USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=19 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+ -136:sc= 1.19 (180deg=-1.71) USER MOD Set 1.2: A 592 CYS SG : rot 66:sc= 1.57 USER MOD Single : A 555 THR OG1 : rot -71:sc= -0.199 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -2.54! C(o=-2.5!,f=-6.1!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 GLN : amide:sc= -0.0727 X(o=-0.073,f=-0.49) USER MOD Single : A 567 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0406) USER MOD Single : A 568 THR OG1 : rot 72:sc= 1.19 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= 0.394 USER MOD Single : A 578 LYS NZ :NH3+ 169:sc= -0.0191 (180deg=-0.169) USER MOD Single : A 579 LYS NZ :NH3+ -109:sc= 0.968 (180deg=-0.0375) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 593 MET CE :methyl -142:sc= 0 (180deg=-0.877) USER MOD Single : A 594 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -147:sc= 0.697 (180deg=-0.112) USER MOD Single : A 602 MET CE :methyl -177:sc= -0.47 (180deg=-0.524) USER MOD Single : A 604 LYS NZ :NH3+ -135:sc= -0.0663 (180deg=-1.42) USER MOD Single : A 606 LYS NZ :NH3+ -168:sc= -0.0374 (180deg=-0.251) USER MOD Single : A 607 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.061) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -7.330 -9.781 5.664 1.00 0.00 N ATOM 50 CA TRP A 554 -7.430 -11.212 5.335 1.00 0.00 C ATOM 51 C TRP A 554 -8.537 -11.468 4.299 1.00 0.00 C ATOM 52 O TRP A 554 -9.689 -11.062 4.495 1.00 0.00 O ATOM 53 CB TRP A 554 -7.697 -12.034 6.618 1.00 0.00 C ATOM 54 CG TRP A 554 -6.515 -12.156 7.556 1.00 0.00 C ATOM 55 CD1 TRP A 554 -5.915 -11.163 8.287 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.820 -13.364 7.881 1.00 0.00 C ATOM 57 NE1 TRP A 554 -4.895 -11.689 9.042 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.810 -13.037 8.799 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.959 -14.694 7.472 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.941 -13.992 9.318 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.099 -15.639 7.988 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.094 -15.285 8.898 1.00 0.00 C ATOM 0 HA TRP A 554 -6.482 -11.528 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.525 -11.577 7.159 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.018 -13.035 6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.202 -10.122 8.271 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.298 -11.163 9.680 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.726 -14.975 6.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.173 -13.722 10.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.201 -16.671 7.686 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.428 -16.047 9.275 1.00 0.00 H new ATOM 73 N THR A 555 -8.153 -12.109 3.188 1.00 0.00 N ATOM 74 CA THR A 555 -9.081 -12.506 2.121 1.00 0.00 C ATOM 75 C THR A 555 -9.668 -13.895 2.421 1.00 0.00 C ATOM 76 O THR A 555 -9.164 -14.596 3.309 1.00 0.00 O ATOM 77 CB THR A 555 -8.372 -12.509 0.727 1.00 0.00 C ATOM 78 OG1 THR A 555 -7.269 -13.423 0.722 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.867 -11.109 0.347 1.00 0.00 C ATOM 0 H THR A 555 -7.184 -12.368 3.003 1.00 0.00 H new ATOM 0 HA THR A 555 -9.890 -11.776 2.086 1.00 0.00 H new ATOM 0 HB THR A 555 -9.113 -12.825 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 555 -6.543 -13.062 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 555 -7.380 -11.150 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.709 -10.418 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 555 -7.153 -10.764 1.095 1.00 0.00 H new ATOM 87 N THR A 556 -10.714 -14.282 1.662 1.00 0.00 N ATOM 88 CA THR A 556 -11.410 -15.578 1.818 1.00 0.00 C ATOM 89 C THR A 556 -10.426 -16.765 1.779 1.00 0.00 C ATOM 90 O THR A 556 -10.511 -17.663 2.619 1.00 0.00 O ATOM 91 CB THR A 556 -12.478 -15.773 0.694 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.368 -14.652 0.676 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.296 -17.073 0.865 1.00 0.00 C ATOM 0 H THR A 556 -11.102 -13.701 0.919 1.00 0.00 H new ATOM 0 HA THR A 556 -11.897 -15.557 2.793 1.00 0.00 H new ATOM 0 HB THR A 556 -11.938 -15.850 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 556 -14.036 -14.776 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.022 -17.155 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.625 -17.931 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.819 -17.051 1.821 1.00 0.00 H new ATOM 101 N GLU A 557 -9.468 -16.724 0.822 1.00 0.00 N ATOM 102 CA GLU A 557 -8.494 -17.821 0.603 1.00 0.00 C ATOM 103 C GLU A 557 -7.568 -18.004 1.827 1.00 0.00 C ATOM 104 O GLU A 557 -7.280 -19.127 2.229 1.00 0.00 O ATOM 105 CB GLU A 557 -7.667 -17.576 -0.688 1.00 0.00 C ATOM 106 CG GLU A 557 -6.806 -16.299 -0.678 1.00 0.00 C ATOM 107 CD GLU A 557 -5.989 -16.108 -1.961 1.00 0.00 C ATOM 108 OE1 GLU A 557 -6.529 -15.552 -2.940 1.00 0.00 O ATOM 109 OE2 GLU A 557 -4.809 -16.516 -2.004 1.00 0.00 O ATOM 0 H GLU A 557 -9.349 -15.936 0.185 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.058 -18.745 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -7.015 -18.434 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.351 -17.528 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.454 -15.434 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.128 -16.333 0.175 1.00 0.00 H new ATOM 116 N GLU A 558 -7.160 -16.882 2.437 1.00 0.00 N ATOM 117 CA GLU A 558 -6.243 -16.865 3.599 1.00 0.00 C ATOM 118 C GLU A 558 -6.988 -17.266 4.879 1.00 0.00 C ATOM 119 O GLU A 558 -6.418 -17.911 5.767 1.00 0.00 O ATOM 120 CB GLU A 558 -5.627 -15.454 3.753 1.00 0.00 C ATOM 121 CG GLU A 558 -4.931 -14.952 2.483 1.00 0.00 C ATOM 122 CD GLU A 558 -4.338 -13.552 2.650 1.00 0.00 C ATOM 123 OE1 GLU A 558 -5.107 -12.569 2.670 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.111 -13.434 2.784 1.00 0.00 O ATOM 0 H GLU A 558 -7.456 -15.952 2.140 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.444 -17.587 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -6.413 -14.751 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.908 -15.467 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -4.138 -15.648 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -5.646 -14.944 1.661 1.00 0.00 H new ATOM 131 N GLN A 559 -8.274 -16.867 4.945 1.00 0.00 N ATOM 132 CA GLN A 559 -9.163 -17.140 6.086 1.00 0.00 C ATOM 133 C GLN A 559 -9.443 -18.632 6.224 1.00 0.00 C ATOM 134 O GLN A 559 -9.219 -19.203 7.287 1.00 0.00 O ATOM 135 CB GLN A 559 -10.495 -16.344 5.961 1.00 0.00 C ATOM 136 CG GLN A 559 -10.424 -14.870 6.401 1.00 0.00 C ATOM 137 CD GLN A 559 -10.458 -14.628 7.928 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.044 -13.660 8.377 1.00 0.00 O ATOM 139 NE2 GLN A 559 -9.816 -15.474 8.743 1.00 0.00 N ATOM 0 H GLN A 559 -8.727 -16.341 4.198 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.650 -16.807 6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -10.825 -16.381 4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -11.257 -16.847 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -9.508 -14.434 6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.257 -14.333 5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -9.328 -16.282 8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -9.815 -15.310 9.750 1.00 0.00 H new ATOM 148 N LYS A 560 -9.914 -19.257 5.130 1.00 0.00 N ATOM 149 CA LYS A 560 -10.230 -20.701 5.111 1.00 0.00 C ATOM 150 C LYS A 560 -8.975 -21.559 5.417 1.00 0.00 C ATOM 151 O LYS A 560 -9.096 -22.611 6.037 1.00 0.00 O ATOM 152 CB LYS A 560 -10.850 -21.144 