USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=18 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 589 LYS NZ :NH3+ -150:sc= 0.713 (180deg=-2.55!) USER MOD Set 1.2: A 592 CYS SG : rot 61:sc= 1.14 USER MOD Single : A 555 THR OG1 : rot -85:sc= 0.287 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= 0.599 K(o=0.6,f=-5.2!) USER MOD Single : A 560 LYS NZ :NH3+ 137:sc= -0.684 (180deg=-2.83!) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 573 THR OG1 : rot 86:sc=-0.00251 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ -125:sc= 0.242 (180deg=0) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 590 LYS NZ :NH3+ -115:sc= 0.66 (180deg=0.161) USER MOD Single : A 593 MET CE :methyl -128:sc= 0 (180deg=-0.461) USER MOD Single : A 594 LYS NZ :NH3+ 173:sc=-0.00209 (180deg=-0.056) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.516) USER MOD Single : A 602 MET CE :methyl -174:sc= -0.654 (180deg=-0.748) USER MOD Single : A 604 LYS NZ :NH3+ -166:sc= 0.788 (180deg=0.583) USER MOD Single : A 606 LYS NZ :NH3+ -144:sc= -0.951 (180deg=-2.64!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -7.431 -10.299 5.358 1.00 0.00 N ATOM 50 CA TRP A 554 -7.590 -11.759 5.189 1.00 0.00 C ATOM 51 C TRP A 554 -8.631 -12.060 4.093 1.00 0.00 C ATOM 52 O TRP A 554 -9.842 -12.003 4.339 1.00 0.00 O ATOM 53 CB TRP A 554 -7.988 -12.427 6.535 1.00 0.00 C ATOM 54 CG TRP A 554 -6.873 -12.475 7.563 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.488 -11.486 8.431 1.00 0.00 C ATOM 56 CD2 TRP A 554 -6.004 -13.588 7.824 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.447 -11.924 9.216 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.129 -13.207 8.856 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.892 -14.872 7.285 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.153 -14.066 9.363 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.920 -15.719 7.779 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.063 -15.316 8.809 1.00 0.00 C ATOM 0 HA TRP A 554 -6.634 -12.180 4.877 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.834 -11.886 6.959 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.327 -13.444 6.336 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.937 -10.505 8.490 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.987 -11.382 9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.554 -15.196 6.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.494 -13.757 10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.819 -16.711 7.363 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.315 -16.004 9.175 1.00 0.00 H new ATOM 73 N THR A 555 -8.129 -12.324 2.871 1.00 0.00 N ATOM 74 CA THR A 555 -8.967 -12.594 1.692 1.00 0.00 C ATOM 75 C THR A 555 -9.664 -13.961 1.810 1.00 0.00 C ATOM 76 O THR A 555 -9.318 -14.756 2.682 1.00 0.00 O ATOM 77 CB THR A 555 -8.123 -12.536 0.378 1.00 0.00 C ATOM 78 OG1 THR A 555 -7.107 -13.550 0.396 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.459 -11.167 0.185 1.00 0.00 C ATOM 0 H THR A 555 -7.128 -12.356 2.676 1.00 0.00 H new ATOM 0 HA THR A 555 -9.731 -11.817 1.649 1.00 0.00 H new ATOM 0 HB THR A 555 -8.808 -12.706 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 555 -6.317 -13.214 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 555 -6.882 -11.170 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.226 -10.395 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.796 -10.962 1.026 1.00 0.00 H new ATOM 87 N THR A 556 -10.625 -14.221 0.908 1.00 0.00 N ATOM 88 CA THR A 556 -11.490 -15.416 0.951 1.00 0.00 C ATOM 89 C THR A 556 -10.668 -16.731 1.011 1.00 0.00 C ATOM 90 O THR A 556 -10.974 -17.629 1.799 1.00 0.00 O ATOM 91 CB THR A 556 -12.436 -15.419 -0.286 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.093 -14.148 -0.378 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.496 -16.535 -0.236 1.00 0.00 C ATOM 0 H THR A 556 -10.826 -13.604 0.121 1.00 0.00 H new ATOM 0 HA THR A 556 -12.082 -15.370 1.865 1.00 0.00 H new ATOM 0 HB THR A 556 -11.816 -15.607 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.689 -14.143 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.123 -16.482 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 556 -13.001 -17.505 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 556 -14.116 -16.409 0.652 1.00 0.00 H new ATOM 101 N GLU A 557 -9.595 -16.796 0.206 1.00 0.00 N ATOM 102 CA GLU A 557 -8.682 -17.958 0.162 1.00 0.00 C ATOM 103 C GLU A 557 -7.869 -18.072 1.475 1.00 0.00 C ATOM 104 O GLU A 557 -7.940 -19.100 2.150 1.00 0.00 O ATOM 105 CB GLU A 557 -7.735 -17.924 -1.092 1.00 0.00 C ATOM 106 CG GLU A 557 -7.008 -16.577 -1.378 1.00 0.00 C ATOM 107 CD GLU A 557 -7.755 -15.654 -2.369 1.00 0.00 C ATOM 108 OE1 GLU A 557 -8.714 -14.969 -1.964 1.00 0.00 O ATOM 109 OE2 GLU A 557 -7.379 -15.616 -3.563 1.00 0.00 O ATOM 0 H GLU A 557 -9.333 -16.046 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.301 -18.850 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.979 -18.700 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.323 -18.187 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.869 -16.045 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.015 -16.789 -1.774 1.00 0.00 H new ATOM 116 N GLU A 558 -7.164 -16.980 1.856 1.00 0.00 N ATOM 117 CA GLU A 558 -6.222 -16.966 3.013 1.00 0.00 C ATOM 118 C GLU A 558 -6.942 -17.261 4.342 1.00 0.00 C ATOM 119 O GLU A 558 -6.397 -17.929 5.229 1.00 0.00 O ATOM 120 CB GLU A 558 -5.503 -15.594 3.111 1.00 0.00 C ATOM 121 CG GLU A 558 -4.672 -15.213 1.876 1.00 0.00 C ATOM 122 CD GLU A 558 -3.934 -13.877 2.065 1.00 0.00 C ATOM 123 OE1 GLU A 558 -4.547 -12.808 1.848 1.00 0.00 O ATOM 124 OE2 GLU A 558 -2.749 -13.890 2.460 1.00 0.00 O ATOM 0 H GLU A 558 -7.228 -16.083 1.374 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.489 -17.754 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -6.250 -14.819 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.849 -15.604 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.947 -16.001 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -5.326 -15.146 1.006 1.00 0.00 H new ATOM 131 N GLN A 559 -8.178 -16.756 4.442 1.00 0.00 N ATOM 132 CA GLN A 559 -9.022 -16.897 5.636 1.00 0.00 C ATOM 133 C GLN A 559 -9.421 -18.364 5.841 1.00 0.00 C ATOM 134 O GLN A 559 -9.299 -18.887 6.942 1.00 0.00 O ATOM 135 CB GLN A 559 -10.289 -16.004 5.514 1.00 0.00 C ATOM 136 CG GLN A 559 -11.235 -16.039 6.733 1.00 0.00 C ATOM 137 CD GLN A 559 -10.590 -15.499 8.016 1.00 0.00 C ATOM 138 OE1 GLN A 559 -10.638 -14.308 8.282 1.00 0.00 O ATOM 139 NE2 GLN A 559 -9.988 -16.371 8.814 1.00 0.00 N ATOM 0 H GLN A 559 -8.625 -16.233 3.689 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.449 -16.570 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.974 -14.974 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.848 -16.313 4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -12.127 -15.454 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.561 -17.065 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -9.965 -17.360 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -9.548 -16.053 9.678 1.00 0.00 H new ATOM 148 N LYS A 560 -9.873 -19.021 4.757 1.00 0.00 N ATOM 149 CA LYS A 560 -10.319 -20.431 4.806 1.00 0.00 C ATOM 150 C LYS A 560 -9.131 -21.394 5.002 1.00 0.00 C ATOM 151 O LYS A 560 -9.284 -22.441 5.641 1.00 0.00 O ATOM 152 CB LYS A 560 -11.127 -20.805 3.537 1.00 0.00 C ATOM 153 CG LYS A 560 -12.464 -20.046 3.392 1.00 0.00 C ATOM 154 CD LYS A 560 -13.337 -20.525 2.196 1.00 0.00 C ATOM 155 CE LYS A 560 -12.759 -20.184 0.799 1.00 0.00 C ATOM 