USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 616 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 564 GLN : amide:sc= 0.469 X(o=0.78,f=0.76) USER MOD Set 1.2: A 568 THR OG1 : rot 180:sc= 0.315 USER MOD Single : A 552 THR OG1 : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.1!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -175:sc=-0.00872 (180deg=-0.0434) 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 180:sc= -0.213 USER MOD Single : A 578 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0162) USER MOD Single : A 579 LYS NZ :NH3+ -169:sc= -0.0239 (180deg=-0.209) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 589 LYS NZ :NH3+ -117:sc= -0.787 (180deg=-4.14!) USER MOD Single : A 590 LYS NZ :NH3+ 159:sc= 0.758 (180deg=-0.00325) USER MOD Single : A 592 CYS SG : rot 69:sc= -4.71! USER MOD Single : A 593 MET CE :methyl -152:sc= 0 (180deg=-0.581) USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00497) USER MOD Single : A 602 MET CE :methyl 179:sc= -0.611 (180deg=-0.614) USER MOD Single : A 604 LYS NZ :NH3+ -155:sc= 0.472 (180deg=-0.192) USER MOD Single : A 606 LYS NZ :NH3+ 174:sc=-0.00236 (180deg=-0.0509) USER MOD Single : A 607 LYS NZ :NH3+ -111:sc= 0.77 (180deg=-0.0594) USER MOD Single : A 610 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.22) USER MOD Single : A 612 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 615 ASN : amide:sc=-0.00597 K(o=-0.006,f=-3.4!) USER MOD Single : A 617 SER OG : rot 74:sc= 0.034 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 -1.060 -4.763 8.773 1.00 0.00 N ATOM 2 CA PHE A 551 -1.163 -5.989 7.955 1.00 0.00 C ATOM 3 C PHE A 551 -2.105 -5.730 6.762 1.00 0.00 C ATOM 4 O PHE A 551 -2.926 -4.799 6.799 1.00 0.00 O ATOM 5 CB PHE A 551 -1.675 -7.183 8.818 1.00 0.00 C ATOM 6 CG PHE A 551 -3.090 -7.008 9.393 1.00 0.00 C ATOM 7 CD1 PHE A 551 -3.319 -6.196 10.509 1.00 0.00 C ATOM 8 CD2 PHE A 551 -4.197 -7.628 8.804 1.00 0.00 C ATOM 9 CE1 PHE A 551 -4.597 -6.025 11.016 1.00 0.00 C ATOM 10 CE2 PHE A 551 -5.472 -7.449 9.310 1.00 0.00 C ATOM 11 CZ PHE A 551 -5.669 -6.644 10.411 1.00 0.00 C ATOM 0 HA PHE A 551 -0.175 -6.253 7.576 1.00 0.00 H new ATOM 0 HB2 PHE A 551 -1.656 -8.087 8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 551 -0.980 -7.340 9.643 1.00 0.00 H new ATOM 0 HD1 PHE A 551 -2.487 -5.695 10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -4.054 -8.258 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 551 -4.753 -5.406 11.887 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -6.313 -7.940 8.842 1.00 0.00 H new ATOM 0 HZ PHE A 551 -6.666 -6.498 10.800 1.00 0.00 H new ATOM 21 N THR A 552 -1.982 -6.555 5.710 1.00 0.00 N ATOM 22 CA THR A 552 -2.872 -6.501 4.540 1.00 0.00 C ATOM 23 C THR A 552 -4.223 -7.178 4.883 1.00 0.00 C ATOM 24 O THR A 552 -4.252 -8.095 5.708 1.00 0.00 O ATOM 25 CB THR A 552 -2.201 -7.194 3.301 1.00 0.00 C ATOM 26 OG1 THR A 552 -1.876 -8.560 3.609 1.00 0.00 O ATOM 27 CG2 THR A 552 -0.921 -6.454 2.863 1.00 0.00 C ATOM 0 H THR A 552 -1.264 -7.277 5.647 1.00 0.00 H new ATOM 0 HA THR A 552 -3.055 -5.458 4.281 1.00 0.00 H new ATOM 0 HB THR A 552 -2.918 -7.161 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 552 -1.460 -8.981 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 552 -0.483 -6.961 2.003 1.00 0.00 H new ATOM 0 HG22 THR A 552 -1.169 -5.428 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 552 -0.205 -6.449 3.684 1.00 0.00 H new ATOM 35 N PRO A 553 -5.374 -6.705 4.308 1.00 0.00 N ATOM 36 CA PRO A 553 -6.707 -7.344 4.509 1.00 0.00 C ATOM 37 C PRO A 553 -6.734 -8.821 4.054 1.00 0.00 C ATOM 38 O PRO A 553 -6.227 -9.156 2.971 1.00 0.00 O ATOM 39 CB PRO A 553 -7.664 -6.477 3.648 1.00 0.00 C ATOM 40 CG PRO A 553 -6.965 -5.159 3.529 1.00 0.00 C ATOM 41 CD PRO A 553 -5.491 -5.491 3.454 1.00 0.00 C ATOM 0 HA PRO A 553 -6.985 -7.378 5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -7.835 -6.926 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -8.639 -6.369 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -7.292 -4.620 2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -7.181 -4.521 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -5.174 -5.687 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -4.874 -4.674 3.828 1.00 0.00 H new ATOM 49 N TRP A 554 -7.278 -9.696 4.918 1.00 0.00 N ATOM 50 CA TRP A 554 -7.415 -11.138 4.662 1.00 0.00 C ATOM 51 C TRP A 554 -8.503 -11.381 3.612 1.00 0.00 C ATOM 52 O TRP A 554 -9.634 -10.892 3.751 1.00 0.00 O ATOM 53 CB TRP A 554 -7.759 -11.893 5.978 1.00 0.00 C ATOM 54 CG TRP A 554 -6.668 -11.854 7.031 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.222 -10.764 7.734 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.905 -12.968 7.508 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.226 -11.138 8.599 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.011 -12.483 8.478 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.890 -14.327 7.193 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.120 -13.316 9.147 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.005 -15.153 7.853 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.129 -14.645 8.819 1.00 0.00 C ATOM 0 H TRP A 554 -7.641 -9.415 5.829 1.00 0.00 H new ATOM 0 HA TRP A 554 -6.466 -11.519 4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.669 -11.465 6.400 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -7.977 -12.934 5.738 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.600 -9.758 7.623 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.726 -10.513 9.231 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.560 -14.725 6.