ATOM 748 CZ ARG A 595 -10.798 -11.774 9.461 1.00 0.00 C ATOM 749 NH1 ARG A 595 -10.926 -10.609 10.091 1.00 0.00 N ATOM 750 NH2 ARG A 595 -11.614 -12.073 8.459 1.00 0.00 N ATOM 0 H ARG A 595 -5.464 -12.973 14.135 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.155 -12.265 13.570 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.302 -12.777 11.921 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.425 -14.468 12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -7.633 -14.115 10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.788 -14.509 11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.371 -12.108 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.164 -11.668 10.607 1.00 0.00 H new ATOM 0 HE ARG A 595 -9.809 -13.529 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.298 -10.373 10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.652 -9.952 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -11.517 -12.963 7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -12.338 -11.413 8.177 1.00 0.00 H new ATOM 764 N TYR A 596 -7.628 -15.364 14.691 1.00 0.00 N ATOM 765 CA TYR A 596 -8.181 -16.528 15.438 1.00 0.00 C ATOM 766 C TYR A 596 -8.910 -16.092 16.713 1.00 0.00 C ATOM 767 O TYR A 596 -10.012 -16.556 16.986 1.00 0.00 O ATOM 768 CB TYR A 596 -7.019 -17.499 15.777 1.00 0.00 C ATOM 769 CG TYR A 596 -7.266 -18.516 16.911 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.124 -19.597 16.740 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.605 -18.401 18.141 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.326 -20.517 17.741 1.00 0.00 C ATOM 773 CE2 TYR A 596 -6.799 -19.327 19.146 1.00 0.00 C ATOM 774 CZ TYR A 596 -7.659 -20.385 18.941 1.00 0.00 C ATOM 775 OH TYR A 596 -7.843 -21.321 19.939 1.00 0.00 O ATOM 0 H TYR A 596 -6.633 -15.462 14.489 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.917 -17.031 14.811 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.766 -18.054 14.873 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.145 -16.903 16.040 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.643 -19.716 15.800 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -5.932 -17.573 18.306 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.006 -21.342 17.588 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.280 -19.223 20.088 1.00 0.00 H new ATOM 0 HH TYR A 596 -7.299 -21.080 20.718 1.00 0.00 H new ATOM 785 N LYS A 597 -8.265 -15.191 17.466 1.00 0.00 N ATOM 786 CA LYS A 597 -8.803 -14.621 18.714 1.00 0.00 C ATOM 787 C LYS A 597 -10.179 -13.991 18.463 1.00 0.00 C ATOM 788 O LYS A 597 -11.153 -14.333 19.136 1.00 0.00 O ATOM 789 CB LYS A 597 -7.812 -13.568 19.261 1.00 0.00 C ATOM 790 CG LYS A 597 -8.283 -12.775 20.500 1.00 0.00 C ATOM 791 CD LYS A 597 -7.267 -11.685 20.907 1.00 0.00 C ATOM 792 CE LYS A 597 -7.809 -10.734 21.980 1.00 0.00 C ATOM 793 NZ LYS A 597 -9.012 -10.005 21.507 1.00 0.00 N ATOM 0 H LYS A 597 -7.342 -14.831 17.224 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.926 -15.414 19.452 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.878 -14.072 19.510 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.589 -12.859 18.464 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.247 -12.312 20.290 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.434 -13.460 21.334 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.359 -12.162 21.277 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -6.988 -11.108 20.025 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.056 -11.301 22.878 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.035 -10.018 22.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.893 -8.987 21.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -9.137 -10.166 20.