3.754 1.00 0.00 C ATOM 153 CG LYS A 560 -9.954 -20.857 2.525 1.00 0.00 C ATOM 154 CD LYS A 560 -10.337 -21.668 1.266 1.00 0.00 C ATOM 155 CE LYS A 560 -10.124 -23.182 1.464 1.00 0.00 C ATOM 156 NZ LYS A 560 -10.178 -23.936 0.194 1.00 0.00 N ATOM 0 H LYS A 560 -10.086 -18.784 4.243 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.970 -20.865 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.060 -22.213 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.805 -20.636 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -10.007 -19.794 2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -8.918 -21.075 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.381 -21.479 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -9.741 -21.326 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -9.158 -23.350 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -10.885 -23.566 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -10.029 -24.948 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -11.108 -23.801 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -9.435 -23.591 -0.446 1.00 0.00 H new ATOM 170 N LEU A 561 -7.779 -21.087 4.972 1.00 0.00 N ATOM 171 CA LEU A 561 -6.478 -21.747 5.265 1.00 0.00 C ATOM 172 C LEU A 561 -6.143 -21.663 6.767 1.00 0.00 C ATOM 173 O LEU A 561 -5.641 -22.629 7.342 1.00 0.00 O ATOM 174 CB LEU A 561 -5.335 -21.114 4.421 1.00 0.00 C ATOM 175 CG LEU A 561 -5.341 -21.445 2.898 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.249 -20.642 2.148 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.210 -22.967 2.655 1.00 0.00 C ATOM 0 H LEU A 561 -7.690 -20.244 4.404 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.568 -22.798 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.383 -20.031 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.381 -21.437 4.838 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.304 -21.138 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.276 -20.893 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.432 -19.575 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.269 -20.892 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.217 -23.166 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.274 -23.325 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.046 -23.484 3.126 1.00 0.00 H new ATOM 189 N LEU A 562 -6.435 -20.495 7.381 1.00 0.00 N ATOM 190 CA LEU A 562 -6.218 -20.274 8.826 1.00 0.00 C ATOM 191 C LEU A 562 -7.128 -21.213 9.639 1.00 0.00 C ATOM 192 O LEU A 562 -6.654 -21.968 10.481 1.00 0.00 O ATOM 193 CB LEU A 562 -6.501 -18.788 9.206 1.00 0.00 C ATOM 194 CG LEU A 562 -6.359 -18.420 10.722 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.912 -18.613 11.229 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.882 -16.992 11.001 1.00 0.00 C ATOM 0 H LEU A 562 -6.824 -19.687 6.894 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.176 -20.493 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.823 -18.154 8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.513 -18.540 8.887 1.00 0.00 H new ATOM 0 HG LEU A 562 -6.983 -19.113 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.858 -18.347 12.285 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.618 -19.655 11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.238 -17.974 10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.771 -16.764 12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.310 -16.274 10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.935 -16.930 10.725 1.00 0.00 H new ATOM 208 N GLU A 563 -8.429 -21.183 9.298 1.00 0.00 N ATOM 209 CA GLU A 563 -9.510 -21.861 10.044 1.00 0.00 C ATOM 210 C GLU A 563 -9.391 -23.387 9.955 1.00 0.00 C ATOM 211 O GLU A 563 -9.540 -24.075 10.963 1.00 0.00 O ATOM 212 CB GLU A 563 -10.894 -21.363 9.537 1.00 0.00 C ATOM 213 CG GLU A 563 -11.097 -19.850 9.738 1.00 0.00 C ATOM 214 CD GLU A 563 -12.443 -19.330 9.217 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.440 -19.383 9.967 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.518 -18.863 8.057 1.00 0.00 O ATOM 0 H GLU A 563 -8.767 -20.677 8.480 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.414 -21.604 11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.994 -21.600 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.683 -21.903 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.016 -19.620 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.292 -19.315 9.234 1.00 0.00 H new ATOM 223 N GLN A 564 -9.078 -23.905 8.749 1.00 0.00 N ATOM 224 CA GLN A 564 -8.893 -25.357 8.532 1.00 0.00 C ATOM 225 C GLN A 564 -7.643 -25.846 9.288 1.00 0.00 C ATOM 226 O GLN A 564 -7.599 -26.989 9.740 1.00 0.00 O ATOM 227 CB GLN A 564 -8.790 -25.715 7.019 1.00 0.00 C ATOM 228 CG GLN A 564 -7.467 -25.296 6.324 1.00 0.00 C ATOM 229 CD GLN A 564 -7.438 -25.558 4.816 1.00 0.00 C ATOM 230 OE1 GLN A 564 -8.465 -25.505 4.137 1.00 0.00 O ATOM 231 NE2 GLN A 564 -6.260 -25.839 4.286 1.00 0.00 N ATOM 0 H GLN A 564 -8.948 -23.340 7.910 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.774 -25.865 8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.913 -26.792 6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -9.621 -25.244 6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.298 -24.234 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -6.640 -25.831 6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -5.430 -25.875 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -6.181 -26.020 3.285 1.00 0.00 H new ATOM 240 N ALA A 565 -6.639 -24.945 9.433 1.00 0.00 N ATOM 241 CA ALA A 565 -5.386 -25.231 10.159 1.00 0.00 C ATOM 242 C ALA A 565 -5.602 -25.167 11.690 1.00 0.00 C ATOM 243 O ALA A 565 -4.894 -25.819 12.451 1.00 0.00 O ATOM 244 CB ALA A 565 -4.296 -24.241 9.723 1.00 0.00 C ATOM 0 H ALA A 565 -6.680 -24.001 9.048 1.00 0.00 H new ATOM 0 HA ALA A 565 -5.065 -26.243 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.373 -24.456 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.122 -24.340 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.618 -23.224 9.946 1.00 0.00 H new ATOM 250 N LEU A 566 -6.576 -24.350 12.125 1.00 0.00 N ATOM 251 CA LEU A 566 -7.013 -24.294 13.535 1.00 0.00 C ATOM 252 C LEU A 566 -7.735 -25.604 13.917 1.00 0.00 C ATOM 253 O LEU A 566 -7.696 -26.025 15.072 1.00 0.00 O ATOM 254 CB LEU A 566 -7.945 -23.071 13.753 1.00 0.00 C ATOM 255 CG LEU A 566 -7.284 -21.666 13.558 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.346 -20.543 13.471 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.237 -21.389 14.665 1.00 0.00 C ATOM 0 H LEU A 566 -7.083 -23.711 11.513 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.139 -24.182 14.177 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.787 -23.153 13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.351 -23.123 14.763 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.757 -21.674 12.604 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.849 -19.582 13.336 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.007 -20.732 12.625 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.931 -20.523 14.391 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.792 -20.407 14.507 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.723 -21.415 15.640 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.458 -22.150 14.628 1.00 0.00 H new ATOM 269 N LYS A 567 -8.386 -26.227 12.918 1.00 0.00 N ATOM 270 CA LYS A 567 -9.119 -27.499 13.074 1.00 0.00 C ATOM 271 C LYS A 567 -8.165 -28.707 12.961 1.00 0.00 C ATOM 272 O LYS A 567 -8.336 -29.707 13.669 1.00 0.00 O ATOM 273 CB LYS A 567 -10.235 -27.581 11.996 1.00 0.00 C ATOM 274 CG LYS A 567 -11.282 -26.448 12.092 1.00 0.00 C ATOM 275 CD LYS A 567 -12.182 -26.350 10.836 1.00 0.00 C ATOM 276 CE LYS A 567 -13.075 -27.586 10.636 1.00 0.00 C ATOM 277 NZ LYS A 567 -14.076 -27.738 11.720 1.00 0.00 N ATOM 0 H LYS A 567 -8.419 -25.858 11.968 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.570 -27.529 14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.775 -27.555 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.743 -28.541 12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.908 -26.612 12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -10.769 -25.498 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.811 -25.464 10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -11.554 -26.217 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.589 -27.509 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -12.451 -28.479 10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -14.698 -28.544 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -13.587 -27.906 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -14.645 -26.871 11.791 1.00 0.00 H new ATOM 291 N THR A 568 -7.165 -28.605 12.057 1.00 0.00 N ATOM 292 CA THR A 568 -6.180 -29.683 11.819 1.00 0.00 C ATOM 293 C THR A 568 -5.185 -29.765 12.987 1.00 0.00 C ATOM 294 O THR A 568 -4.975 -30.837 13.573 1.00 0.00 O ATOM 295 CB THR A 568 -5.411 -29.462 10.470 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.344 -29.431 9.386 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.358 -30.557 10.198 1.00 0.00 C ATOM 0 H THR A 568 -7.019 -27.779 11.476 1.00 0.00 H new ATOM 0 HA THR A 568 -6.725 -30.625 11.749 1.00 0.00 H new ATOM 0 HB THR A 568 -4.883 -28.512 10.555 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.853 -28.594 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.857 -30.353 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.623 -30.564 11.003 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.849 -31.529 10.147 1.00 0.00 H new ATOM 305 N TYR A 569 -4.584 -28.615 13.316 1.00 0.00 N ATOM 306 CA TYR A 569 -3.629 -28.491 14.430 1.00 0.00 C ATOM 307 C TYR A 569 -4.403 -27.982 15.652 1.00 0.00 C ATOM 308 O TYR A 569 -4.824 -26.810 15.653 1.00 0.00 O ATOM 309 CB TYR A 569 -2.470 -27.508 14.073 1.00 0.00 C ATOM 310 CG TYR A 569 -1.942 -27.682 12.647 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.381 -28.892 12.227 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.055 -26.659 11.708 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.946 -29.061 10.931 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.631 -26.830 10.408 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.078 -28.032 10.027 1.00 0.00 C ATOM 316 OH TYR A 569 -0.659 -28.205 8.736 1.00 0.00 O ATOM 0 H TYR A 569 -4.745 -27.740 12.817 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.175 -29.460 14.638 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.820 -26.484 14.200 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.650 -27.654 14.776 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.287 -29.707 12.930 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.483 -25.713 12.005 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.503 -29.997 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.732 -26.027 9.693 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.824 -27.385 8.226 1.00 0.00 H new ATOM 326 N PRO A 570 -4.648 -28.847 16.695 1.00 0.00 N ATOM 327 CA PRO A 570 -5.351 -28.424 17.932 1.00 0.00 C ATOM 328 C PRO A 570 -4.564 -27.342 18.698 1.00 0.00 C ATOM 329 O PRO A 570 -3.385 -27.085 18.399 1.00 0.00 O ATOM 330 CB PRO A 570 -5.472 -29.745 18.757 1.00 0.00 C ATOM 331 CG PRO A 570 -4.380 -30.625 18.227 1.00 0.00 C ATOM 332 CD PRO A 570 -4.268 -30.290 16.752 1.00 0.00 C ATOM 0 HA PRO A 570 -6.319 -27.966 17.727 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -5.348 -29.559 19.824 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.451 -30.206 18.626 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.439 -30.437 18.744 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -4.619 -31.678 18.373 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.257 -30.454 16.378 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.935 -30.905 16.148 1.00 0.00 H new ATOM 340 N VAL A 571 -5.222 -26.715 19.685 1.00 0.00 N ATOM 341 CA VAL A 571 -4.593 -25.681 20.536 1.00 0.00 C ATOM 342 C VAL A 571 -3.422 -26.280 21.358 1.00 0.00 C ATOM 343 O VAL A 571 -2.459 -25.581 21.691 1.00 0.00 O ATOM 344 CB VAL A 571 -5.650 -24.996 21.479 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.334 -26.024 22.431 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.014 -23.806 22.253 1.00 0.00 C ATOM 0 H VAL A 571 -6.197 -26.905 19.918 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.188 -24.911 19.879 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.442 -24.589 20.851 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.056 -25.509 23.064 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.846 -26.783 21.839 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.578 -26.500 23.056 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.764 -23.349 22.898 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.185 -24.169 22.861 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.646 -23.065 21.543 1.00 0.00 H new ATOM 356 N ASN A 572 -3.499 -27.604 21.604 1.00 0.00 N ATOM 357 CA ASN A 572 -2.483 -28.364 22.369 1.00 0.00 C ATOM 358 C ASN A 572 -1.230 -28.689 21.516 1.00 0.00 C ATOM 359 O ASN A 572 -0.371 -29.459 21.954 1.00 0.00 O ATOM 360 CB ASN A 572 -3.109 -29.671 22.934 1.00 0.00 C ATOM 361 CG ASN A 572 -4.235 -29.404 23.929 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.404 -29.327 23.556 1.00 0.00 O ATOM 363 ND2 ASN A 572 -3.890 -29.229 25.200 1.00 0.00 N ATOM 0 H ASN A 572 -4.273 -28.182 21.276 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.154 -27.733 23.195 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.494 -30.271 22.109 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.332 -30.260 23.421 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -4.604 -29.024 25.899 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -2.911 -29.300 25.477 1.00 0.00 H new ATOM 370 N THR A 573 -1.134 -28.108 20.300 1.00 0.00 N ATOM 371 CA THR A 573 0.061 -28.235 19.440 1.00 0.00 C ATOM 372 C THR A 573 1.048 -27.084 19.765 1.00 0.00 C ATOM 373 O THR A 573 0.700 -25.918 19.558 1.00 0.00 O ATOM 374 CB THR A 573 -0.319 -28.191 17.917 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.374 -29.122 17.653 1.00 0.00 O ATOM 376 CG2 THR A 573 0.885 -28.523 17.016 1.00 0.00 C ATOM 0 H THR A 573 -1.877 -27.542 19.890 1.00 0.00 H new ATOM 0 HA THR A 573 0.527 -29.199 19.641 1.00 0.00 H new ATOM 0 HB THR A 573 -0.645 -27.176 17.689 1.00 0.00 H new ATOM 0 HG1 THR A 573 -2.239 -28.695 17.828 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.579 -28.482 15.971 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.681 -27.799 17.190 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.248 -29.524 17.248 1.00 0.00 H new ATOM 384 N PRO A 574 2.285 -27.386 20.293 1.00 0.00 N ATOM 385 CA PRO A 574 3.315 -26.344 20.595 1.00 0.00 C ATOM 386 C PRO A 574 3.829 -25.637 19.317 1.00 0.00 C ATOM 387 O PRO A 574 4.328 -24.504 19.372 1.00 0.00 O ATOM 388 CB PRO A 574 4.454 -27.144 21.307 1.00 0.00 C ATOM 389 CG PRO A 574 3.816 -28.440 21.719 1.00 0.00 C ATOM 390 CD PRO A 574 2.785 -28.740 20.655 1.00 0.00 C ATOM 0 HA PRO A 574 2.916 -25.537 21.209 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.296 -27.314 