156 NZ LYS A 560 -11.549 -20.975 0.445 1.00 0.00 N ATOM 0 H LYS A 560 -9.940 -18.598 3.831 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.976 -20.535 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -10.513 -20.608 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.330 -21.876 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -13.035 -20.158 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -12.255 -18.983 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -13.467 -21.605 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -14.327 -20.078 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -13.528 -20.355 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.511 -19.123 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -11.618 -21.291 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -10.701 -20.384 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -11.481 -21.804 1.069 1.00 0.00 H new ATOM 170 N LEU A 561 -7.954 -21.022 4.458 1.00 0.00 N ATOM 171 CA LEU A 561 -6.686 -21.753 4.701 1.00 0.00 C ATOM 172 C LEU A 561 -6.328 -21.699 6.199 1.00 0.00 C ATOM 173 O LEU A 561 -5.808 -22.676 6.759 1.00 0.00 O ATOM 174 CB LEU A 561 -5.527 -21.171 3.836 1.00 0.00 C ATOM 175 CG LEU A 561 -5.662 -21.352 2.285 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.555 -20.582 1.531 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.669 -22.850 1.891 1.00 0.00 C ATOM 0 H LEU A 561 -7.852 -20.215 3.843 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.826 -22.794 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.441 -20.106 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.594 -21.636 4.155 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.621 -20.928 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.677 -20.728 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.628 -19.520 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.578 -20.954 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.764 -22.941 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.738 -23.316 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.510 -23.349 2.372 1.00 0.00 H new ATOM 189 N LEU A 562 -6.642 -20.549 6.838 1.00 0.00 N ATOM 190 CA LEU A 562 -6.465 -20.372 8.290 1.00 0.00 C ATOM 191 C LEU A 562 -7.471 -21.252 9.056 1.00 0.00 C ATOM 192 O LEU A 562 -7.077 -21.952 9.967 1.00 0.00 O ATOM 193 CB LEU A 562 -6.606 -18.878 8.715 1.00 0.00 C ATOM 194 CG LEU A 562 -6.358 -18.578 10.238 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.881 -18.791 10.643 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.853 -17.173 10.645 1.00 0.00 C ATOM 0 H LEU A 562 -7.021 -19.729 6.365 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.452 -20.685 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.906 -18.284 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.608 -18.538 8.455 1.00 0.00 H new ATOM 0 HG LEU A 562 -6.954 -19.304 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.759 -18.571 11.704 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.597 -19.826 10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.244 -18.126 10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.660 -17.012 11.706 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.326 -16.418 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.924 -17.095 10.455 1.00 0.00 H new ATOM 208 N GLU A 563 -8.757 -21.243 8.636 1.00 0.00 N ATOM 209 CA GLU A 563 -9.847 -22.026 9.292 1.00 0.00 C ATOM 210 C GLU A 563 -9.520 -23.529 9.302 1.00 0.00 C ATOM 211 O GLU A 563 -9.794 -24.238 10.285 1.00 0.00 O ATOM 212 CB GLU A 563 -11.221 -21.802 8.592 1.00 0.00 C ATOM 213 CG GLU A 563 -11.673 -20.332 8.471 1.00 0.00 C ATOM 214 CD GLU A 563 -11.612 -19.549 9.790 1.00 0.00 C ATOM 215 OE1 GLU A 563 -12.595 -19.586 10.565 1.00 0.00 O ATOM 216 OE2 GLU A 563 -10.572 -18.898 10.060 1.00 0.00 O ATOM 0 H GLU A 563 -9.075 -20.697 7.836 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.917 -21.666 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.174 -22.233 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.983 -22.354 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.047 -19.830 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -12.695 -20.307 8.092 1.00 0.00 H new ATOM 223 N GLN A 564 -8.927 -23.986 8.189 1.00 0.00 N ATOM 224 CA GLN A 564 -8.442 -25.364 8.039 1.00 0.00 C ATOM 225 C GLN A 564 -7.343 -25.645 9.070 1.00 0.00 C ATOM 226 O GLN A 564 -7.453 -26.570 9.862 1.00 0.00 O ATOM 227 CB GLN A 564 -7.899 -25.590 6.603 1.00 0.00 C ATOM 228 CG GLN A 564 -7.297 -26.995 6.353 1.00 0.00 C ATOM 229 CD GLN A 564 -6.719 -27.162 4.945 1.00 0.00 C ATOM 230 OE1 GLN A 564 -7.402 -27.595 4.018 1.00 0.00 O ATOM 231 NE2 GLN A 564 -5.445 -26.833 4.784 1.00 0.00 N ATOM 0 H GLN A 564 -8.770 -23.406 7.364 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.272 -26.050 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.709 -25.425 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.136 -24.840 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -6.512 -27.182 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -8.069 -27.748 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -4.907 -26.477 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -5.003 -26.936 3.870 1.00 0.00 H new ATOM 240 N ALA A 565 -6.324 -24.783 9.067 1.00 0.00 N ATOM 241 CA ALA A 565 -5.098 -24.955 9.864 1.00 0.00 C ATOM 242 C ALA A 565 -5.354 -24.818 11.386 1.00 0.00 C ATOM 243 O ALA A 565 -4.690 -25.457 12.193 1.00 0.00 O ATOM 244 CB ALA A 565 -4.047 -23.947 9.381 1.00 0.00 C ATOM 0 H ALA A 565 -6.323 -23.932 8.504 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.730 -25.970 9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.134 -24.065 9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.830 -24.124 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.429 -22.934 9.507 1.00 0.00 H new ATOM 250 N LEU A 566 -6.345 -23.996 11.761 1.00 0.00 N ATOM 251 CA LEU A 566 -6.755 -23.794 13.170 1.00 0.00 C ATOM 252 C LEU A 566 -7.396 -25.079 13.723 1.00 0.00 C ATOM 253 O LEU A 566 -7.211 -25.436 14.884 1.00 0.00 O ATOM 254 CB LEU A 566 -7.760 -22.607 13.281 1.00 0.00 C ATOM 255 CG LEU A 566 -7.187 -21.186 12.962 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.301 -20.116 12.937 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.074 -20.785 13.944 1.00 0.00 C ATOM 0 H LEU A 566 -6.891 -23.447 11.097 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.869 -23.556 13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.594 -22.800 12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.165 -22.594 14.293 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.749 -21.241 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.865 -19.142 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.033 -20.371 12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.791 -20.078 13.910 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.703 -19.792 13.688 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.471 -20.773 14.959 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.258 -21.504 13.882 1.00 0.00 H new ATOM 269 N LYS A 567 -8.139 -25.761 12.844 1.00 0.00 N ATOM 270 CA LYS A 567 -8.853 -27.006 13.165 1.00 0.00 C ATOM 271 C LYS A 567 -7.889 -28.218 13.067 1.00 0.00 C ATOM 272 O LYS A 567 -8.010 -29.177 13.841 1.00 0.00 O ATOM 273 CB LYS A 567 -10.081 -27.127 12.203 1.00 0.00 C ATOM 274 CG LYS A 567 -11.082 -28.282 12.491 1.00 0.00 C ATOM 275 CD LYS A 567 -10.666 -29.641 11.876 1.00 0.00 C ATOM 276 CE LYS A 567 -11.640 -30.779 12.225 1.00 0.00 C ATOM 277 NZ LYS A 567 -11.156 -32.095 11.731 1.00 0.00 N ATOM 0 H LYS A 567 -8.264 -25.462 11.877 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.221 -26.992 14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.630 -26.186 12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -9.707 -27.247 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.186 -28.399 13.570 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -12.063 -28.004 12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -10.606 -29.540 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -9.668 -29.903 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -11.773 -30.824 13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -12.617 -30.566 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -11.841 -32.835 11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -11.053 -32.061 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -10.235 -32.311 12.164 1.00 0.00 H new ATOM 291 N THR A 568 -6.934 -28.156 12.116 1.00 0.00 N ATOM 292 CA THR A 568 -5.984 -29.257 11.848 1.00 0.00 C ATOM 293 C THR A 568 -4.973 -29.389 13.002 1.00 0.00 C ATOM 294 O THR A 568 -4.667 -30.504 13.450 1.00 0.00 O ATOM 295 CB THR A 568 -5.246 -29.068 10.476 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.214 -28.998 9.417 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.261 -30.210 10.167 1.00 0.00 C ATOM 0 H THR A 568 -6.799 -27.344 11.514 1.00 0.00 H new ATOM 0 HA THR A 568 -6.558 -30.181 11.781 1.00 0.00 H new ATOM 0 HB THR A 568 -4.673 -28.144 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.716 -28.160 9.488 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.780 -30.026 9.206 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.503 -30.258 10.949 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.801 -31.156 10.127 1.00 0.00 H new ATOM 305 N TYR A 569 -4.482 -28.241 13.493 1.00 0.00 N ATOM 306 CA TYR A 569 -3.569 -28.181 14.647 1.00 0.00 C ATOM 307 C TYR A 569 -4.365 -27.600 15.836 1.00 0.00 C ATOM 308 O TYR A 569 -4.583 -26.384 15.871 1.00 0.00 O ATOM 309 CB TYR A 569 -2.314 -27.296 14.329 1.00 0.00 C ATOM 310 CG TYR A 569 -1.799 -27.427 12.883 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.349 -28.649 12.386 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.824 -26.338 12.006 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.933 -28.776 11.074 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.422 -26.468 10.693 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.978 -27.685 10.233 1.00 0.00 C ATOM 316 OH TYR A 569 -0.585 -27.816 8.922 1.00 0.00 O ATOM 0 H TYR A 569 -4.707 -27.326 13.101 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.198 -29.177 14.887 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.561 -26.252 14.522 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.511 -27.565 15.015 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.325 -29.511 13.037 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.164 -25.377 12.363 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.574 -29.727 10.709 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.456 -25.617 10.029 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.679 -26.954 8.465 1.00 0.00 H new ATOM 326 N PRO A 570 -4.856 -28.460 16.805 1.00 0.00 N ATOM 327 CA PRO A 570 -5.616 -27.986 17.995 1.00 0.00 C ATOM 328 C PRO A 570 -4.793 -27.021 18.877 1.00 0.00 C ATOM 329 O PRO A 570 -3.598 -26.809 18.642 1.00 0.00 O ATOM 330 CB PRO A 570 -5.990 -29.292 18.748 1.00 0.00 C ATOM 331 CG PRO A 570 -5.833 -30.386 17.731 1.00 0.00 C ATOM 332 CD PRO A 570 -4.723 -29.941 16.811 1.00 0.00 C ATOM 0 HA PRO A 570 -6.493 -27.402 17.714 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -5.337 -29.454 19.606 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -7.011 -29.250 19.128 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -5.586 -31.333 18.211 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -6.760 -30.541 17.178 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.746 -30.256 17.178 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.838 -30.359 15.811 1.00 0.00 H new ATOM 340 N VAL A 571 -5.444 -26.417 19.887 1.00 0.00 N ATOM 341 CA VAL A 571 -4.838 -25.313 20.662 1.00 0.00 C ATOM 342 C VAL A 571 -3.653 -25.789 21.533 1.00 0.00 C ATOM 343 O VAL A 571 -2.741 -25.016 21.827 1.00 0.00 O ATOM 344 CB VAL A 571 -5.912 -24.542 21.525 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.384 -25.361 22.759 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.386 -23.138 21.921 1.00 0.00 C ATOM 0 H VAL A 571 -6.385 -26.671 20.187 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.436 -24.609 19.933 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.797 -24.406 20.904 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.122 -24.785 23.318 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.832 -26.297 22.425 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.530 -25.576 23.401 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -6.140 -22.621 22.515 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.472 -23.243 22.506 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -5.176 -22.561 21.021 1.00 0.00 H new ATOM 356 N ASN A 572 -3.648 -27.082 21.895 1.00 0.00 N ATOM 357 CA ASN A 572 -2.574 -27.681 22.708 1.00 0.00 C ATOM 358 C ASN A 572 -1.406 -28.198 21.839 1.00 0.00 C ATOM 359 O ASN A 572 -0.509 -28.879 22.347 1.00 0.00 O ATOM 360 CB ASN A 572 -3.150 -28.800 23.616 1.00 0.00 C ATOM 361 CG ASN A 572 -4.151 -28.268 24.647 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.362 -28.242 24.407 1.00 0.00 O ATOM 363 ND2 ASN A 572 -3.655 -27.800 25.791 1.00 0.00 N ATOM 0 H ASN A 572 -4.383 -27.739 21.635 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.160 -26.899 23.345 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.639 -29.551 22.995 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.331 -29.299 24.134 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -4.280 -27.408 26.495 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -2.650 -27.834 25.963 1.00 0.00 H new ATOM 370 N THR A 573 -1.436 -27.888 20.522 1.00 0.00 N ATOM 371 CA THR A 573 -0.290 -28.091 19.626 1.00 0.00 C ATOM 372 C THR A 573 0.703 -26.925 19.851 1.00 0.00 C ATOM 373 O THR A 573 0.354 -25.780 19.552 1.00 0.00 O ATOM 374 CB THR A 573 -0.734 -28.123 18.113 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.779 -29.080 17.944 1.00 0.00 O ATOM 376 CG2 THR A 573 0.427 -28.471 17.150 1.00 0.00 C ATOM 0 H THR A 573 -2.254 -27.492 20.059 1.00 0.00 H new ATOM 0 HA THR A 573 0.173 -29.052 19.851 1.00 0.00 H new ATOM 0 HB THR A 573 -1.077 -27.119 17.862 1.00 0.00 H new ATOM 0 HG1 THR A 573 -2.642 -28.661 18.144 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.059 -28.478 16.124 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.216 -27.726 17.248 1.00 0.00 H new ATOM 0 HG23 THR A 573 0.824 -29.455 17.399 1.00 0.00 H new ATOM 384 N PRO A 574 1.945 -27.178 20.386 1.00 0.00 N ATOM 385 CA PRO A 574 2.968 -26.112 20.560 1.00 0.00 C ATOM 386 C PRO A 574 3.527 -25.597 19.211 1.00 0.00 C ATOM 387 O PRO A 574 4.164 -24.540 19.146 1.00 0.00 O ATOM 388 CB PRO A 574 4.064 -26.808 21.406 1.00 0.00 C ATOM 389 CG PRO A 574 3.926 -28.262 21.074 1.00 0.00 C ATOM 390 CD PRO A 574 2.441 -28.496 20.879 1.00 0.00 C ATOM 0 HA PRO A 574 2.560 -25.219 21.034 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.057 -26.436 21.154 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.917 -26.628 22.471 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.484 -28.513 20.172 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.319 -28.886 21.876 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.251 -29.292 20.159 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.954 -28.786 21.810 1.00 0.00 H new ATOM 398 N GLU A 575 3.263 -26.371 18.146 1.00 0.00 N ATOM 399 CA GLU A 575 3.699 -26.071 16.777 1.00 0.00 C ATOM 400 C GLU A 575 2.518 -25.548 15.924 1.00 0.00 C ATOM 401 O GLU A 575 2.652 -25.472 14.703 1.00 0.00 O ATOM 402 CB GLU A 575 4.277 -27.367 16.143 1.00 0.00 C ATOM 403 CG GLU A 575 5.357 -28.087 16.978 1.00 0.00 C ATOM 404 CD GLU A 575 5.842 -29.399 16.329 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.038 -30.363 16.255 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.007 -29.470 15.876 1.00 0.00 O ATOM 0 H GLU A 575 2.731 -27.238 18.216 1.00 0.00 H new ATOM 0 HA GLU A 575 4.463 -25.294 16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.456 -28.062 15.965 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.700 -27.118 15.170 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.208 -27.419 17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 575 4.958 -28.304 17.969 1.00 0.00 H new ATOM 413 N ARG A 576 1.379 -25.175 16.585 1.00 0.00 N ATOM 414 CA ARG A 576 0.113 -24.799 15.889 1.00 0.00 C ATOM 415 C ARG A 576 0.370 -23.705 14.840 1.00 0.00 C ATOM 416 O ARG A 576 0.258 -23.938 13.633 1.00 0.00 O ATOM 417 CB ARG A 576 -0.964 -24.289 16.905 1.00 0.00 C ATOM 418 CG ARG A 576 -2.327 -23.888 16.263 1.00 0.00 C ATOM 419 CD ARG A 576 -3.243 -23.133 17.237 1.00 0.00 C ATOM 420 NE ARG A 576 -4.545 -22.746 16.634 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.736 -23.266 16.971 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.808 -24.338 17.726 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.855 -22.748 16.514 1.00 0.00 N ATOM 0 H ARG A 576 1.316 -25.128 17.602 1.00 0.00 H new ATOM 0 HA ARG A 576 -0.261 -25.696 15.395 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -1.142 -25.068 17.646 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.562 -23.428 17.438 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.142 -23.265 15.388 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.837 -24.786 15.913 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.426 -23.757 18.112 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.731 -22.237 17.587 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.533 -22.030 15.908 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.954 -24.783 18.062 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.718 -24.725 17.976 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.826 -21.939 15.894 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.752 -23.155 16.780 1.00 0.00 H new ATOM 437 N TRP A 577 0.826 -22.554 15.341 1.00 0.00 N ATOM 438 CA TRP A 577 0.998 -21.326 14.558 1.00 0.00 C ATOM 439 C TRP A 577 2.181 -21.458 13.587 1.00 0.00 C ATOM 440 O TRP A 577 2.145 -20.908 12.480 1.00 0.00 O ATOM 441 CB TRP A 577 1.181 -20.125 15.529 1.00 0.00 C ATOM 442 CG TRP A 577 0.072 -20.025 16.552 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.134 -20.340 17.882 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.279 -19.628 16.306 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.087 -20.141 18.474 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.974 -19.703 17.525 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.961 -19.200 15.171 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.320 -19.379 17.637 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.294 -18.882 15.281 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.962 -18.969 16.503 1.00 0.00 C ATOM 0 H TRP A 577 1.091 -22.447 16.320 1.00 0.00 H new ATOM 0 HA TRP A 577 0.109 -21.152 13.951 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.137 -20.222 16.044 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.222 -19.201 14.953 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.017 -20.694 18.392 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.300 -20.294 19.460 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.453 -19.119 14.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.838 -19.448 18.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.835 -18.558 14.404 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -5.008 -18.707 16.553 1.00 0.00 H new ATOM 461 N LYS A 578 3.201 -22.226 14.002 1.00 0.00 N ATOM 462 CA LYS A 578 4.394 -22.516 13.177 1.00 0.00 C ATOM 463 C LYS A 578 3.988 -23.229 11.865 1.00 0.00 C ATOM 464 O LYS A 578 4.437 -22.872 10.774 1.00 0.00 O ATOM 465 CB LYS A 578 5.389 -23.404 13.975 1.00 0.00 C ATOM 466 CG LYS A 578 5.862 -22.807 15.326 1.00 0.00 C ATOM 467 CD LYS A 578 6.622 -21.469 15.161 1.00 0.00 C ATOM 468 CE LYS A 578 7.084 -20.875 16.507 1.00 0.00 C ATOM 469 NZ LYS A 578 7.825 -19.599 16.329 1.00 0.00 N ATOM 0 H LYS A 578 3.226 -22.667 14.922 1.00 0.00 H new ATOM 0 HA LYS A 578 4.878 -21.572 12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 578 4.919 -24.369 14.166 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.264 -23.593 13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 578 4.997 -22.650 15.971 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.508 -23.526 15.829 1.00 0.00 H new ATOM 0 HD2 LYS A 578 7.490 -21.626 14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.978 -20.751 14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 578 6.216 -20.704 17.144 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.721 -21.595 17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 8.117 -19.235 17.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 8.667 -19.766 15.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 7.210 -18.903 15.862 1.00 0.00 H new ATOM 483 N LYS A 579 3.105 -24.222 12.011 1.00 0.00 N ATOM 484 CA LYS A 579 2.598 -25.040 10.894 1.00 0.00 C ATOM 485 C LYS A 579 1.487 -24.315 10.108 1.00 0.00 C ATOM 486 O LYS A 579 1.187 -24.672 8.965 1.00 0.00 O ATOM 487 CB LYS A 579 2.114 -26.396 11.447 1.00 0.00 C ATOM 488 CG LYS A 579 3.244 -27.245 12.066 1.00 0.00 C ATOM 489 CD LYS A 579 2.746 -28.571 12.674 1.00 0.00 C ATOM 490 CE LYS A 579 3.917 -29.473 13.103 1.00 0.00 C ATOM 491 NZ LYS A 579 3.471 -30.786 13.622 1.00 0.00 N ATOM 0 H LYS A 579 2.715 -24.487 12.916 1.00 0.00 H new ATOM 0 HA LYS A 579 3.407 -25.211 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.348 -26.219 12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.644 -26.961 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.988 -27.461 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.744 -26.663 12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 579 2.113 -28.361 13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 579 2.129 -29.097 11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 579 4.579 -29.630 12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 579 4.500 -28.963 13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.866 -30.936 14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 2.432 -30.805 13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 3.801 -31.541 12.987 1.00 0.00 H new ATOM 505 N ILE A 580 0.860 -23.315 10.751 1.00 0.00 N ATOM 506 CA ILE A 580 -0.086 -22.386 10.091 1.00 0.00 C ATOM 507 C ILE A 580 0.661 -21.471 9.089 1.00 0.00 C ATOM 508 O ILE A 580 0.072 -20.993 8.133 1.00 0.00 O ATOM 509 CB ILE A 580 -0.909 -21.562 11.165 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.907 -22.515 11.902 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.647 -20.339 10.563 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.705 -21.897 13.028 1.00 0.00 C ATOM 0 H ILE A 580 