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -9.850 -10.350 22.017 1.00 0.00 H new ATOM 807 N GLU A 598 -10.247 -13.138 17.422 1.00 0.00 N ATOM 808 CA GLU A 598 -11.483 -12.451 17.037 1.00 0.00 C ATOM 809 C GLU A 598 -12.550 -13.458 16.566 1.00 0.00 C ATOM 810 O GLU A 598 -13.710 -13.315 16.916 1.00 0.00 O ATOM 811 CB GLU A 598 -11.227 -11.394 15.930 1.00 0.00 C ATOM 812 CG GLU A 598 -10.167 -10.328 16.278 1.00 0.00 C ATOM 813 CD GLU A 598 -10.381 -9.657 17.643 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.236 -8.755 17.737 1.00 0.00 O ATOM 815 OE2 GLU A 598 -9.688 -10.019 18.623 1.00 0.00 O ATOM 0 H GLU A 598 -9.448 -12.911 16.831 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.853 -11.934 17.923 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.917 -11.910 15.021 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.167 -10.890 15.706 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.181 -10.792 16.264 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.170 -9.561 15.503 1.00 0.00 H new ATOM 822 N LEU A 599 -12.129 -14.498 15.803 1.00 0.00 N ATOM 823 CA LEU A 599 -13.038 -15.566 15.304 1.00 0.00 C ATOM 824 C LEU A 599 -13.742 -16.273 16.481 1.00 0.00 C ATOM 825 O LEU A 599 -14.966 -16.470 16.467 1.00 0.00 O ATOM 826 CB LEU A 599 -12.258 -16.621 14.455 1.00 0.00 C ATOM 827 CG LEU A 599 -11.615 -16.120 13.117 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.803 -17.242 12.423 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.674 -15.525 12.167 1.00 0.00 C ATOM 0 H LEU A 599 -11.158 -14.621 15.517 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.786 -15.090 14.669 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.466 -17.038 15.077 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.940 -17.437 14.218 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.919 -15.321 13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.371 -16.860 11.498 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.005 -17.576 13.085 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.461 -18.081 12.196 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.191 -15.188 11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.417 -16.286 11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.163 -14.680 12.651 1.00 0.00 H new ATOM 841 N VAL A 600 -12.941 -16.593 17.512 1.00 0.00 N ATOM 842 CA VAL A 600 -13.393 -17.321 18.704 1.00 0.00 C ATOM 843 C VAL A 600 -14.316 -16.439 19.575 1.00 0.00 C ATOM 844 O VAL A 600 -15.346 -16.899 20.048 1.00 0.00 O ATOM 845 CB VAL A 600 -12.167 -17.866 19.536 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.613 -18.552 20.846 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.325 -18.842 18.679 1.00 0.00 C ATOM 0 H VAL A 600 -11.951 -16.349 17.539 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.974 -18.181 18.372 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.553 -17.008 19.810 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.737 -18.911 21.385 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.152 -17.836 21.466 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.265 -19.393 20.612 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.484 -19.209 19.267 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -11.946 -19.683 18.370 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -10.952 -18.322 17.796 1.00 0.00 H new ATOM 857 N GLU A 601 -13.972 -15.154 19.729 1.00 0.00 N ATOM 858 CA GLU A 601 -14.744 -14.216 20.580 1.00 0.00 C ATOM 859 C GLU A 601 -16.063 -13.781 19.904 1.00 0.00 C ATOM 860 O GLU A 601 -17.048 -13.510 20.593 1.00 0.00 O ATOM 861 CB GLU A 601 -13.886 -12.978 20.923 1.00 0.00 C ATOM 862 CG GLU A 601 -12.592 -13.283 21.713 1.00 0.00 C ATOM 863 CD GLU A 601 -11.683 -12.053 21.899 1.00 0.00 C ATOM 864 OE1 GLU A 601 -11.583 -11.229 20.964 1.00 0.00 O ATOM 865 OE2 GLU A 601 -11.042 -11.908 22.967 1.00 0.00 O ATOM 0 H GLU A 601 -13.162 -14.731 19.276 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.003 -14.741 21.500 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.618 -12.471 19.996 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.493 -12.282 21.502 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.858 -13.680 22.693 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.034 -14.063 21.194 1.00 0.00 H new ATOM 872 N MET A 602 -16.069 -13.710 18.555 1.00 0.00 N ATOM 873 CA MET A 602 -17.280 -13.368 17.770 1.00 0.00 C ATOM 874 C MET A 602 -18.271 -14.541 17.756 1.00 0.00 C ATOM 875 O MET A 602 -19.487 -14.332 17.783 1.00 0.00 O ATOM 876 CB MET A 602 -16.932 -12.968 16.306 1.00 0.00 C ATOM 877 CG MET A 602 -16.211 -11.618 16.142 1.00 0.00 C ATOM 878 SD MET A 602 -15.975 -11.167 14.405 1.00 0.00 S ATOM 879 CE MET A 602 -14.982 -12.528 13.766 1.00 0.00 C ATOM 0 H MET A 602 -15.244 -13.886 17.982 1.00 0.00 H new ATOM 0 HA MET A 602 -17.740 -12.509 18.259 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.307 -13.749 15.873 1.00 0.00 H new ATOM 0 HB3 MET A 602 -17.855 -12.940 15.726 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.787 -10.839 16.642 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.241 -11.665 16.637 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.625 -12.280 12.766 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.130 -12.697 14.424 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.590 -13.432 13.721 1.00 0.00 H new ATOM 889 N VAL A 603 -17.741 -15.781 17.705 1.00 0.00 N ATOM 890 CA VAL A 603 -18.580 -16.989 17.728 1.00 0.00 C ATOM 891 C VAL A 603 -19.089 -17.248 19.166 1.00 0.00 C ATOM 892 O VAL A 603 -20.141 -17.856 19.342 1.00 0.00 O ATOM 893 CB VAL A 603 -17.835 -18.248 17.122 1.00 0.00 C ATOM 894 CG1 VAL A 603 -16.762 -18.827 18.072 1.00 0.00 C ATOM 895 CG2 VAL A 603 -18.832 -19.341 16.673 1.00 0.00 C ATOM 0 H VAL A 603 -16.740 -15.968 17.648 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.443 -16.818 17.084 1.00 0.00 H new ATOM 0 HB VAL A 603 -17.308 -17.890 16.238 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -16.286 -19.688 17.602 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -16.011 -18.065 18.280 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.232 -19.137 19.005 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -18.283 -20.188 16.263 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -19.421 -19.670 17.529 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -19.497 -18.936 15.910 1.00 0.00 H new ATOM 905 N LYS A 604 -18.332 -16.752 20.183 1.00 0.00 N ATOM 906 CA LYS A 604 -18.783 -16.709 21.600 1.00 0.00 C ATOM 907 C LYS A 604 -19.889 -15.659 21.783 1.00 0.00 C ATOM 908 O LYS A 604 -20.811 -15.863 22.572 1.00 0.00 O ATOM 909 CB LYS A 604 -17.615 -16.357 22.570 1.00 0.00 C ATOM 910 CG LYS A 604 -16.580 -17.476 22.803 1.00 0.00 C ATOM 911 CD LYS A 604 -15.443 -17.019 23.749 1.00 0.00 C ATOM 912 CE LYS A 604 -14.388 -18.107 23.992 1.00 0.00 C ATOM 913 NZ LYS A 604 -14.985 -19.351 24.533 1.00 0.00 N ATOM 0 H LYS A 604 -17.396 -16.372 20.043 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.159 -17.704 21.838 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.095 -15.482 22.181 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.040 -16.074 23.533 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.077 -18.348 23.227 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.156 -17.784 21.847 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.958 -16.139 23.326 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.872 -16.718 24.705 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -13.874 -18.329 23.057 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -13.636 -17.734 24.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -14.228 -20.001 24.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -15.580 -19.122 25.