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.446 -12.929 9.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.988 -16.208 7.621 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.445 -15.316 9.317 1.00 0.00 H new ATOM 73 N THR A 555 -8.143 -12.113 2.553 1.00 0.00 N ATOM 74 CA THR A 555 -9.082 -12.486 1.481 1.00 0.00 C ATOM 75 C THR A 555 -9.725 -13.853 1.790 1.00 0.00 C ATOM 76 O THR A 555 -9.406 -14.474 2.816 1.00 0.00 O ATOM 77 CB THR A 555 -8.369 -12.510 0.091 1.00 0.00 C ATOM 78 OG1 THR A 555 -7.314 -13.491 0.093 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.799 -11.121 -0.280 1.00 0.00 C ATOM 0 H THR A 555 -7.196 -12.465 2.411 1.00 0.00 H new ATOM 0 HA THR A 555 -9.868 -11.732 1.436 1.00 0.00 H new ATOM 0 HB THR A 555 -9.112 -12.778 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 555 -6.874 -13.500 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 555 -7.310 -11.176 -1.253 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.610 -10.394 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 555 -7.074 -10.812 0.473 1.00 0.00 H new ATOM 87 N THR A 556 -10.619 -14.312 0.894 1.00 0.00 N ATOM 88 CA THR A 556 -11.362 -15.576 1.051 1.00 0.00 C ATOM 89 C THR A 556 -10.407 -16.777 1.251 1.00 0.00 C ATOM 90 O THR A 556 -10.642 -17.626 2.127 1.00 0.00 O ATOM 91 CB THR A 556 -12.272 -15.826 -0.198 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.074 -14.664 -0.449 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.195 -17.046 -0.028 1.00 0.00 C ATOM 0 H THR A 556 -10.847 -13.812 0.035 1.00 0.00 H new ATOM 0 HA THR A 556 -11.983 -15.486 1.942 1.00 0.00 H new ATOM 0 HB THR A 556 -11.609 -16.030 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.642 -14.821 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.802 -17.170 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.591 -17.940 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.846 -16.893 0.833 1.00 0.00 H new ATOM 101 N GLU A 557 -9.315 -16.819 0.456 1.00 0.00 N ATOM 102 CA GLU A 557 -8.337 -17.916 0.520 1.00 0.00 C ATOM 103 C GLU A 557 -7.487 -17.837 1.805 1.00 0.00 C ATOM 104 O GLU A 557 -7.301 -18.846 2.472 1.00 0.00 O ATOM 105 CB GLU A 557 -7.448 -17.960 -0.753 1.00 0.00 C ATOM 106 CG GLU A 557 -6.644 -16.677 -1.053 1.00 0.00 C ATOM 107 CD GLU A 557 -5.903 -16.734 -2.398 1.00 0.00 C ATOM 108 OE1 GLU A 557 -4.767 -17.247 -2.451 1.00 0.00 O ATOM 109 OE2 GLU A 557 -6.462 -16.282 -3.415 1.00 0.00 O ATOM 0 H GLU A 557 -9.093 -16.103 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.895 -18.852 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.749 -18.791 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.084 -18.177 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.321 -15.822 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.922 -16.512 -0.253 1.00 0.00 H new ATOM 116 N GLU A 558 -7.029 -16.618 2.173 1.00 0.00 N ATOM 117 CA GLU A 558 -6.158 -16.414 3.364 1.00 0.00 C ATOM 118 C GLU A 558 -6.877 -16.842 4.655 1.00 0.00 C ATOM 119 O GLU A 558 -6.284 -17.479 5.537 1.00 0.00 O ATOM 120 CB GLU A 558 -5.724 -14.926 3.482 1.00 0.00 C ATOM 121 CG GLU A 558 -5.048 -14.358 2.226 1.00 0.00 C ATOM 122 CD GLU A 558 -3.779 -15.117 1.813 1.00 0.00 C ATOM 123 OE1 GLU A 558 -2.721 -14.920 2.445 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.827 -15.889 0.844 1.00 0.00 O ATOM 0 H GLU A 558 -7.245 -15.760 1.666 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.272 -17.035 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -6.602 -14.322 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -5.039 -14.826 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -5.759 -14.380 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -4.795 -13.312 2.401 1.00 0.00 H new ATOM 131 N GLN A 559 -8.174 -16.491 4.715 1.00 0.00 N ATOM 132 CA GLN A 559 -9.021 -16.723 5.888 1.00 0.00 C ATOM 133 C GLN A 559 -9.349 -18.219 6.049 1.00 0.00 C ATOM 134 O GLN A 559 -9.292 -18.738 7.164 1.00 0.00 O ATOM 135 CB GLN A 559 -10.323 -15.877 5.788 1.00 0.00 C ATOM 136 CG GLN A 559 -11.263 -15.968 7.012 1.00 0.00 C ATOM 137 CD GLN A 559 -10.611 -15.501 8.318 1.00 0.00 C ATOM 138 OE1 GLN A 559 -10.661 -14.321 8.653 1.00 0.00 O ATOM 139 NE2 GLN A 559 -9.999 -16.422 9.057 1.00 0.00 N ATOM 0 H GLN A 559 -8.662 -16.036 3.944 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.471 -16.409 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -10.048 -14.833 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.875 -16.192 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -12.152 -15.366 6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.595 -16.999 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -9.978 -17.393 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -9.551 -16.157 9.934 1.00 0.00 H new ATOM 148 N LYS A 560 -9.676 -18.912 4.923 1.00 0.00 N ATOM 149 CA LYS A 560 -10.039 -20.355 4.960 1.00 0.00 C ATOM 150 C LYS A 560 -8.821 -21.229 5.319 1.00 0.00 C ATOM 151 O LYS A 560 -8.976 -22.251 5.978 1.00 0.00 O ATOM 152 CB LYS A 560 -10.659 -20.861 3.625 1.00 0.00 C ATOM 153 CG LYS A 560 -9.690 -20.899 2.425 1.00 0.00 C ATOM 154 CD LYS A 560 -10.279 -21.574 1.173 1.00 0.00 C ATOM 155 CE LYS A 560 -11.533 -20.866 0.620 1.00 0.00 C ATOM 156 NZ LYS A 560 -12.020 -21.513 -0.622 1.00 0.00 N ATOM 0 H LYS A 560 -9.695 -18.500 3.990 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.799 -20.448 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.055 -21.864 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.504 -20.221 3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.398 -19.880 