20.636 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.838 -26.601 22.170 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.556 -29.238 21.785 1.00 0.00 H new ATOM 0 HG3 PRO A 574 3.352 -28.354 22.702 1.00 0.00 H new ATOM 0 HD2 PRO A 574 3.224 -29.252 19.799 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.987 -29.379 21.033 1.00 0.00 H new ATOM 398 N GLU A 575 3.696 -26.332 18.169 1.00 0.00 N ATOM 399 CA GLU A 575 4.135 -25.834 16.851 1.00 0.00 C ATOM 400 C GLU A 575 2.907 -25.451 15.999 1.00 0.00 C ATOM 401 O GLU A 575 3.016 -25.399 14.770 1.00 0.00 O ATOM 402 CB GLU A 575 4.997 -26.907 16.086 1.00 0.00 C ATOM 403 CG GLU A 575 5.867 -27.852 16.960 1.00 0.00 C ATOM 404 CD GLU A 575 5.100 -29.028 17.603 1.00 0.00 C ATOM 405 OE1 GLU A 575 4.038 -29.437 17.080 1.00 0.00 O ATOM 406 OE2 GLU A 575 5.557 -29.550 18.639 1.00 0.00 O ATOM 0 H GLU A 575 3.278 -27.262 18.131 1.00 0.00 H new ATOM 0 HA GLU A 575 4.758 -24.955 17.016 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.324 -27.520 15.487 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.654 -26.384 15.392 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.672 -28.255 16.345 1.00 0.00 H new ATOM 0 HG3 GLU A 575 6.334 -27.265 17.751 1.00 0.00 H new ATOM 413 N ARG A 576 1.754 -25.162 16.663 1.00 0.00 N ATOM 414 CA ARG A 576 0.455 -24.902 15.975 1.00 0.00 C ATOM 415 C ARG A 576 0.615 -23.823 14.895 1.00 0.00 C ATOM 416 O ARG A 576 0.427 -24.084 13.712 1.00 0.00 O ATOM 417 CB ARG A 576 -0.656 -24.447 16.976 1.00 0.00 C ATOM 418 CG ARG A 576 -2.094 -24.471 16.392 1.00 0.00 C ATOM 419 CD ARG A 576 -3.124 -23.820 17.322 1.00 0.00 C ATOM 420 NE ARG A 576 -4.512 -24.116 16.919 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.604 -23.670 17.543 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.509 -22.810 18.560 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.794 -24.090 17.154 1.00 0.00 N ATOM 0 H ARG A 576 1.697 -25.103 17.680 1.00 0.00 H new ATOM 0 HA ARG A 576 0.152 -25.844 15.518 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.623 -25.092 17.854 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.431 -23.436 17.314 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.100 -23.954 15.432 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.386 -25.503 16.200 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -2.962 -24.171 18.341 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.973 -22.741 17.328 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.648 -24.708 16.099 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.593 -22.485 18.869 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.353 -22.478 19.027 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.874 -24.751 16.381 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.633 -23.753 17.626 1.00 0.00 H new ATOM 437 N TRP A 577 1.058 -22.643 15.344 1.00 0.00 N ATOM 438 CA TRP A 577 1.162 -21.435 14.506 1.00 0.00 C ATOM 439 C TRP A 577 2.312 -21.538 13.482 1.00 0.00 C ATOM 440 O TRP A 577 2.264 -20.894 12.429 1.00 0.00 O ATOM 441 CB TRP A 577 1.313 -20.193 15.423 1.00 0.00 C ATOM 442 CG TRP A 577 0.208 -20.087 16.453 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.283 -20.390 17.788 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.144 -19.684 16.212 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.932 -20.193 18.382 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.827 -19.770 17.437 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.846 -19.268 15.076 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.171 -19.441 17.563 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.179 -18.947 15.201 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.832 -19.041 16.435 1.00 0.00 C ATOM 0 H TRP A 577 1.358 -22.495 16.308 1.00 0.00 H new ATOM 0 HA TRP A 577 0.249 -21.334 13.919 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.275 -20.238 15.933 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.319 -19.292 14.809 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.172 -20.734 18.296 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.138 -20.338 19.370 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.351 -19.200 14.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.675 -19.499 18.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.730 -18.617 14.332 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.881 -18.792 16.498 1.00 0.00 H new ATOM 461 N LYS A 578 3.317 -22.378 13.790 1.00 0.00 N ATOM 462 CA LYS A 578 4.456 -22.678 12.882 1.00 0.00 C ATOM 463 C LYS A 578 3.950 -23.457 11.651 1.00 0.00 C ATOM 464 O LYS A 578 4.358 -23.205 10.518 1.00 0.00 O ATOM 465 CB LYS A 578 5.568 -23.509 13.608 1.00 0.00 C ATOM 466 CG LYS A 578 6.451 -22.722 14.609 1.00 0.00 C ATOM 467 CD LYS A 578 5.667 -22.154 15.820 1.00 0.00 C ATOM 468 CE LYS A 578 6.546 -21.320 16.763 1.00 0.00 C ATOM 469 NZ LYS A 578 7.168 -20.162 16.071 1.00 0.00 N ATOM 0 H LYS A 578 3.368 -22.874 14.680 1.00 0.00 H new ATOM 0 HA LYS A 578 4.893 -21.730 12.568 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.091 -24.331 14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.216 -23.953 12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.242 -23.377 14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.936 -21.899 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.845 -21.537 15.457 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.224 -22.978 16.379 1.00 0.00 H new ATOM 0 HE2 LYS A 578 5.943 -20.962 17.597 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.328 -21.953 17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.596 -19.527 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.903 -20.502 15.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.441 -19.646 15.536 1.00 0.00 H new ATOM 483 N LYS A 579 3.044 -24.401 11.917 1.00 0.00 N ATOM 484 CA LYS A 579 2.411 -25.243 10.889 1.00 0.00 C ATOM 485 C LYS A 579 1.307 -24.464 10.154 1.00 0.00 C ATOM 486 O LYS A 579 0.992 -24.756 8.996 1.00 0.00 O ATOM 487 CB LYS A 579 1.858 -26.517 11.569 1.00 0.00 C ATOM 488 CG LYS A 579 2.947 -27.396 12.221 1.00 0.00 C ATOM 489 CD LYS A 579 2.376 -28.507 13.132 1.00 0.00 C ATOM 490 CE LYS A 579 3.472 -29.445 13.675 1.00 0.00 C ATOM 491 NZ LYS A 579 2.932 -30.439 14.625 1.00 0.00 N ATOM 0 H LYS A 579 2.723 -24.608 12.863 1.00 0.00 H new ATOM 0 HA LYS A 579 3.145 -25.533 10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.134 -26.226 12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.321 -27.109 10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.551 -27.854 11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.612 -26.762 12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.846 -28.051 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.646 -29.092 12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.951 -29.962 12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 579 4.243 -28.853 14.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.252 -30.209 15.