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -15.567 -19.804 23.800 1.00 0.00 H new ATOM 927 N ALA A 605 -19.763 -14.526 21.060 1.00 0.00 N ATOM 928 CA ALA A 605 -20.724 -13.405 21.125 1.00 0.00 C ATOM 929 C ALA A 605 -22.102 -13.854 20.612 1.00 0.00 C ATOM 930 O ALA A 605 -23.132 -13.629 21.267 1.00 0.00 O ATOM 931 CB ALA A 605 -20.195 -12.206 20.313 1.00 0.00 C ATOM 0 H ALA A 605 -18.991 -14.363 20.414 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.835 -13.092 22.163 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.911 -11.386 20.367 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.239 -11.882 20.724 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -20.061 -12.502 19.273 1.00 0.00 H new ATOM 937 N LYS A 606 -22.094 -14.532 19.451 1.00 0.00 N ATOM 938 CA LYS A 606 -23.310 -15.107 18.856 1.00 0.00 C ATOM 939 C LYS A 606 -23.824 -16.291 19.690 1.00 0.00 C ATOM 940 O LYS A 606 -25.029 -16.429 19.866 1.00 0.00 O ATOM 941 CB LYS A 606 -23.066 -15.547 17.395 1.00 0.00 C ATOM 942 CG LYS A 606 -22.714 -14.390 16.437 1.00 0.00 C ATOM 943 CD LYS A 606 -22.615 -14.861 14.973 1.00 0.00 C ATOM 944 CE LYS A 606 -22.245 -13.729 14.006 1.00 0.00 C ATOM 945 NZ LYS A 606 -22.210 -14.207 12.602 1.00 0.00 N ATOM 0 H LYS A 606 -21.249 -14.695 18.903 1.00 0.00 H new ATOM 0 HA LYS A 606 -24.072 -14.328 18.854 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.257 -16.277 17.378 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.959 -16.051 17.025 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.472 -13.611 16.516 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.766 -13.945 16.739 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -21.869 -15.652 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -23.569 -15.294 14.670 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -22.968 -12.919 14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.272 -13.320 14.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -21.957 -13.418 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -21.502 -14.964 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -23.146 -14.575 12.337 1.00 0.00 H new ATOM 959 N LYS A 607 -22.891 -17.118 20.217 1.00 0.00 N ATOM 960 CA LYS A 607 -23.229 -18.244 21.120 1.00 0.00 C ATOM 961 C LYS A 607 -23.996 -17.735 22.348 1.00 0.00 C ATOM 962 O LYS A 607 -24.991 -18.316 22.719 1.00 0.00 O ATOM 963 CB LYS A 607 -21.950 -19.006 21.569 1.00 0.00 C ATOM 964 CG LYS A 607 -22.160 -20.103 22.647 1.00 0.00 C ATOM 965 CD LYS A 607 -20.829 -20.765 23.081 1.00 0.00 C ATOM 966 CE LYS A 607 -20.978 -21.631 24.349 1.00 0.00 C ATOM 967 NZ LYS A 607 -21.923 -22.765 24.174 1.00 0.00 N ATOM 0 H LYS A 607 -21.892 -17.026 20.031 1.00 0.00 H new ATOM 0 HA LYS A 607 -23.864 -18.937 20.567 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.498 -19.468 20.691 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.233 -18.280 21.952 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -22.646 -19.664 23.519 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -22.833 -20.867 22.258 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -20.453 -21.384 22.266 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -20.085 -19.989 23.262 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -20.000 -22.021 24.632 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -21.321 -21.004 25.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -21.980 -23.309 25.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -22.865 -22.397 23.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -21.585 -23.383 23.409 1.00 0.00 H new ATOM 981 N ALA A 608 -23.542 -16.604 22.913 1.00 0.00 N ATOM 982 CA ALA A 608 -24.139 -15.996 24.117 1.00 0.00 C ATOM 983 C ALA A 608 -25.595 -15.578 23.850 1.00 0.00 C ATOM 984 O ALA A 608 -26.499 -15.954 24.599 1.00 0.00 O ATOM 985 CB ALA A 608 -23.301 -14.792 24.578 1.00 0.00 C ATOM 0 H ALA A 608 -22.746 -16.082 22.546 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.143 -16.739 24.915 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.753 -14.353 25.467 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.288 -15.121 24.811 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.267 -14.047 23.783 1.00 0.00 H new