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -8.783 -21.427 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -9.517 -21.604 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.531 -22.607 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.322 -20.881 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -11.303 -19.820 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -12.864 -21.012 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -11.275 -21.477 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -12.263 -22.505 -0.425 1.00 0.00 H new ATOM 170 N LEU A 561 -7.617 -20.810 4.854 1.00 0.00 N ATOM 171 CA LEU A 561 -6.351 -21.516 5.145 1.00 0.00 C ATOM 172 C LEU A 561 -6.042 -21.432 6.637 1.00 0.00 C ATOM 173 O LEU A 561 -5.536 -22.392 7.231 1.00 0.00 O ATOM 174 CB LEU A 561 -5.176 -20.918 4.321 1.00 0.00 C ATOM 175 CG LEU A 561 -5.256 -21.087 2.772 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.067 -20.401 2.066 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.382 -22.566 2.376 1.00 0.00 C ATOM 0 H LEU A 561 -7.500 -19.980 4.272 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.467 -22.561 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.109 -19.853 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.249 -21.375 4.667 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.162 -20.585 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.155 -20.539 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.072 -19.336 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.133 -20.843 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.435 -22.649 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.513 -23.115 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.287 -22.985 2.817 1.00 0.00 H new ATOM 189 N LEU A 562 -6.356 -20.261 7.230 1.00 0.00 N ATOM 190 CA LEU A 562 -6.206 -20.044 8.667 1.00 0.00 C ATOM 191 C LEU A 562 -7.169 -20.962 9.441 1.00 0.00 C ATOM 192 O LEU A 562 -6.725 -21.797 10.222 1.00 0.00 O ATOM 193 CB LEU A 562 -6.445 -18.552 9.038 1.00 0.00 C ATOM 194 CG LEU A 562 -6.313 -18.215 10.556 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.916 -18.576 11.104 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.685 -16.750 10.842 1.00 0.00 C ATOM 0 H LEU A 562 -6.717 -19.452 6.724 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.183 -20.292 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.736 -17.938 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.443 -18.267 8.704 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.030 -18.838 11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.865 -18.326 12.164 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.739 -19.644 10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.156 -18.014 10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.582 -16.550 11.909 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.021 -16.090 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.716 -16.570 10.537 1.00 0.00 H new ATOM 208 N GLU A 563 -8.482 -20.835 9.140 1.00 0.00 N ATOM 209 CA GLU A 563 -9.570 -21.566 9.842 1.00 0.00 C ATOM 210 C GLU A 563 -9.383 -23.091 9.759 1.00 0.00 C ATOM 211 O GLU A 563 -9.631 -23.803 10.737 1.00 0.00 O ATOM 212 CB GLU A 563 -10.951 -21.148 9.263 1.00 0.00 C ATOM 213 CG GLU A 563 -11.313 -19.674 9.507 1.00 0.00 C ATOM 214 CD GLU A 563 -12.653 -19.268 8.867 1.00 0.00 C ATOM 215 OE1 GLU A 563 -12.693 -19.036 7.637 1.00 0.00 O ATOM 216 OE2 GLU A 563 -13.678 -19.185 9.588 1.00 0.00 O ATOM 0 H GLU A 563 -8.821 -20.220 8.400 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.529 -21.295 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.956 -21.340 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.724 -21.779 9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.359 -19.490 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.520 -19.041 9.109 1.00 0.00 H new ATOM 223 N GLN A 564 -8.912 -23.565 8.590 1.00 0.00 N ATOM 224 CA GLN A 564 -8.621 -24.992 8.353 1.00 0.00 C ATOM 225 C GLN A 564 -7.475 -25.456 9.259 1.00 0.00 C ATOM 226 O GLN A 564 -7.576 -26.491 9.906 1.00 0.00 O ATOM 227 CB GLN A 564 -8.264 -25.243 6.862 1.00 0.00 C ATOM 228 CG GLN A 564 -7.974 -26.717 6.482 1.00 0.00 C ATOM 229 CD GLN A 564 -9.148 -27.662 6.787 1.00 0.00 C ATOM 230 OE1 GLN A 564 -10.040 -27.851 5.962 1.00 0.00 O ATOM 231 NE2 GLN A 564 -9.147 -28.264 7.972 1.00 0.00 N ATOM 0 H GLN A 564 -8.723 -22.970 7.784 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.515 -25.568 8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.087 -24.882 6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.390 -24.643 6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.738 -26.772 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.091 -27.058 7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -8.392 -28.086 8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -9.901 -28.904 8.219 1.00 0.00 H new ATOM 240 N ALA A 565 -6.402 -24.654 9.309 1.00 0.00 N ATOM 241 CA ALA A 565 -5.214 -24.937 10.144 1.00 0.00 C ATOM 242 C ALA A 565 -5.542 -24.843 11.654 1.00 0.00 C ATOM 243 O ALA A 565 -4.899 -25.498 12.484 1.00 0.00 O ATOM 244 CB ALA A 565 -4.080 -23.979 9.762 1.00 0.00 C ATOM 0 H ALA A 565 -6.328 -23.789 8.773 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.893 -25.961 9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.205 -24.188 10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.826 -24.117 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.402 -22.951 9.926 1.00 0.00 H new ATOM 250 N LEU A 566 -6.551 -24.017 11.994 1.00 0.00 N ATOM 251 CA LEU A 566 -7.045 -23.863 13.374 1.00 0.00 C ATOM 252 C LEU A 566 -7.804 -25.126 13.837 1.00 0.00 C ATOM 253 O LEU A 566 -7.825 -25.431 15.032 1.00 0.00 O ATOM 254 CB LEU A 566 -7.944 -22.603 13.493 1.00 0.00 C ATOM 255 CG LEU A 566 -7.240 -21.230 13.227 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.263 -20.085 13.128 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.161 -20.937 14.287 1.00 0.00 C ATOM 0 H LEU A 566 -7.047 -23.437 11.317 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.184 -23.734 14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.773 -22.705 12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.373 -22.581 14.495 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.737 -21.300 12.263 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.741 -19.146 12.943 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -8.954 -20.284 12.309 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.820 -20.013 14.062 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.692 -19.977 14.073 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.621 -20.904 15.275 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.406 -21.723 14.264 1.00 0.00 H new ATOM 269 N LYS A 567 -8.419 -25.848 12.875 1.00 0.00 N ATOM 270 CA LYS A 567 -9.183 -27.087 13.148 1.00 0.00 C ATOM 271 C LYS A 567 -8.272 -28.332 13.082 1.00 0.00 C ATOM 272 O LYS A 567 -8.376 -29.238 13.916 1.00 0.00 O ATOM 273 CB LYS A 567 -10.345 -27.242 12.130 1.00 0.00 C ATOM 274 CG LYS A 567 -11.358 -26.081 12.109 1.00 0.00 C ATOM 275 CD LYS A 567 -11.973 -25.776 13.488 1.00 0.00 C ATOM 276 CE LYS A 567 -13.088 -24.716 13.420 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.640 -23.453 12.755 1.00 0.00 N ATOM 0 H LYS A 567 -8.400 -25.590 11.888 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.591 -27.008 14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.920 -27.351 11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.880 -28.166 12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.863 -25.185 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -12.158 -26.320 11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.377 -26.695 13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -11.189 -25.430 14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.941 -25.125 12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -13.431 -24.489 14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.399 -22.744 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -11.791 -23.090 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -12.418 -23.646 11.757 1.00 0.00 H new ATOM 291 N THR A 568 -7.389 -28.357 12.076 1.00 0.00 N ATOM 292 CA THR A 568 -6.491 -29.494 11.805 1.00 0.00 C ATOM 293 C THR A 568 -5.434 -29.638 12.917 1.00 0.00 C ATOM 294 O THR A 568 -5.102 -30.752 13.335 1.00 0.00 O ATOM 295 CB THR A 568 -5.796 -29.327 10.405 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.799 -29.200 9.382 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.866 -30.503 10.052 1.00 0.00 C ATOM 0 H THR A 568 -7.274 -27.584 11.420 1.00 0.00 H new ATOM 0 HA THR A 568 -7.092 -30.403 11.788 1.00 0.00 H new ATOM 0 HB THR A 568 -5.181 -28.429 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.365 -29.094 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.416 -30.330 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 568 -4.081 -30.584 10.804 1.00 0.00 H new ATOM 0 HG23 THR A 568 -5.442 -31.428 10.027 1.00 0.00 H new ATOM 305 N TYR A 569 -4.925 -28.494 13.404 1.00 0.00 N ATOM 306 CA TYR A 569 -3.859 -28.454 14.419 1.00 0.00 C ATOM 307 C TYR A 569 -4.448 -28.004 15.769 1.00 0.00 C ATOM 308 O TYR A 569 -4.897 -26.859 15.890 1.00 0.00 O ATOM 309 CB TYR A 569 -2.706 -27.522 13.929 1.00 0.00 C ATOM 310 CG TYR A 569 -2.198 -27.931 12.531 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.761 -29.242 12.291 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.227 -27.050 11.445 1.00 0.00 C ATOM 313 CE1 TYR A 569 -1.357 -29.645 11.044 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.830 -27.464 10.183 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.400 -28.763 9.994 1.00 0.00 C ATOM 316 OH TYR A 569 -1.031 -29.193 8.744 1.00 0.00 O ATOM 0 H TYR A 569 -5.241 -27.571 13.105 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.435 -29.447 14.565 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -3.058 -26.491 13.901 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.881 -27.558 14.641 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.742 -29.950 13.106 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.563 -26.034 11.592 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -1.006 -30.654 10.889 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.857 -26.775 9.352 1.00 0.00 H new ATOM 0 HH TYR A 569 -1.116 -28.454 8.106 1.00 0.00 H new ATOM 326 N PRO A 570 -4.529 -28.928 16.790 1.00 0.00 N ATOM 327 CA PRO A 570 -5.015 -28.589 18.157 1.00 0.00 C ATOM 328 C PRO A 570 -4.081 -27.592 18.878 1.00 0.00 C ATOM 329 O PRO A 570 -2.877 -27.563 18.613 1.00 0.00 O ATOM 330 CB PRO A 570 -5.069 -29.963 18.878 1.00 0.00 C ATOM 331 CG PRO A 570 -4.102 -30.828 18.128 1.00 0.00 C ATOM 332 CD PRO A 570 -4.190 -30.380 16.684 1.00 0.00 C ATOM 0 HA PRO A 570 -5.981 -28.085 18.142 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.786 -29.871 19.927 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.075 -30.382 18.855 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.090 -30.710 18.514 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -4.360 -31.882 18.228 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.248 -30.535 16.157 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.955 -30.932 16.138 1.00 0.00 H new ATOM 340 N VAL A 571 -4.658 -26.774 19.788 1.00 0.00 N ATOM 341 CA VAL A 571 -3.912 -25.718 20.507 1.00 0.00 C ATOM 342 C VAL A 571 -2.865 -26.330 21.466 1.00 0.00 C ATOM 343 O VAL A 571 -1.837 -25.713 21.748 1.00 0.00 O ATOM 344 CB VAL A 571 -4.871 -24.722 21.273 1.00 0.00 C ATOM 345 CG1 VAL A 571 -5.689 -25.436 22.387 1.00 0.00 C ATOM 346 CG2 VAL A 571 -4.093 -23.487 21.828 1.00 0.00 C ATOM 0 H VAL A 571 -5.644 -26.827 20.042 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.384 -25.134 19.753 1.00 0.00 H new ATOM 0 HB VAL A 571 -5.591 -24.351 20.543 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -6.333 -24.712 22.886 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.301 -26.221 21.943 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.007 -25.876 23.114 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -4.785 -22.825 22.348 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.323 -23.824 22.522 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -3.628 -22.949 21.002 1.00 0.00 H new ATOM 356 N ASN A 572 -3.116 -27.579 21.914 1.00 0.00 N ATOM 357 CA ASN A 572 -2.198 -28.324 22.808 1.00 0.00 C ATOM 358 C ASN A 572 -0.845 -28.634 22.120 1.00 0.00 C ATOM 359 O ASN A 572 0.118 -29.005 22.794 1.00 0.00 O ATOM 360 CB ASN A 572 -2.865 -29.641 23.308 1.00 0.00 C ATOM 361 CG ASN A 572 -4.130 -29.396 24.140 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.055 -29.186 25.354 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.294 -29.434 23.507 1.00 0.00 N ATOM 0 H ASN A 572 -3.958 -28.100 21.668 1.00 0.00 H new ATOM 0 HA ASN A 572 -1.993 -27.684 23.666 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.117 -30.263 22.449 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.146 -30.201 23.907 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.161 -29.287 24.024 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -5.323 -29.610 22.503 1.00 0.00 H new ATOM 370 N THR A 573 -0.788 -28.493 20.783 1.00 0.00 N ATOM 371 CA THR A 573 0.456 -28.624 20.011 1.00 0.00 C ATOM 372 C THR A 573 1.356 -27.370 20.230 1.00 0.00 C ATOM 373 O THR A 573 0.871 -26.244 20.102 1.00 0.00 O ATOM 374 CB THR A 573 0.127 -28.786 18.483 1.00 0.00 C ATOM 375 OG1 THR A 573 -0.848 -29.827 18.294 1.00 0.00 O ATOM 376 CG2 THR A 573 1.371 -29.111 17.636 1.00 0.00 C ATOM 0 H THR A 573 -1.605 -28.285 20.209 1.00 0.00 H new ATOM 0 HA THR A 573 0.992 -29.509 20.354 1.00 0.00 H new ATOM 0 HB THR A 573 -0.265 -27.826 18.147 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.047 -29.919 17.339 1.00 0.00 H new ATOM 0 HG21 THR A 573 1.083 -29.212 16.590 1.00 0.00 H new ATOM 0 HG22 THR A 573 2.100 -28.306 17.736 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.813 -30.045 17.982 1.00 0.00 H new ATOM 384 N PRO A 574 2.668 -27.533 20.615 1.00 0.00 N ATOM 385 CA PRO A 574 3.641 -26.402 20.652 1.00 0.00 C ATOM 386 C PRO A 574 4.016 -25.899 19.233 1.00 0.00 C ATOM 387 O PRO A 574 4.433 -24.748 19.055 1.00 0.00 O ATOM 388 CB PRO A 574 4.863 -27.000 21.398 1.00 0.00 C ATOM 389 CG PRO A 574 4.769 -28.481 21.155 1.00 0.00 C ATOM 390 CD PRO A 574 3.285 -28.793 21.117 1.00 0.00 C ATOM 0 HA PRO A 574 3.234 -25.520 21.146 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.799 -26.594 21.014 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.829 -26.770 22.463 1.00 0.00 H new ATOM 0 HG2 PRO A 574 5.252 -28.756 20.217 1.00 0.00 H new ATOM 0 HG3 PRO A 574 5.267 -29.041 21.946 1.00 0.00 H new ATOM 0 HD2 PRO A 574 3.070 -29.634 20.457 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.907 -29.058 22.104 1.00 0.00 H new ATOM 398 N GLU A 575 3.845 -26.780 18.230 1.00 0.00 N ATOM 399 CA GLU A 575 4.098 -26.480 16.800 1.00 0.00 C ATOM 400 C GLU A 575 2.819 -25.972 16.099 1.00 0.00 C ATOM 401 O GLU A 575 2.772 -25.906 14.872 1.00 0.00 O ATOM 402 CB GLU A 575 4.606 -27.760 16.089 1.00 0.00 C ATOM 403 CG GLU A 575 5.820 -28.429 16.758 1.00 0.00 C ATOM 404 CD GLU A 575 6.272 -29.713 16.043 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.531 -30.715 16.088 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.353 -29.723 15.417 1.00 0.00 O ATOM 0 H GLU A 575 3.523 -27.735 18.388 1.00 0.00 H new ATOM 0 HA GLU A 575 4.852 -25.695 16.742 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.790 -28.482 16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.868 -27.509 15.061 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.649 -27.722 16.781 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.573 -28.665 17.793 1.00 0.00 H new ATOM 413 N ARG A 576 1.811 -25.588 16.899 1.00 0.00 N ATOM 414 CA ARG A 576 0.456 -25.223 16.424 1.00 0.00 C ATOM 415 C ARG A 576 0.512 -24.105 15.363 1.00 0.00 C ATOM 416 O ARG A 576 0.124 -24.321 14.218 1.00 0.00 O ATOM 417 CB ARG A 576 -0.394 -24.812 17.656 1.00 0.00 C ATOM 418 CG ARG A 576 -1.922 -24.625 17.453 1.00 0.00 C ATOM 419 CD ARG A 576 -2.343 -23.204 17.019 1.00 0.00 C ATOM 420 NE ARG A 576 -3.793 -23.008 17.129 1.00 0.00 N ATOM 421 CZ ARG A 576 -4.712 -23.565 16.334 1.00 0.00 C ATOM 422 NH1 ARG A 576 -4.352 -24.256 15.250 1.00 0.00 N ATOM 423 NH2 ARG A 576 -5.995 -23.398 16.610 1.00 0.00 N ATOM 0 H ARG A 576 1.911 -25.520 17.912 1.00 0.00 H new ATOM 0 HA ARG A 576 -0.008 -26.078 15.933 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.249 -25.566 18.429 1.00 0.00 H new ATOM 0 HB3 ARG A 576 0.009 -23.876 18.044 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.265 -25.337 16.702 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.432 -24.873 18.384 