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 1.893 -30.422 14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 3.271 -31.387 14.365 1.00 0.00 H new ATOM 505 N ILE A 580 0.719 -23.467 10.845 1.00 0.00 N ATOM 506 CA ILE A 580 -0.248 -22.516 10.254 1.00 0.00 C ATOM 507 C ILE A 580 0.473 -21.542 9.298 1.00 0.00 C ATOM 508 O ILE A 580 -0.137 -21.011 8.376 1.00 0.00 O ATOM 509 CB ILE A 580 -1.052 -21.754 11.383 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.968 -22.765 12.150 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.873 -20.555 10.844 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.781 -22.184 13.294 1.00 0.00 C ATOM 0 H ILE A 580 0.902 -23.297 11.834 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.976 -23.075 9.667 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.322 -21.328 12.071 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.654 -23.219 11.435 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.343 -23.566 12.544 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.401 -20.076 11.668 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.201 -19.835 10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.595 -20.910 10.108 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.378 -22.972 13.753 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.109 -21.758 14.038 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.441 -21.405 12.912 1.00 0.00 H new ATOM 524 N ALA A 581 1.780 -21.296 9.538 1.00 0.00 N ATOM 525 CA ALA A 581 2.646 -20.549 8.585 1.00 0.00 C ATOM 526 C ALA A 581 2.755 -21.274 7.230 1.00 0.00 C ATOM 527 O ALA A 581 2.837 -20.635 6.178 1.00 0.00 O ATOM 528 CB ALA A 581 4.050 -20.331 9.183 1.00 0.00 C ATOM 0 H ALA A 581 2.263 -21.602 10.383 1.00 0.00 H new ATOM 0 HA ALA A 581 2.179 -19.579 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.668 -19.783 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 581 3.967 -19.759 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.509 -21.297 9.394 1.00 0.00 H new ATOM 534 N GLU A 582 2.770 -22.617 7.286 1.00 0.00 N ATOM 535 CA GLU A 582 2.832 -23.485 6.097 1.00 0.00 C ATOM 536 C GLU A 582 1.461 -23.528 5.397 1.00 0.00 C ATOM 537 O GLU A 582 1.376 -23.584 4.163 1.00 0.00 O ATOM 538 CB GLU A 582 3.302 -24.904 6.521 1.00 0.00 C ATOM 539 CG GLU A 582 4.640 -24.917 7.288 1.00 0.00 C ATOM 540 CD GLU A 582 5.110 -26.335 7.653 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.799 -26.978 6.822 1.00 0.00 O ATOM 542 OE2 GLU A 582 4.800 -26.816 8.771 1.00 0.00 O ATOM 0 H GLU A 582 2.739 -23.135 8.164 1.00 0.00 H new ATOM 0 HA GLU A 582 3.551 -23.083 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.533 -25.359 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.399 -25.525 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.405 -24.432 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.535 -24.329 8.200 1.00 0.00 H new ATOM 549 N ALA A 583 0.390 -23.468 6.203 1.00 0.00 N ATOM 550 CA ALA A 583 -0.994 -23.478 5.697 1.00 0.00 C ATOM 551 C ALA A 583 -1.371 -22.115 5.078 1.00 0.00 C ATOM 552 O ALA A 583 -2.044 -22.064 4.048 1.00 0.00 O ATOM 553 CB ALA A 583 -1.962 -23.840 6.831 1.00 0.00 C ATOM 0 H ALA A 583 0.456 -23.411 7.219 1.00 0.00 H new ATOM 0 HA ALA A 583 -1.068 -24.231 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.983 -23.845 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.714 -24.828 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.877 -23.104 7.631 1.00 0.00 H new ATOM 559 N VAL A 584 -0.895 -21.020 5.710 1.00 0.00 N ATOM 560 CA VAL A 584 -1.246 -19.628 5.347 1.00 0.00 C ATOM 561 C VAL A 584 0.057 -18.875 4.986 1.00 0.00 C ATOM 562 O VAL A 584 0.795 -18.462 5.892 1.00 0.00 O ATOM 563 CB VAL A 584 -1.981 -18.857 6.517 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.565 -17.516 6.003 1.00 0.00 C ATOM 565 CG2 VAL A 584 -3.064 -19.731 7.179 1.00 0.00 C ATOM 0 H VAL A 584 -0.248 -21.078 6.496 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.936 -19.666 4.504 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.243 -18.630 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.067 -17.000 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.758 -16.891 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.281 -17.713 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.547 -19.169 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.807 -20.015 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.604 -20.628 7.594 1.00 0.00 H new ATOM 575 N PRO A 585 0.385 -18.720 3.666 1.00 0.00 N ATOM 576 CA PRO A 585 1.628 -18.047 3.223 1.00 0.00 C ATOM 577 C PRO A 585 1.524 -16.504 3.311 1.00 0.00 C ATOM 578 O PRO A 585 0.455 -15.922 3.062 1.00 0.00 O ATOM 579 CB PRO A 585 1.775 -18.532 1.759 1.00 0.00 C ATOM 580 CG PRO A 585 0.359 -18.723 1.287 1.00 0.00 C ATOM 581 CD PRO A 585 -0.428 -19.183 2.504 1.00 0.00 C ATOM 0 HA PRO A 585 2.488 -18.289 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.303 -17.799 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.342 -19.461 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.048 -17.794 0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.310 -19.463 0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.427 -18.748 2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.552 -20.266 2.512 1.00 0.00 H new ATOM 589 N GLY A 586 2.638 -15.862 3.725 1.00 0.00 N ATOM 590 CA GLY A 586 2.769 -14.399 3.742 1.00 0.00 C ATOM 591 C GLY A 586 2.287 -13.749 5.041 1.00 0.00 C ATOM 592 O GLY A 586 2.878 -12.762 5.506 1.00 0.00 O ATOM 0 H GLY A 586 3.470 -16.350 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 586 3.814 -14.136 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 586 2.204 -13.984 2.908 1.00 0.00 H new ATOM 596 N ARG A 587 1.202 -14.295 5.614 1.00 0.00 N ATOM 597 CA ARG A 587 0.641 -13.810 6.887 1.00 0.00 C ATOM 598 C ARG A 587 1.525 -14.247 8.056 1.00 0.00 C ATOM 599 O ARG A 587 1.905 -15.421 8.148 1.00 0.00 O ATOM 600 CB ARG A 587 -0.804 -14.342 7.090 1.00 0.00 C ATOM 601 CG ARG A 587 -1.837 -13.802 6.081 1.00 0.00 C ATOM 602 CD ARG A 587 -2.033 -12.282 6.202 1.00 0.00 C ATOM 603 NE ARG A 587 -3.008 -11.781 5.223 1.00 0.00 N ATOM 604 CZ ARG A 587 -3.222 -10.498 4.936 1.00 0.00 C ATOM 605 NH1 ARG A 587 -2.560 -9.537 5.565 1.00 0.00 N ATOM 606 NH2 ARG A 587 -4.086 -10.173 3.997 1.00 0.00 N ATOM 0 H ARG A 587 0.691 -15.081 5.211 1.00 0.00 H new ATOM 0 HA ARG A 587 0.609 -12.721 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.788 -15.430 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.132 -14.087 8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.514 -14.045 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.792 -14.303 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.370 -12.037 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.077 -11.779 6.055 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.566 -12.472 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -1.874 -9.775 6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -2.737 -8.560 5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.589 -10.903 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -4.252 -9.192 3.775 1.00 0.00 H new ATOM 620 N THR A 588 1.838 -13.296 8.945 1.00 0.00 N ATOM 621 CA THR A 588 2.667 -13.556 10.125 1.00 0.00 C ATOM 622 C THR A 588 1.811 -14.124 11.269 1.00 0.00 C ATOM 623 O THR A 588 0.577 -14.033 11.252 1.00 0.00 O ATOM 624 CB THR A 588 3.444 -12.274 10.567 1.00 0.00 C ATOM 625 OG1 THR A 588 2.529 -11.208 10.819 1.00 0.00 O ATOM 626 CG2 THR A 588 4.468 -11.823 9.504 1.00 0.00 C ATOM 0 H THR A 588 1.524 -12.329 8.866 1.00 0.00 H new ATOM 0 HA THR A 588 3.413 -14.306 9.861 1.00 0.00 H new ATOM 0 HB THR A 588 3.988 -12.525 11.478 1.00 0.00 H new ATOM 0 HG1 THR A 588 3.025 -10.410 11.097 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.985 -10.929 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 588 5.193 -12.619 9.337 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.950 -11.602 8.571 1.00 0.00 H new ATOM 634 N LYS A 589 2.476 -14.778 12.221 1.00 0.00 N ATOM 635 CA LYS A 589 1.797 -15.525 13.293 1.00 0.00 C ATOM 636 C LYS A 589 1.076 -14.595 14.272 1.00 0.00 C ATOM 637 O LYS A 589 0.057 -14.977 14.838 