0.992 -23.124 11.744 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.809 -22.967 9.518 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.195 -21.153 11.880 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.604 -22.917 11.167 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.344 -23.358 12.302 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.191 -19.818 11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.921 -19.661 10.114 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.348 -20.677 9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.362 -22.650 13.464 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.025 -21.522 13.793 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.304 -21.073 12.640 1.00 0.00 H new ATOM 524 N ALA A 581 1.966 -21.235 9.333 1.00 0.00 N ATOM 525 CA ALA A 581 2.846 -20.536 8.355 1.00 0.00 C ATOM 526 C ALA A 581 2.995 -21.354 7.046 1.00 0.00 C ATOM 527 O ALA A 581 3.109 -20.777 5.961 1.00 0.00 O ATOM 528 CB ALA A 581 4.230 -20.251 8.968 1.00 0.00 C ATOM 0 H ALA A 581 2.439 -21.514 10.193 1.00 0.00 H new ATOM 0 HA ALA A 581 2.373 -19.585 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.854 -19.740 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.115 -19.620 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.702 -21.191 9.254 1.00 0.00 H new ATOM 534 N GLU A 582 2.999 -22.696 7.177 1.00 0.00 N ATOM 535 CA GLU A 582 3.094 -23.623 6.027 1.00 0.00 C ATOM 536 C GLU A 582 1.760 -23.663 5.244 1.00 0.00 C ATOM 537 O GLU A 582 1.749 -23.695 4.005 1.00 0.00 O ATOM 538 CB GLU A 582 3.453 -25.053 6.519 1.00 0.00 C ATOM 539 CG GLU A 582 4.770 -25.167 7.311 1.00 0.00 C ATOM 540 CD GLU A 582 5.045 -26.610 7.781 1.00 0.00 C ATOM 541 OE1 GLU A 582 4.550 -27.002 8.857 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.743 -27.368 7.067 1.00 0.00 O ATOM 0 H GLU A 582 2.937 -23.168 8.079 1.00 0.00 H new ATOM 0 HA GLU A 582 3.880 -23.262 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.639 -25.419 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.511 -25.713 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.597 -24.826 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.729 -24.506 8.177 1.00 0.00 H new ATOM 549 N ALA A 583 0.642 -23.676 5.993 1.00 0.00 N ATOM 550 CA ALA A 583 -0.719 -23.763 5.427 1.00 0.00 C ATOM 551 C ALA A 583 -1.204 -22.401 4.872 1.00 0.00 C ATOM 552 O ALA A 583 -1.993 -22.349 3.919 1.00 0.00 O ATOM 553 CB ALA A 583 -1.691 -24.293 6.492 1.00 0.00 C ATOM 0 H ALA A 583 0.656 -23.626 7.012 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.691 -24.457 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.694 -24.356 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.371 -25.283 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.698 -23.617 7.347 1.00 0.00 H new ATOM 559 N VAL A 584 -0.728 -21.307 5.496 1.00 0.00 N ATOM 560 CA VAL A 584 -1.097 -19.920 5.140 1.00 0.00 C ATOM 561 C VAL A 584 0.212 -19.103 4.982 1.00 0.00 C ATOM 562 O VAL A 584 0.748 -18.599 5.979 1.00 0.00 O ATOM 563 CB VAL A 584 -2.022 -19.234 6.235 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.680 -17.948 5.685 1.00 0.00 C ATOM 565 CG2 VAL A 584 -3.089 -20.203 6.786 1.00 0.00 C ATOM 0 H VAL A 584 -0.068 -21.360 6.272 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.670 -19.943 4.213 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.374 -18.958 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.307 -17.501 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.905 -17.240 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.293 -18.195 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.697 -19.689 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.726 -20.544 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.599 -21.061 7.247 1.00 0.00 H new ATOM 575 N PRO A 585 0.780 -19.003 3.739 1.00 0.00 N ATOM 576 CA PRO A 585 2.068 -18.317 3.499 1.00 0.00 C ATOM 577 C PRO A 585 1.927 -16.779 3.494 1.00 0.00 C ATOM 578 O PRO A 585 0.859 -16.238 3.170 1.00 0.00 O ATOM 579 CB PRO A 585 2.491 -18.867 2.116 1.00 0.00 C ATOM 580 CG PRO A 585 1.198 -19.105 1.404 1.00 0.00 C ATOM 581 CD PRO A 585 0.211 -19.544 2.474 1.00 0.00 C ATOM 0 HA PRO A 585 2.802 -18.505 4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 585 3.116 -18.154 1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 585 3.067 -19.787 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.855 -18.200 0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.309 -19.871 0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -0.786 -19.146 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 585 0.120 -20.630 2.510 1.00 0.00 H new ATOM 589 N GLY A 586 3.004 -16.094 3.906 1.00 0.00 N ATOM 590 CA GLY A 586 3.070 -14.625 3.919 1.00 0.00 C ATOM 591 C GLY A 586 2.481 -13.996 5.183 1.00 0.00 C ATOM 592 O GLY A 586 3.035 -13.021 5.705 1.00 0.00 O ATOM 0 H GLY A 586 3.856 -16.544 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 586 4.111 -14.316 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 586 2.539 -14.238 3.049 1.00 0.00 H new ATOM 596 N ARG A 587 1.366 -14.563 5.684 1.00 0.00 N ATOM 597 CA ARG A 587 0.692 -14.079 6.902 1.00 0.00 C ATOM 598 C ARG A 587 1.543 -14.394 8.139 1.00 0.00 C ATOM 599 O ARG A 587 2.008 -15.527 8.305 1.00 0.00 O ATOM 600 CB ARG A 587 -0.717 -14.729 7.029 1.00 0.00 C ATOM 601 CG ARG A 587 -1.745 -14.253 5.973 1.00 0.00 C ATOM 602 CD ARG A 587 -2.131 -12.773 6.151 1.00 0.00 C ATOM 603 NE ARG A 587 -2.968 -12.274 5.047 1.00 0.00 N ATOM 604 CZ ARG A 587 -3.406 -11.015 4.912 1.00 0.00 C ATOM 605 NH1 ARG A 587 -3.228 -10.113 5.877 1.00 0.00 N ATOM 606 NH2 ARG A 587 -4.036 -10.665 3.810 1.00 0.00 N ATOM 0 H ARG A 587 0.909 -15.368 5.256 1.00 0.00 H new ATOM 0 HA ARG A 587 0.570 -12.998 6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.612 -15.811 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.112 -14.517 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.331 -14.400 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.641 -14.869 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.666 -12.651 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.226 -12.170 6.218 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.237 -12.942 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -2.750 -10.376 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -3.569 -9.160 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.187 -11.350 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -4.374 -9.709 3.697 1.00 0.00 H new ATOM 620 N THR A 588 1.740 -13.378 8.997 1.00 0.00 N ATOM 621 CA THR A 588 2.535 -13.502 10.220 1.00 0.00 C ATOM 622 C THR A 588 1.706 -14.158 11.339 1.00 0.00 C ATOM 623 O THR A 588 0.470 -14.067 11.359 1.00 0.00 O ATOM 624 CB THR A 588 3.057 -12.100 10.676 1.00 0.00 C ATOM 625 OG1 THR A 588 1.961 -11.185 10.753 1.00 0.00 O ATOM 626 CG2 THR A 588 4.122 -11.523 9.720 1.00 0.00 C ATOM 0 H THR A 588 1.349 -12.447 8.857 1.00 0.00 H new ATOM 0 HA THR A 588 3.394 -14.139 10.010 1.00 0.00 H new ATOM 0 HB THR A 588 3.524 -12.234 11.652 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.288 -10.307 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.449 -10.549 10.085 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.976 -12.199 9.676 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.695 -11.412 8.723 1.00 0.00 H new ATOM 634 N LYS A 589 2.401 -14.828 12.262 1.00 0.00 N ATOM 635 CA LYS A 589 1.767 -15.621 13.332 1.00 0.00 C ATOM 636 C LYS A 589 1.020 -14.737 14.328 1.00 0.00 C ATOM 637 O LYS A 589 -0.001 -15.160 14.847 1.00 0.00 O ATOM 638 