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -1.829 -22.468 17.637 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.030 -23.031 15.989 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.127 -22.396 17.874 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -3.364 -24.365 15.019 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -5.065 -24.675 14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.275 -22.849 17.423 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -6.705 -23.819 16.010 1.00 0.00 H new ATOM 437 N TRP A 577 1.047 -22.936 15.756 1.00 0.00 N ATOM 438 CA TRP A 577 1.150 -21.760 14.864 1.00 0.00 C ATOM 439 C TRP A 577 2.257 -21.951 13.807 1.00 0.00 C ATOM 440 O TRP A 577 2.212 -21.341 12.738 1.00 0.00 O ATOM 441 CB TRP A 577 1.385 -20.476 15.703 1.00 0.00 C ATOM 442 CG TRP A 577 0.259 -20.190 16.672 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.234 -20.440 18.023 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.024 -19.635 16.350 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.976 -20.072 18.548 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.765 -19.571 17.545 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.614 -19.171 15.164 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.067 -19.093 17.586 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -2.905 -18.690 15.209 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.618 -18.649 16.412 1.00 0.00 C ATOM 0 H TRP A 577 1.418 -22.777 16.692 1.00 0.00 H new ATOM 0 HA TRP A 577 0.209 -21.653 14.325 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.318 -20.577 16.258 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.504 -19.626 15.031 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.050 -20.865 18.589 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.247 -20.157 19.528 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.067 -19.190 14.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.626 -19.072 18.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.373 -18.339 14.301 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.625 -18.259 16.416 1.00 0.00 H new ATOM 461 N LYS A 578 3.216 -22.840 14.105 1.00 0.00 N ATOM 462 CA LYS A 578 4.341 -23.158 13.201 1.00 0.00 C ATOM 463 C LYS A 578 3.809 -23.846 11.927 1.00 0.00 C ATOM 464 O LYS A 578 4.204 -23.517 10.812 1.00 0.00 O ATOM 465 CB LYS A 578 5.406 -24.060 13.905 1.00 0.00 C ATOM 466 CG LYS A 578 6.251 -23.379 15.017 1.00 0.00 C ATOM 467 CD LYS A 578 5.412 -22.872 16.218 1.00 0.00 C ATOM 468 CE LYS A 578 6.260 -22.204 17.314 1.00 0.00 C ATOM 469 NZ LYS A 578 7.191 -23.165 17.967 1.00 0.00 N ATOM 0 H LYS A 578 3.237 -23.362 14.981 1.00 0.00 H new ATOM 0 HA LYS A 578 4.832 -22.224 12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 578 4.895 -24.919 14.340 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.086 -24.445 13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 578 6.996 -24.087 15.379 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.794 -22.539 14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.669 -22.160 15.858 1.00 0.00 H new ATOM 0 HD3 LYS A 578 4.866 -23.710 16.651 1.00 0.00 H new ATOM 0 HE2 LYS A 578 6.832 -21.384 16.880 1.00 0.00 H new ATOM 0 HE3 LYS A 578 5.602 -21.770 18.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.681 -22.694 18.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 6.653 -23.977 18.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 7.891 -23.497 17.273 1.00 0.00 H new ATOM 483 N LYS A 579 2.856 -24.764 12.122 1.00 0.00 N ATOM 484 CA LYS A 579 2.207 -25.500 11.024 1.00 0.00 C ATOM 485 C LYS A 579 1.188 -24.612 10.294 1.00 0.00 C ATOM 486 O LYS A 579 0.854 -24.868 9.131 1.00 0.00 O ATOM 487 CB LYS A 579 1.554 -26.779 11.591 1.00 0.00 C ATOM 488 CG LYS A 579 2.578 -27.750 12.224 1.00 0.00 C ATOM 489 CD LYS A 579 1.914 -28.985 12.871 1.00 0.00 C ATOM 490 CE LYS A 579 2.939 -29.982 13.443 1.00 0.00 C ATOM 491 NZ LYS A 579 3.871 -30.473 12.397 1.00 0.00 N ATOM 0 H LYS A 579 2.510 -25.020 13.047 1.00 0.00 H new ATOM 0 HA LYS A 579 2.955 -25.789 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 579 0.814 -26.501 12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.020 -27.293 10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.280 -28.080 11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.157 -27.218 12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.248 -28.657 13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.297 -29.491 12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.507 -29.503 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.415 -30.827 13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.421 -31.273 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 3.328 -30.783 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.518 -29.707 12.121 1.00 0.00 H new ATOM 505 N ILE A 580 0.700 -23.562 10.980 1.00 0.00 N ATOM 506 CA ILE A 580 -0.182 -22.543 10.379 1.00 0.00 C ATOM 507 C ILE A 580 0.626 -21.622 9.435 1.00 0.00 C ATOM 508 O ILE A 580 0.076 -21.068 8.484 1.00 0.00 O ATOM 509 CB ILE A 580 -0.937 -21.720 11.497 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.852 -22.678 12.328 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.755 -20.539 10.921 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.669 -22.020 13.422 1.00 0.00 C ATOM 0 H ILE A 580 0.905 -23.396 11.965 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.942 -23.047 9.782 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.182 -21.280 12.148 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.534 -23.183 11.644 