1.00 0.00 O ATOM 638 CB LYS A 589 2.798 -16.465 14.000 1.00 0.00 C ATOM 639 CG LYS A 589 3.057 -17.831 13.295 1.00 0.00 C ATOM 640 CD LYS A 589 3.505 -17.759 11.797 1.00 0.00 C ATOM 641 CE LYS A 589 2.332 -17.639 10.782 1.00 0.00 C ATOM 642 NZ LYS A 589 1.291 -18.680 10.995 1.00 0.00 N ATOM 0 H LYS A 589 3.494 -14.808 12.276 1.00 0.00 H new ATOM 0 HA LYS A 589 1.019 -16.142 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.750 -15.943 14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.434 -16.661 15.009 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.822 -18.367 13.856 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.145 -18.425 13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.169 -16.904 11.669 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.085 -18.651 11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 589 1.878 -16.652 10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.723 -17.721 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.004 -19.077 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 1.675 -19.438 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.465 -18.254 11.462 1.00 0.00 H new ATOM 656 N LYS A 590 1.590 -13.369 14.415 1.00 0.00 N ATOM 657 CA LYS A 590 0.933 -12.293 15.176 1.00 0.00 C ATOM 658 C LYS A 590 -0.437 -11.941 14.539 1.00 0.00 C ATOM 659 O LYS A 590 -1.421 -11.715 15.261 1.00 0.00 O ATOM 660 CB LYS A 590 1.856 -11.041 15.228 1.00 0.00 C ATOM 661 CG LYS A 590 2.376 -10.593 13.843 1.00 0.00 C ATOM 662 CD LYS A 590 3.298 -9.359 13.886 1.00 0.00 C ATOM 663 CE LYS A 590 2.565 -8.075 14.299 1.00 0.00 C ATOM 664 NZ LYS A 590 3.430 -6.885 14.155 1.00 0.00 N ATOM 0 H LYS A 590 2.481 -13.090 14.004 1.00 0.00 H new ATOM 0 HA LYS A 590 0.755 -12.636 16.195 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.309 -10.216 15.685 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.708 -11.255 15.874 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.916 -11.421 13.384 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.523 -10.374 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 590 4.113 -9.546 14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.747 -9.214 12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.671 -7.952 13.687 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.233 -8.161 15.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.903 -6.036 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 4.270 -6.992 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 3.726 -6.789 13.163 1.00 0.00 H new ATOM 678 N ASP A 591 -0.485 -11.937 13.171 1.00 0.00 N ATOM 679 CA ASP A 591 -1.738 -11.719 12.399 1.00 0.00 C ATOM 680 C ASP A 591 -2.697 -12.878 12.660 1.00 0.00 C ATOM 681 O ASP A 591 -3.877 -12.664 12.889 1.00 0.00 O ATOM 682 CB ASP A 591 -1.499 -11.643 10.853 1.00 0.00 C ATOM 683 CG ASP A 591 -0.490 -10.593 10.382 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.199 -9.633 11.130 1.00 0.00 O ATOM 685 OD2 ASP A 591 0.032 -10.734 9.245 1.00 0.00 O ATOM 0 H ASP A 591 0.336 -12.083 12.584 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.146 -10.764 12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.163 -12.621 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.454 -11.444 10.367 1.00 0.00 H new ATOM 690 N CYS A 592 -2.132 -14.105 12.621 1.00 0.00 N ATOM 691 CA CYS A 592 -2.881 -15.372 12.743 1.00 0.00 C ATOM 692 C CYS A 592 -3.547 -15.513 14.125 1.00 0.00 C ATOM 693 O CYS A 592 -4.678 -15.993 14.221 1.00 0.00 O ATOM 694 CB CYS A 592 -1.934 -16.576 12.478 1.00 0.00 C ATOM 695 SG CYS A 592 -1.148 -16.542 10.852 1.00 0.00 S ATOM 0 H CYS A 592 -1.128 -14.243 12.502 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.675 -15.363 11.996 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.160 -16.593 13.245 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.502 -17.501 12.578 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.342 -15.524 10.781 1.00 0.00 H new ATOM 701 N MET A 593 -2.833 -15.077 15.189 1.00 0.00 N ATOM 702 CA MET A 593 -3.319 -15.169 16.593 1.00 0.00 C ATOM 703 C MET A 593 -4.449 -14.168 16.845 1.00 0.00 C ATOM 704 O MET A 593 -5.494 -14.536 17.376 1.00 0.00 O ATOM 705 CB MET A 593 -2.161 -14.926 17.601 1.00 0.00 C ATOM 706 CG MET A 593 -1.044 -15.969 17.549 1.00 0.00 C ATOM 707 SD MET A 593 0.358 -15.509 18.585 1.00 0.00 S ATOM 708 CE MET A 593 1.640 -16.580 17.948 1.00 0.00 C ATOM 0 H MET A 593 -1.909 -14.653 15.104 1.00 0.00 H new ATOM 0 HA MET A 593 -3.704 -16.178 16.743 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.731 -13.943 17.411 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.573 -14.904 18.610 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.434 -16.934 17.874 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.709 -16.091 16.519 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.261 -16.933 18.771 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.185 -17.433 17.445 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.257 -16.028 17.239 1.00 0.00 H new ATOM 718 N LYS A 594 -4.227 -12.904 16.443 1.00 0.00 N ATOM 719 CA LYS A 594 -5.211 -11.819 16.632 1.00 0.00 C ATOM 720 C LYS A 594 -6.426 -11.997 15.717 1.00 0.00 C ATOM 721 O LYS A 594 -7.526 -11.549 16.053 1.00 0.00 O ATOM 722 CB LYS A 594 -4.562 -10.436 16.395 1.00 0.00 C ATOM 723 CG LYS A 594 -3.518 -10.040 17.459 1.00 0.00 C ATOM 724 CD LYS A 594 -3.033 -8.574 17.317 1.00 0.00 C ATOM 725 CE LYS A 594 -4.178 -7.542 17.467 1.00 0.00 C ATOM 726 NZ LYS A 594 -4.865 -7.630 18.782 1.00 0.00 N ATOM 0 H LYS A 594 -3.368 -12.606 15.981 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.555 -11.870 17.665 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.085 -10.434 15.415 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.345 -9.678 16.370 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -3.947 -10.180 18.451 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -2.661 -10.709 17.385 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -2.270 -8.375 18.070 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -2.561 -8.446 16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -3.774 -6.538 17.340 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -4.906 -7.696 16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -5.587 -6.884 18.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -5.319 -8.561 18.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -4.170 -7.506 19.546 1.00 0.00 H new ATOM 740 N ARG A 595 -6.222 -12.647 14.554 1.00 0.00 N ATOM 741 CA ARG A 595 -7.323 -12.941 13.627 1.00 0.00 C ATOM 742 C ARG A 595 -8.187 -14.055 14.225 1.00 0.00 C ATOM 743 O ARG A 595 -9.390 -13.887 14.349 1.00 0.00 O ATOM 744 CB ARG A 595 -6.818 -13.340 12.217 1.00 0.00 C ATOM 745 CG ARG A 595 -7.915 -13.316 11.128 1.00 0.00 C ATOM 746 CD ARG A 595 -8.532 -11.914 10.975 1.00 0.00 C ATOM 747 NE ARG A 595 -9.501 -11.843 9.878 1.00 0.00 N ATOM 748 CZ ARG A 595 -10.390 -10.858 9.685 1.00 0.00 C ATOM 749 NH1 ARG A 595 -10.497 -9.838 10.538 1.00 0.00 N ATOM 750 NH2 ARG A 595 -11.191 -10.909 8.636 1.00 0.00 N ATOM 0 H ARG A 595 -5.309 -12.975 14.239 1.00 0.00 H new ATOM 0 HA ARG A 595 -7.914 -12.034 13.498 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.015 -12.663 11.925 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.390 -14.341 12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -7.490 -13.633 10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.696 -14.032 11.382 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.022 -11.633 11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -7.738 -11.188 10.801 1.00 