CB LYS A 589 2.827 -16.523 14.021 1.00 0.00 C ATOM 639 CG LYS A 589 3.126 -17.891 13.334 1.00 0.00 C ATOM 640 CD LYS A 589 3.566 -17.837 11.837 1.00 0.00 C ATOM 641 CE LYS A 589 2.395 -17.717 10.823 1.00 0.00 C ATOM 642 NZ LYS A 589 1.376 -18.786 10.982 1.00 0.00 N ATOM 0 H LYS A 589 3.420 -14.839 12.293 1.00 0.00 H new ATOM 0 HA LYS A 589 1.014 -16.269 12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.760 -15.963 14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.498 -16.718 15.042 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.909 -18.394 13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.232 -18.511 13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.237 -16.989 11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.138 -18.736 11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 589 1.916 -16.745 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.795 -17.752 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 0.936 -18.986 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 1.831 -19.649 11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.646 -18.473 11.653 1.00 0.00 H new ATOM 656 N LYS A 590 1.524 -13.513 14.561 1.00 0.00 N ATOM 657 CA LYS A 590 0.838 -12.515 15.408 1.00 0.00 C ATOM 658 C LYS A 590 -0.549 -12.149 14.824 1.00 0.00 C ATOM 659 O LYS A 590 -1.514 -11.975 15.570 1.00 0.00 O ATOM 660 CB LYS A 590 1.712 -11.240 15.585 1.00 0.00 C ATOM 661 CG LYS A 590 2.203 -10.594 14.269 1.00 0.00 C ATOM 662 CD LYS A 590 2.909 -9.230 14.487 1.00 0.00 C ATOM 663 CE LYS A 590 1.957 -8.129 14.995 1.00 0.00 C ATOM 664 NZ LYS A 590 0.900 -7.809 14.000 1.00 0.00 N ATOM 0 H LYS A 590 2.409 -13.187 14.173 1.00 0.00 H new ATOM 0 HA LYS A 590 0.685 -12.962 16.390 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.139 -10.500 16.143 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.580 -11.495 16.193 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.891 -11.277 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.353 -10.454 13.601 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.721 -9.358 15.203 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.360 -8.907 13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.493 -8.452 15.927 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.529 -7.229 15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 1.021 -6.831 13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 0.974 -8.461 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 -0.036 -7.910 14.443 1.00 0.00 H new ATOM 678 N ASP A 591 -0.633 -12.064 13.480 1.00 0.00 N ATOM 679 CA ASP A 591 -1.892 -11.754 12.758 1.00 0.00 C ATOM 680 C ASP A 591 -2.821 -12.977 12.704 1.00 0.00 C ATOM 681 O ASP A 591 -4.045 -12.825 12.618 1.00 0.00 O ATOM 682 CB ASP A 591 -1.589 -11.233 11.327 1.00 0.00 C ATOM 683 CG ASP A 591 -1.050 -9.786 11.316 1.00 0.00 C ATOM 684 OD1 ASP A 591 0.014 -9.530 11.913 1.00 0.00 O ATOM 685 OD2 ASP A 591 -1.694 -8.894 10.725 1.00 0.00 O ATOM 0 H ASP A 591 0.166 -12.207 12.863 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.407 -10.968 13.310 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.860 -11.890 10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.498 -11.281 10.728 1.00 0.00 H new ATOM 690 N CYS A 592 -2.225 -14.181 12.735 1.00 0.00 N ATOM 691 CA CYS A 592 -2.972 -15.451 12.794 1.00 0.00 C ATOM 692 C CYS A 592 -3.619 -15.623 14.192 1.00 0.00 C ATOM 693 O CYS A 592 -4.765 -16.076 14.305 1.00 0.00 O ATOM 694 CB CYS A 592 -2.034 -16.641 12.478 1.00 0.00 C ATOM 695 SG CYS A 592 -1.235 -16.546 10.860 1.00 0.00 S ATOM 0 H CYS A 592 -1.212 -14.302 12.720 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.764 -15.430 12.045 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.264 -16.697 13.248 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.608 -17.566 12.533 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.496 -15.478 10.803 1.00 0.00 H new ATOM 701 N MET A 593 -2.858 -15.239 15.245 1.00 0.00 N ATOM 702 CA MET A 593 -3.306 -15.300 16.662 1.00 0.00 C ATOM 703 C MET A 593 -4.409 -14.263 16.897 1.00 0.00 C ATOM 704 O MET A 593 -5.401 -14.538 17.573 1.00 0.00 O ATOM 705 CB MET A 593 -2.121 -15.025 17.636 1.00 0.00 C ATOM 706 CG MET A 593 -1.000 -16.067 17.611 1.00 0.00 C ATOM 707 SD MET A 593 0.404 -15.586 18.646 1.00 0.00 S ATOM 708 CE MET A 593 1.658 -16.750 18.114 1.00 0.00 C ATOM 0 H MET A 593 -1.911 -14.876 15.137 1.00 0.00 H new ATOM 0 HA MET A 593 -3.689 -16.302 16.857 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.695 -14.051 17.398 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.513 -14.962 18.651 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.390 -17.026 17.953 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.661 -16.209 16.585 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.081 -17.252 18.984 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.210 -17.490 17.451 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.447 -16.217 17.583 1.00 0.00 H new ATOM 718 N LYS A 594 -4.193 -13.072 16.314 1.00 0.00 N ATOM 719 CA LYS A 594 -5.139 -11.942 16.347 1.00 0.00 C ATOM 720 C LYS A 594 -6.473 -12.356 15.720 1.00 0.00 C ATOM 721 O LYS A 594 -7.534 -12.149 16.310 1.00 0.00 O ATOM 722 CB LYS A 594 -4.518 -10.719 15.592 1.00 0.00 C ATOM 723 CG LYS A 594 -5.290 -9.365 15.694 1.00 0.00 C ATOM 724 CD LYS A 594 -6.490 -9.227 14.719 1.00 0.00 C ATOM 725 CE LYS A 594 -7.260 -7.913 14.920 1.00 0.00 C ATOM 726 NZ LYS A 594 -6.405 -6.719 14.702 1.00 0.00 N ATOM 0 H LYS A 594 -3.339 -12.863 15.796 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.328 -11.653 17.381 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.507 -10.564 15.970 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.428 -10.980 14.538 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -5.653 -9.246 16.715 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -4.592 -8.549 15.507 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -6.128 -9.279 13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -7.169 -10.068 14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -8.106 -7.882 14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -7.669 -7.885 15.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -6.992 -5.861 14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -5.682 -6.669 15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -5.941 -6.789 13.774 1.00 0.00 H new ATOM 740 N ARG A 595 -6.394 -12.953 14.518 1.00 0.00 N ATOM 741 CA ARG A 595 -7.584 -13.298 13.725 1.00 0.00 C ATOM 742 C ARG A 595 -8.403 -14.385 14.441 1.00 0.00 C ATOM 743 O ARG A 595 -9.610 -14.244 14.590 1.00 0.00 O ATOM 744 CB ARG A 595 -7.194 -13.744 12.286 1.00 0.00 C ATOM 745 CG ARG A 595 -8.365 -13.730 11.275 1.00 0.00 C ATOM 746 CD ARG A 595 -9.016 -12.336 11.161 1.00 0.00 C ATOM 747 NE ARG A 595 -10.106 -12.307 10.170 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.304 -11.714 10.333 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.612 -11.107 11.477 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.189 -11.742 9.347 1.00 0.00 N ATOM 0 H ARG A 595 -5.512 -13.207 14.073 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.203 -12.406 13.631 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.404 -13.090 11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.780 -14.751 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.002 -14.041 10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.117 -14.457 11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.405 -12.039 12.135 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.257 -11.604 