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.226 -23.447 12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.252 -20.010 11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.087 -19.855 10.397 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.503 -20.919 10.225 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.266 -22.775 13.934 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.000 -21.540 14.137 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.329 -21.272 12.983 1.00 0.00 H new ATOM 524 N ALA A 581 1.938 -21.452 9.712 1.00 0.00 N ATOM 525 CA ALA A 581 2.877 -20.778 8.774 1.00 0.00 C ATOM 526 C ALA A 581 2.924 -21.465 7.401 1.00 0.00 C ATOM 527 O ALA A 581 3.017 -20.793 6.365 1.00 0.00 O ATOM 528 CB ALA A 581 4.291 -20.659 9.377 1.00 0.00 C ATOM 0 H ALA A 581 2.375 -21.771 10.577 1.00 0.00 H new ATOM 0 HA ALA A 581 2.489 -19.771 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.950 -20.162 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.246 -20.077 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.678 -21.654 9.596 1.00 0.00 H new ATOM 534 N GLU A 582 2.844 -22.803 7.408 1.00 0.00 N ATOM 535 CA GLU A 582 2.868 -23.607 6.173 1.00 0.00 C ATOM 536 C GLU A 582 1.527 -23.472 5.426 1.00 0.00 C ATOM 537 O GLU A 582 1.492 -23.272 4.211 1.00 0.00 O ATOM 538 CB GLU A 582 3.122 -25.091 6.514 1.00 0.00 C ATOM 539 CG GLU A 582 4.363 -25.365 7.378 1.00 0.00 C ATOM 540 CD GLU A 582 4.522 -26.854 7.720 1.00 0.00 C ATOM 541 OE1 GLU A 582 3.723 -27.366 8.530 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.419 -27.525 7.171 1.00 0.00 O ATOM 0 H GLU A 582 2.761 -23.357 8.261 1.00 0.00 H new ATOM 0 HA GLU A 582 3.672 -23.242 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.246 -25.483 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.218 -25.649 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.252 -25.019 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.294 -24.789 8.301 1.00 0.00 H new ATOM 549 N ALA A 583 0.430 -23.578 6.190 1.00 0.00 N ATOM 550 CA ALA A 583 -0.940 -23.520 5.653 1.00 0.00 C ATOM 551 C ALA A 583 -1.297 -22.110 5.134 1.00 0.00 C ATOM 552 O ALA A 583 -2.005 -21.986 4.133 1.00 0.00 O ATOM 553 CB ALA A 583 -1.939 -23.972 6.731 1.00 0.00 C ATOM 0 H ALA A 583 0.467 -23.707 7.201 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.998 -24.197 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.952 -23.928 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.712 -24.995 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.862 -23.314 7.597 1.00 0.00 H new ATOM 559 N VAL A 584 -0.781 -21.066 5.817 1.00 0.00 N ATOM 560 CA VAL A 584 -1.099 -19.649 5.526 1.00 0.00 C ATOM 561 C VAL A 584 0.207 -18.895 5.173 1.00 0.00 C ATOM 562 O VAL A 584 0.906 -18.415 6.084 1.00 0.00 O ATOM 563 CB VAL A 584 -1.799 -18.930 6.753 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.360 -17.547 6.347 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.889 -19.815 7.376 1.00 0.00 C ATOM 0 H VAL A 584 -0.127 -21.182 6.591 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.795 -19.631 4.687 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.037 -18.766 7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.834 -17.079 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.546 -16.914 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.096 -17.672 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.348 -19.291 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.649 -20.038 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.444 -20.745 7.729 1.00 0.00 H new ATOM 575 N PRO A 585 0.603 -18.837 3.861 1.00 0.00 N ATOM 576 CA PRO A 585 1.747 -18.023 3.404 1.00 0.00 C ATOM 577 C PRO A 585 1.331 -16.556 3.131 1.00 0.00 C ATOM 578 O PRO A 585 0.173 -16.275 2.791 1.00 0.00 O ATOM 579 CB PRO A 585 2.188 -18.758 2.113 1.00 0.00 C ATOM 580 CG PRO A 585 0.914 -19.321 1.542 1.00 0.00 C ATOM 581 CD PRO A 585 -0.012 -19.587 2.727 1.00 0.00 C ATOM 0 HA PRO A 585 2.546 -17.940 4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.668 -18.075 1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.907 -19.547 2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.458 -18.619 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.110 -20.240 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.025 -19.239 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.079 -20.653 2.946 1.00 0.00 H new ATOM 589 N GLY A 586 2.290 -15.630 3.307 1.00 0.00 N ATOM 590 CA GLY A 586 2.056 -14.193 3.095 1.00 0.00 C ATOM 591 C GLY A 586 1.638 -13.450 4.366 1.00 0.00 C ATOM 592 O GLY A 586 1.855 -12.238 4.491 1.00 0.00 O ATOM 0 H GLY A 586 3.241 -15.855 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.965 -13.739 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.282 -14.067 2.338 1.00 0.00 H new ATOM 596 N ARG A 587 1.027 -14.187 5.304 1.00 0.00 N ATOM 597 CA ARG A 587 0.542 -13.641 6.592 1.00 0.00 C ATOM 598 C ARG A 587 1.445 -14.131 7.727 1.00 0.00 C ATOM 599 O ARG A 587 1.850 -15.298 7.721 1.00 0.00 O ATOM 600 CB ARG A 587 -0.912 -14.107 6.860 1.00 0.00 C ATOM 601 CG ARG A 587 -1.874 -13.892 5.678 1.00 0.00 C ATOM 602 CD ARG A 587 -2.022 -12.416 5.278 1.00 0.00 C ATOM 603 NE ARG A 587 -2.670 -12.288 3.960 1.00 0.00 N ATOM 604 CZ ARG A 587 -3.511 -11.319 3.605 1.00 0.00 C ATOM 605 NH1 ARG A 587 -3.992 -10.484 4.508 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.908 -11.223 2.345 1.00 0.00 N ATOM 0 H ARG A 587 0.851 -15.186 5.196 1.00 0.00 H new ATOM 0 HA ARG A 587 0.565 -12.552 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.900 -15.167 