0.00 H new ATOM 0 HE ARG A 595 -9.499 -12.608 9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -9.894 -9.795 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.182 -9.101 10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -11.129 -11.691 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -11.872 -10.166 8.478 1.00 0.00 H new ATOM 764 N TYR A 596 -7.525 -15.165 14.641 1.00 0.00 N ATOM 765 CA TYR A 596 -8.177 -16.301 15.347 1.00 0.00 C ATOM 766 C TYR A 596 -8.960 -15.809 16.568 1.00 0.00 C ATOM 767 O TYR A 596 -10.053 -16.305 16.833 1.00 0.00 O ATOM 768 CB TYR A 596 -7.128 -17.377 15.783 1.00 0.00 C ATOM 769 CG TYR A 596 -7.592 -18.358 16.880 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.666 -19.233 16.677 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.956 -18.401 18.128 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.089 -20.101 17.668 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.377 -19.265 19.124 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.439 -20.116 18.889 1.00 0.00 C ATOM 775 OH TYR A 596 -8.864 -20.977 19.886 1.00 0.00 O ATOM 0 H TYR A 596 -6.524 -15.299 14.497 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.873 -16.763 14.647 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.840 -17.954 14.904 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.233 -16.864 16.135 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.176 -19.230 15.725 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.119 -17.745 18.317 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.923 -20.764 17.489 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.877 -19.274 20.081 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.300 -20.863 20.679 1.00 0.00 H new ATOM 785 N LYS A 597 -8.371 -14.844 17.303 1.00 0.00 N ATOM 786 CA LYS A 597 -9.014 -14.218 18.469 1.00 0.00 C ATOM 787 C LYS A 597 -10.368 -13.636 18.058 1.00 0.00 C ATOM 788 O LYS A 597 -11.393 -14.018 18.596 1.00 0.00 O ATOM 789 CB LYS A 597 -8.135 -13.094 19.075 1.00 0.00 C ATOM 790 CG LYS A 597 -8.801 -12.353 20.256 1.00 0.00 C ATOM 791 CD LYS A 597 -8.035 -11.088 20.685 1.00 0.00 C ATOM 792 CE LYS A 597 -8.778 -10.315 21.785 1.00 0.00 C ATOM 793 NZ LYS A 597 -10.175 -9.976 21.386 1.00 0.00 N ATOM 0 H LYS A 597 -7.439 -14.480 17.103 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.149 -14.988 19.228 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.192 -13.524 19.413 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.894 -12.372 18.294 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.818 -12.077 19.977 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.876 -13.031 21.106 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.044 -11.367 21.043 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.890 -10.440 19.820 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.796 -10.911 22.697 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.234 -9.399 22.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -10.446 -9.065 21.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -10.233 -9.907 20.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -10.821 -10.719 21.720 1.00 0.00 H new ATOM 807 N GLU A 598 -10.352 -12.750 17.051 1.00 0.00 N ATOM 808 CA GLU A 598 -11.563 -12.077 16.564 1.00 0.00 C ATOM 809 C GLU A 598 -12.564 -13.075 15.945 1.00 0.00 C ATOM 810 O GLU A 598 -13.766 -12.881 16.073 1.00 0.00 O ATOM 811 CB GLU A 598 -11.191 -10.959 15.558 1.00 0.00 C ATOM 812 CG GLU A 598 -10.301 -9.847 16.156 1.00 0.00 C ATOM 813 CD GLU A 598 -10.887 -9.246 17.444 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.950 -8.591 17.372 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.305 -9.424 18.532 1.00 0.00 O ATOM 0 H GLU A 598 -9.503 -12.481 16.554 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.059 -11.620 17.421 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.675 -11.406 14.708 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.107 -10.510 15.174 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.312 -10.253 16.367 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.170 -9.056 15.418 1.00 0.00 H new ATOM 822 N LEU A 599 -12.059 -14.168 15.317 1.00 0.00 N ATOM 823 CA LEU A 599 -12.915 -15.223 14.728 1.00 0.00 C ATOM 824 C LEU A 599 -13.710 -15.916 15.842 1.00 0.00 C ATOM 825 O LEU A 599 -14.941 -15.933 15.812 1.00 0.00 O ATOM 826 CB LEU A 599 -12.090 -16.283 13.933 1.00 0.00 C ATOM 827 CG LEU A 599 -11.250 -15.765 12.721 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.547 -16.930 11.995 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.094 -14.895 11.758 1.00 0.00 C ATOM 0 H LEU A 599 -11.059 -14.339 15.207 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.591 -14.742 14.021 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.412 -16.776 14.629 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.779 -17.044 13.567 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.471 -15.113 13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -9.970 -16.541 11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.879 -17.441 12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.294 -17.633 11.626 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -11.469 -14.557 10.931 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -12.924 -15.484 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -12.483 -14.030 12.295 1.00 0.00 H new ATOM 841 N VAL A 600 -12.976 -16.417 16.861 1.00 0.00 N ATOM 842 CA VAL A 600 -13.570 -17.192 17.962 1.00 0.00 C ATOM 843 C VAL A 600 -14.457 -16.290 18.844 1.00 0.00 C ATOM 844 O VAL A 600 -15.471 -16.747 19.344 1.00 0.00 O ATOM 845 CB VAL A 600 -12.489 -17.949 18.846 1.00 0.00 C ATOM 846 CG1 VAL A 600 -11.580 -16.978 19.651 1.00 0.00 C ATOM 847 CG2 VAL A 600 -13.167 -18.993 19.778 1.00 0.00 C ATOM 0 H VAL A 600 -11.966 -16.295 16.939 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.188 -17.962 17.501 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.833 -18.479 18.155 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -10.862 -17.553 20.236 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -11.046 -16.324 18.962 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -12.194 -16.376 20.321 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -12.406 -19.498 20.373 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -13.869 -18.487 20.441 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -13.702 -19.727 19.174 1.00 0.00 H new ATOM 857 N GLU A 601 -14.087 -14.993 18.987 1.00 0.00 N ATOM 858 CA GLU A 601 -14.874 -14.017 19.773 1.00 0.00 C ATOM 859 C GLU A 601 -16.208 -13.695 19.073 1.00 0.00 C ATOM 860 O GLU A 601 -17.217 -13.495 19.742 1.00 0.00 O ATOM 861 CB GLU A 601 -14.073 -12.708 20.041 1.00 0.00 C ATOM 862 CG GLU A 601 -12.883 -12.865 21.013 1.00 0.00 C ATOM 863 CD GLU A 601 -13.284 -13.438 22.382 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.940 -12.721 23.168 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.966 -14.609 22.679 1.00 0.00 O ATOM 0 H GLU A 601 -13.245 -14.600 18.566 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.087 -14.479 20.737 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.700 -12.326 19.091 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.754 -11.957 20.441 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.136 -13.517 20.559 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.411 -11.893 21.158 1.00 0.00 H new ATOM 872 N MET A 602 -16.205 -13.662 17.719 1.00 0.00 N ATOM 873 CA MET A 602 -17.439 -13.446 16.925 1.00 0.00 C ATOM 874 C MET A 602 -18.334 -14.700 16.979 1.00 0.00 