10.884 1.00 0.00 H new ATOM 0 HE ARG A 595 -9.938 -12.778 9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.937 -11.088 12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.523 -10.661 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -11.961 -12.211 8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.098 -11.295 9.465 1.00 0.00 H new ATOM 764 N TYR A 596 -7.712 -15.433 14.937 1.00 0.00 N ATOM 765 CA TYR A 596 -8.346 -16.530 15.714 1.00 0.00 C ATOM 766 C TYR A 596 -8.917 -16.008 17.048 1.00 0.00 C ATOM 767 O TYR A 596 -9.917 -16.537 17.542 1.00 0.00 O ATOM 768 CB TYR A 596 -7.335 -17.680 15.958 1.00 0.00 C ATOM 769 CG TYR A 596 -7.848 -18.843 16.840 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.963 -19.599 16.469 1.00 0.00 C ATOM 771 CD2 TYR A 596 -7.212 -19.182 18.040 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.426 -20.635 17.263 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.674 -20.217 18.836 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.777 -20.944 18.443 1.00 0.00 C ATOM 775 OH TYR A 596 -9.235 -21.985 19.232 1.00 0.00 O ATOM 0 H TYR A 596 -6.706 -15.547 14.814 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.177 -16.923 15.128 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -7.033 -18.086 14.992 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.441 -17.262 16.422 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.474 -19.371 15.545 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.342 -18.624 18.352 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -10.294 -21.201 16.960 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -7.171 -20.454 19.762 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.665 -22.070 20.025 1.00 0.00 H new ATOM 785 N LYS A 597 -8.278 -14.962 17.613 1.00 0.00 N ATOM 786 CA LYS A 597 -8.779 -14.282 18.828 1.00 0.00 C ATOM 787 C LYS A 597 -10.144 -13.645 18.515 1.00 0.00 C ATOM 788 O LYS A 597 -11.092 -13.822 19.274 1.00 0.00 O ATOM 789 CB LYS A 597 -7.738 -13.234 19.353 1.00 0.00 C ATOM 790 CG LYS A 597 -8.063 -12.536 20.714 1.00 0.00 C ATOM 791 CD LYS A 597 -9.019 -11.316 20.594 1.00 0.00 C ATOM 792 CE LYS A 597 -9.324 -10.650 21.953 1.00 0.00 C ATOM 793 NZ LYS A 597 -10.256 -9.498 21.817 1.00 0.00 N ATOM 0 H LYS A 597 -7.411 -14.568 17.246 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.913 -15.007 19.631 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.773 -13.733 19.449 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.623 -12.460 18.594 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -8.509 -13.268 21.387 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.130 -12.208 21.173 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -8.575 -10.578 19.926 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -9.954 -11.638 20.136 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -9.757 -11.388 22.628 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.393 -10.310 22.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -10.771 -9.361 22.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -9.715 -8.638 21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -10.934 -9.689 21.052 1.00 0.00 H new ATOM 807 N GLU A 598 -10.235 -12.950 17.359 1.00 0.00 N ATOM 808 CA GLU A 598 -11.496 -12.342 16.887 1.00 0.00 C ATOM 809 C GLU A 598 -12.587 -13.417 16.748 1.00 0.00 C ATOM 810 O GLU A 598 -13.692 -13.256 17.270 1.00 0.00 O ATOM 811 CB GLU A 598 -11.308 -11.618 15.523 1.00 0.00 C ATOM 812 CG GLU A 598 -10.210 -10.538 15.497 1.00 0.00 C ATOM 813 CD GLU A 598 -10.361 -9.481 16.603 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.238 -8.601 16.481 1.00 0.00 O ATOM 815 OE2 GLU A 598 -9.616 -9.537 17.611 1.00 0.00 O ATOM 0 H GLU A 598 -9.444 -12.797 16.734 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.799 -11.603 17.629 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.078 -12.365 14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.255 -11.157 15.241 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.237 -11.019 15.596 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.223 -10.041 14.527 1.00 0.00 H new ATOM 822 N LEU A 599 -12.227 -14.534 16.085 1.00 0.00 N ATOM 823 CA LEU A 599 -13.162 -15.640 15.786 1.00 0.00 C ATOM 824 C LEU A 599 -13.754 -16.233 17.072 1.00 0.00 C ATOM 825 O LEU A 599 -14.978 -16.271 17.231 1.00 0.00 O ATOM 826 CB LEU A 599 -12.462 -16.756 14.968 1.00 0.00 C ATOM 827 CG LEU A 599 -11.750 -16.295 13.661 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.088 -17.475 12.931 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.697 -15.504 12.731 1.00 0.00 C ATOM 0 H LEU A 599 -11.280 -14.696 15.741 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.974 -15.223 15.190 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.726 -17.242 15.608 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.205 -17.510 14.708 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.956 -15.610 13.957 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.601 -17.115 12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.346 -17.936 13.583 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.847 -18.212 12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.157 -15.203 11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.543 -16.133 12.453 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.060 -14.617 13.250 1.00 0.00 H new ATOM 841 N VAL A 600 -12.866 -16.635 18.005 1.00 0.00 N ATOM 842 CA VAL A 600 -13.278 -17.306 19.247 1.00 0.00 C ATOM 843 C VAL A 600 -14.118 -16.356 20.127 1.00 0.00 C ATOM 844 O VAL A 600 -15.137 -16.775 20.660 1.00 0.00 O ATOM 845 CB VAL A 600 -12.062 -17.921 20.053 1.00 0.00 C ATOM 846 CG1 VAL A 600 -11.095 -16.841 20.601 1.00 0.00 C ATOM 847 CG2 VAL A 600 -12.563 -18.853 21.187 1.00 0.00 C ATOM 0 H VAL A 600 -11.858 -16.504 17.918 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.902 -18.151 18.957 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.487 -18.517 19.344 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -10.282 -17.323 21.144 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -10.686 -16.264 19.771 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -11.636 -16.175 21.273 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -11.708 -19.263 21.726 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -13.187 -18.284 21.876 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -13.146 -19.668 20.757 1.00 0.00 H new ATOM 857 N GLU A 601 -13.719 -15.062 20.192 1.00 0.00 N ATOM 858 CA GLU A 601 -14.464 -14.022 20.944 1.00 0.00 C ATOM 859 C GLU A 601 -15.905 -13.895 20.430 1.00 0.00 C ATOM 860 O GLU A 601 -16.845 -13.994 21.206 1.00 0.00 O ATOM 861 CB GLU A 601 -13.765 -12.632 20.855 1.00 0.00 C ATOM 862 CG GLU A 601 -12.482 -12.489 21.686 1.00 0.00 C ATOM 863 CD GLU A 601 -12.708 -12.585 23.202 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.200 -11.604 23.804 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.392 -13.634 23.803 1.00 0.00 O ATOM 0 H GLU A 601 -12.880 -14.712 19.729 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.478 -14.340 21.987 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.526 -12.430 19.811 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.472 -11.867 21.174 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -11.777 -13.264 21.384 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.018 -11.529 21.458 1.00 0.00 H new ATOM 872 N MET A 602 -16.048 -13.726 19.105 1.00 0.00 N ATOM 873 CA MET A 602 -17.347 -13.429 18.468 1.00 0.00 C ATOM 874 C MET A 602 -18.315 -14.608 18.627 1.00 0.00 C ATOM 