C ATOM 875 O MET A 602 -19.560 -14.581 17.048 1.00 0.00 O ATOM 876 CB MET A 602 -17.112 -13.074 15.450 1.00 0.00 C ATOM 877 CG MET A 602 -16.487 -11.679 15.256 1.00 0.00 C ATOM 878 SD MET A 602 -16.176 -11.275 13.517 1.00 0.00 S ATOM 879 CE MET A 602 -15.079 -12.601 12.996 1.00 0.00 C ATOM 0 H MET A 602 -15.364 -13.782 17.155 1.00 0.00 H new ATOM 0 HA MET A 602 -17.977 -12.607 17.365 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.430 -13.821 15.045 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.030 -13.130 14.865 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.150 -10.928 15.684 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.549 -11.628 15.808 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.774 -12.436 11.963 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.197 -12.617 13.637 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.600 -13.555 13.073 1.00 0.00 H new ATOM 889 N VAL A 603 -17.708 -15.898 16.972 1.00 0.00 N ATOM 890 CA VAL A 603 -18.431 -17.178 17.129 1.00 0.00 C ATOM 891 C VAL A 603 -19.121 -17.219 18.507 1.00 0.00 C ATOM 892 O VAL A 603 -20.306 -17.519 18.597 1.00 0.00 O ATOM 893 CB VAL A 603 -17.477 -18.427 16.957 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.215 -19.764 17.275 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.858 -18.461 15.532 1.00 0.00 C ATOM 0 H VAL A 603 -16.700 -16.004 16.859 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.181 -17.235 16.340 1.00 0.00 H new ATOM 0 HB VAL A 603 -16.667 -18.321 17.679 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.527 -20.599 17.146 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.574 -19.746 18.304 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -19.061 -19.883 16.598 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.206 -19.329 15.439 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -17.655 -18.525 14.791 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.279 -17.553 15.365 1.00 0.00 H new ATOM 905 N LYS A 604 -18.366 -16.841 19.552 1.00 0.00 N ATOM 906 CA LYS A 604 -18.827 -16.832 20.957 1.00 0.00 C ATOM 907 C LYS A 604 -19.921 -15.768 21.183 1.00 0.00 C ATOM 908 O LYS A 604 -20.877 -16.006 21.919 1.00 0.00 O ATOM 909 CB LYS A 604 -17.622 -16.568 21.908 1.00 0.00 C ATOM 910 CG LYS A 604 -16.632 -17.745 22.071 1.00 0.00 C ATOM 911 CD LYS A 604 -15.279 -17.343 22.738 1.00 0.00 C ATOM 912 CE LYS A 604 -15.418 -16.640 24.117 1.00 0.00 C ATOM 913 NZ LYS A 604 -15.693 -15.178 24.011 1.00 0.00 N ATOM 0 H LYS A 604 -17.401 -16.527 19.446 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.258 -17.809 21.178 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.072 -15.702 21.538 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.009 -16.303 22.892 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.104 -18.524 22.670 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.429 -18.175 21.090 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.670 -18.239 22.862 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -14.738 -16.681 22.061 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -16.223 -17.114 24.679 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.501 -16.789 24.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -15.088 -14.661 24.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -15.491 -14.856 23.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -16.692 -14.996 24.235 1.00 0.00 H new ATOM 927 N ALA A 605 -19.760 -14.598 20.537 1.00 0.00 N ATOM 928 CA ALA A 605 -20.693 -13.460 20.680 1.00 0.00 C ATOM 929 C ALA A 605 -22.049 -13.793 20.045 1.00 0.00 C ATOM 930 O ALA A 605 -23.096 -13.589 20.656 1.00 0.00 O ATOM 931 CB ALA A 605 -20.096 -12.188 20.057 1.00 0.00 C ATOM 0 H ALA A 605 -18.983 -14.413 19.903 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.850 -13.275 21.743 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.798 -11.362 20.173 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.160 -11.942 20.559 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.906 -12.357 18.997 1.00 0.00 H new ATOM 937 N LYS A 606 -22.000 -14.345 18.817 1.00 0.00 N ATOM 938 CA LYS A 606 -23.207 -14.743 18.058 1.00 0.00 C ATOM 939 C LYS A 606 -23.836 -16.016 18.638 1.00 0.00 C ATOM 940 O LYS A 606 -25.045 -16.219 18.520 1.00 0.00 O ATOM 941 CB LYS A 606 -22.885 -14.924 16.545 1.00 0.00 C ATOM 942 CG LYS A 606 -22.927 -13.623 15.705 1.00 0.00 C ATOM 943 CD LYS A 606 -21.877 -12.567 16.127 1.00 0.00 C ATOM 944 CE LYS A 606 -21.913 -11.315 15.235 1.00 0.00 C ATOM 945 NZ LYS A 606 -21.697 -11.646 13.802 1.00 0.00 N ATOM 0 H LYS A 606 -21.127 -14.528 18.323 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.935 -13.937 18.154 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.894 -15.367 16.451 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.594 -15.635 16.121 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -22.772 -13.875 14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -23.921 -13.184 15.784 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.054 -12.277 17.163 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -20.882 -13.011 16.085 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -22.875 -10.815 15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.147 -10.613 15.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -21.526 -10.772 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -20.873 -12.274 13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -22.540 -12.124 13.425 1.00 0.00 H new ATOM 959 N LYS A 607 -23.005 -16.863 19.271 1.00 0.00 N ATOM 960 CA LYS A 607 -23.481 -18.072 19.972 1.00 0.00 C ATOM 961 C LYS A 607 -24.340 -17.649 21.161 1.00 0.00 C ATOM 962 O LYS A 607 -25.497 -18.036 21.252 1.00 0.00 O ATOM 963 CB LYS A 607 -22.297 -18.952 20.440 1.00 0.00 C ATOM 964 CG LYS A 607 -22.699 -20.257 21.160 1.00 0.00 C ATOM 965 CD LYS A 607 -21.473 -21.121 21.521 1.00 0.00 C ATOM 966 CE LYS A 607 -21.869 -22.449 22.182 1.00 0.00 C ATOM 967 NZ LYS A 607 -22.632 -22.251 23.445 1.00 0.00 N ATOM 0 H LYS A 607 -21.994 -16.732 19.312 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.077 -18.671 19.283 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.688 -19.206 19.573 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.669 -18.364 21.109 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -23.251 -20.014 22.068 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -23.371 -20.831 20.522 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -20.897 -21.325 20.619 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -20.823 -20.562 22.195 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.471 -23.033 21.485 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -20.970 -23.029 22.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -22.787 -23.171 23.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -22.092 -21.632 24.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -23.550 -21.812 23.231 1.00 0.00 H new ATOM 981 N ALA A 608 -23.761 -16.789 22.018 1.00 0.00 N ATOM 982 CA ALA A 608 -24.444 -16.232 23.202 1.00 0.00 C ATOM 983 C ALA A 608 -25.702 -15.447 22.793 1.00 0.00 C ATOM 984 O ALA A 608 -26.744 -15.562 23.434 1.00 0.00 O ATOM 985 CB ALA A 608 -23.479 -15.332 23.986 1.00 0.00 C ATOM 0 H ALA A 608 -22.802 -16.459 21.909 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.758 -17.057 23.841 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.989 -14.924 24.858 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.618 -15.917 24.310 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.143 -14.515 23.347 1.00 0.00 H new