875 O MET A 602 -19.453 -14.417 19.050 1.00 0.00 O ATOM 876 CB MET A 602 -17.178 -13.084 16.961 1.00 0.00 C ATOM 877 CG MET A 602 -16.407 -11.785 16.671 1.00 0.00 C ATOM 878 SD MET A 602 -16.236 -11.428 14.903 1.00 0.00 S ATOM 879 CE MET A 602 -15.402 -12.898 14.287 1.00 0.00 C ATOM 0 H MET A 602 -15.272 -13.790 18.446 1.00 0.00 H new ATOM 0 HA MET A 602 -17.763 -12.558 18.974 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.664 -13.911 16.471 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.167 -13.010 16.508 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.918 -10.952 17.154 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.415 -11.853 17.118 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.145 -12.757 13.237 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.493 -13.069 14.864 1.00 0.00 H new ATOM 0 HE3 MET A 602 -16.062 -13.759 14.386 1.00 0.00 H new ATOM 889 N VAL A 603 -17.831 -15.830 18.329 1.00 0.00 N ATOM 890 CA VAL A 603 -18.677 -17.034 18.333 1.00 0.00 C ATOM 891 C VAL A 603 -19.183 -17.361 19.760 1.00 0.00 C ATOM 892 O VAL A 603 -20.371 -17.640 19.939 1.00 0.00 O ATOM 893 CB VAL A 603 -17.958 -18.283 17.675 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.540 -17.975 16.211 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.744 -18.782 18.503 1.00 0.00 C ATOM 0 H VAL A 603 -16.857 -16.007 18.083 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.544 -16.810 17.712 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.686 -19.094 17.667 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.049 -18.848 15.782 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.425 -17.731 15.624 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -16.852 -17.129 16.199 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.291 -19.639 18.004 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.009 -17.982 18.589 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.078 -19.076 19.498 1.00 0.00 H new ATOM 905 N LYS A 604 -18.295 -17.265 20.776 1.00 0.00 N ATOM 906 CA LYS A 604 -18.645 -17.624 22.168 1.00 0.00 C ATOM 907 C LYS A 604 -19.408 -16.486 22.869 1.00 0.00 C ATOM 908 O LYS A 604 -20.166 -16.751 23.794 1.00 0.00 O ATOM 909 CB LYS A 604 -17.403 -18.083 22.986 1.00 0.00 C ATOM 910 CG LYS A 604 -16.398 -16.983 23.399 1.00 0.00 C ATOM 911 CD LYS A 604 -15.142 -17.579 24.100 1.00 0.00 C ATOM 912 CE LYS A 604 -13.979 -16.580 24.222 1.00 0.00 C ATOM 913 NZ LYS A 604 -14.360 -15.345 24.951 1.00 0.00 N ATOM 0 H LYS A 604 -17.334 -16.943 20.658 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.317 -18.481 22.118 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.756 -18.579 23.891 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -16.868 -18.831 22.401 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.090 -16.423 22.516 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.888 -16.277 24.070 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -15.420 -17.925 25.096 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -14.804 -18.452 23.542 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -13.146 -17.059 24.737 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -13.627 -16.315 23.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -13.633 -14.616 24.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -15.274 -14.999 24.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -14.441 -15.553 25.967 1.00 0.00 H new ATOM 927 N ALA A 605 -19.199 -15.225 22.425 1.00 0.00 N ATOM 928 CA ALA A 605 -19.936 -14.052 22.958 1.00 0.00 C ATOM 929 C ALA A 605 -21.402 -14.089 22.508 1.00 0.00 C ATOM 930 O ALA A 605 -22.313 -13.861 23.318 1.00 0.00 O ATOM 931 CB ALA A 605 -19.287 -12.730 22.512 1.00 0.00 C ATOM 0 H ALA A 605 -18.524 -14.992 21.697 1.00 0.00 H new ATOM 0 HA ALA A 605 -19.893 -14.104 24.046 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -19.852 -11.892 22.920 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -18.261 -12.688 22.876 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.288 -12.673 21.423 1.00 0.00 H new ATOM 937 N LYS A 606 -21.608 -14.378 21.204 1.00 0.00 N ATOM 938 CA LYS A 606 -22.952 -14.557 20.621 1.00 0.00 C ATOM 939 C LYS A 606 -23.665 -15.719 21.321 1.00 0.00 C ATOM 940 O LYS A 606 -24.787 -15.570 21.776 1.00 0.00 O ATOM 941 CB LYS A 606 -22.887 -14.841 19.093 1.00 0.00 C ATOM 942 CG LYS A 606 -22.401 -13.663 18.227 1.00 0.00 C ATOM 943 CD LYS A 606 -22.357 -13.995 16.708 1.00 0.00 C ATOM 944 CE LYS A 606 -23.747 -14.018 16.020 1.00 0.00 C ATOM 945 NZ LYS A 606 -24.630 -15.121 16.469 1.00 0.00 N ATOM 0 H LYS A 606 -20.850 -14.493 20.531 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.504 -13.629 20.769 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.226 -15.691 18.926 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.879 -15.137 18.752 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.058 -12.808 18.386 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.405 -13.365 18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -21.728 -13.260 16.205 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -21.882 -14.967 16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -24.248 -13.068 16.207 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -23.605 -14.097 14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -25.192 -15.465 15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -24.050 -15.899 16.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -25.268 -14.774 17.214 1.00 0.00 H new ATOM 959 N LYS A 607 -22.955 -16.856 21.422 1.00 0.00 N ATOM 960 CA LYS A 607 -23.467 -18.096 22.037 1.00 0.00 C ATOM 961 C LYS A 607 -23.811 -17.890 23.526 1.00 0.00 C ATOM 962 O LYS A 607 -24.821 -18.409 24.005 1.00 0.00 O ATOM 963 CB LYS A 607 -22.419 -19.225 21.880 1.00 0.00 C ATOM 964 CG LYS A 607 -22.837 -20.592 22.464 1.00 0.00 C ATOM 965 CD LYS A 607 -21.719 -21.649 22.328 1.00 0.00 C ATOM 966 CE LYS A 607 -22.103 -23.006 22.945 1.00 0.00 C ATOM 967 NZ LYS A 607 -21.009 -24.006 22.815 1.00 0.00 N ATOM 0 H LYS A 607 -21.999 -16.942 21.076 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.386 -18.377 21.523 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.200 -19.352 20.820 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.493 -18.910 22.361 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -23.096 -20.472 23.516 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -23.733 -20.945 21.953 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -21.483 -21.788 21.273 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -20.814 -21.279 22.810 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.346 -22.869 23.999 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -23.001 -23.385 22.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -21.308 -24.905 23.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -20.794 -24.156 21.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -20.159 -23.656 23.302 1.00 0.00 H new ATOM 981 N ALA A 608 -22.973 -17.109 24.234 1.00 0.00 N ATOM 982 CA ALA A 608 -23.147 -16.846 25.679 1.00 0.00 C ATOM 983 C ALA A 608 -24.444 -16.080 25.938 1.00 0.00 C ATOM 984 O ALA A 608 -25.279 -16.505 26.742 1.00 0.00 O ATOM 985 CB ALA A 608 -21.949 -16.070 26.244 1.00 0.00 C ATOM 0 H ALA A 608 -22.162 -16.645 23.826 1.00 0.00 H new ATOM 0 HA ALA A 608 -23.204 -17.808 26.189 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -22.102 -15.889 27.308 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -21.039 -16.652 26.102 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -21.855 -15.117 25.724 1.00 0.00 H new