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.298 -13.574 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.517 -14.460 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.854 -14.291 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.611 -11.889 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.041 -11.942 5.252 1.00 0.00 H new ATOM 0 HE ARG A 587 -2.456 -13.001 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -3.720 -10.579 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -4.636 -9.744 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -3.569 -11.890 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -4.552 -10.482 2.068 1.00 0.00 H new ATOM 620 N THR A 588 1.752 -13.251 8.693 1.00 0.00 N ATOM 621 CA THR A 588 2.550 -13.602 9.864 1.00 0.00 C ATOM 622 C THR A 588 1.624 -14.161 10.961 1.00 0.00 C ATOM 623 O THR A 588 0.433 -13.832 11.014 1.00 0.00 O ATOM 624 CB THR A 588 3.324 -12.333 10.367 1.00 0.00 C ATOM 625 OG1 THR A 588 3.918 -11.645 9.249 1.00 0.00 O ATOM 626 CG2 THR A 588 4.419 -12.676 11.378 1.00 0.00 C ATOM 0 H THR A 588 1.451 -12.277 8.678 1.00 0.00 H new ATOM 0 HA THR A 588 3.281 -14.368 9.607 1.00 0.00 H new ATOM 0 HB THR A 588 2.595 -11.695 10.867 1.00 0.00 H new ATOM 0 HG1 THR A 588 4.398 -10.853 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.923 -11.762 11.693 1.00 0.00 H new ATOM 0 HG22 THR A 588 3.974 -13.162 12.246 1.00 0.00 H new ATOM 0 HG23 THR A 588 5.142 -13.348 10.917 1.00 0.00 H new ATOM 634 N LYS A 589 2.171 -15.020 11.830 1.00 0.00 N ATOM 635 CA LYS A 589 1.375 -15.740 12.833 1.00 0.00 C ATOM 636 C LYS A 589 0.853 -14.819 13.931 1.00 0.00 C ATOM 637 O LYS A 589 -0.152 -15.149 14.546 1.00 0.00 O ATOM 638 CB LYS A 589 2.168 -16.930 13.415 1.00 0.00 C ATOM 639 CG LYS A 589 2.071 -18.249 12.602 1.00 0.00 C ATOM 640 CD LYS A 589 2.339 -18.096 11.073 1.00 0.00 C ATOM 641 CE LYS A 589 1.054 -17.929 10.220 1.00 0.00 C ATOM 642 NZ LYS A 589 1.346 -17.762 8.781 1.00 0.00 N ATOM 0 H LYS A 589 3.168 -15.235 11.859 1.00 0.00 H new ATOM 0 HA LYS A 589 0.497 -16.138 12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.217 -16.645 13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 589 1.816 -17.120 14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 589 2.783 -18.965 13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.077 -18.673 12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 589 2.984 -17.232 10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 589 2.885 -18.971 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.414 -18.801 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.495 -17.064 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.019 -16.826 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.371 -17.842 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.854 -18.500 8.239 1.00 0.00 H new ATOM 656 N LYS A 590 1.528 -13.670 14.166 1.00 0.00 N ATOM 657 CA LYS A 590 1.034 -12.624 15.086 1.00 0.00 C ATOM 658 C LYS A 590 -0.370 -12.161 14.645 1.00 0.00 C ATOM 659 O LYS A 590 -1.277 -12.041 15.468 1.00 0.00 O ATOM 660 CB LYS A 590 2.020 -11.412 15.160 1.00 0.00 C ATOM 661 CG LYS A 590 2.300 -10.692 13.820 1.00 0.00 C ATOM 662 CD LYS A 590 3.209 -9.456 13.986 1.00 0.00 C ATOM 663 CE LYS A 590 3.531 -8.775 12.638 1.00 0.00 C ATOM 664 NZ LYS A 590 2.310 -8.283 11.942 1.00 0.00 N ATOM 0 H LYS A 590 2.421 -13.445 13.727 1.00 0.00 H new ATOM 0 HA LYS A 590 0.971 -13.051 16.087 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.619 -10.684 15.866 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.968 -11.763 15.568 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.768 -11.392 13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.355 -10.385 13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.723 -8.737 14.646 1.00 0.00 H new ATOM 0 HD3 LYS A 590 4.139 -9.755 14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 590 4.209 -7.939 12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.053 -9.482 11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.574 -7.547 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 1.852 -9.073 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 1.650 -7.885 12.640 1.00 0.00 H new ATOM 678 N ASP A 591 -0.541 -11.988 13.315 1.00 0.00 N ATOM 679 CA ASP A 591 -1.803 -11.533 12.694 1.00 0.00 C ATOM 680 C ASP A 591 -2.838 -12.663 12.706 1.00 0.00 C ATOM 681 O ASP A 591 -4.038 -12.416 12.816 1.00 0.00 O ATOM 682 CB ASP A 591 -1.551 -11.062 11.241 1.00 0.00 C ATOM 683 CG ASP A 591 -0.435 -10.012 11.154 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.644 -8.863 11.590 1.00 0.00 O ATOM 685 OD2 ASP A 591 0.676 -10.350 10.699 1.00 0.00 O ATOM 0 H ASP A 591 0.201 -12.162 12.637 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.189 -10.694 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.288 -11.921 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.471 -10.645 10.832 1.00 0.00 H new ATOM 690 N CYS A 592 -2.342 -13.905 12.586 1.00 0.00 N ATOM 691 CA CYS A 592 -3.167 -15.124 12.651 1.00 0.00 C ATOM 692 C CYS A 592 -3.724 -15.348 14.074 1.00 0.00 C ATOM 693 O CYS A 592 -4.823 -15.882 14.233 1.00 0.00 O ATOM 694 CB CYS A 592 -2.326 -16.332 12.190 1.00 0.00 C ATOM 695 SG CYS A 592 -1.673 -16.145 10.516 1.00 0.00 S ATOM 0 H CYS A 592 -1.350 -14.094 12.440 1.00 0.00 H new ATOM 0 HA CYS A 592 -4.023 -15.008 11.986 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.497 -16.475 12.883 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.939 -17.232 12.236 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.767 -15.213 10.505 1.00 0.00 H new ATOM 701 N MET A 593 -2.945 -14.931 15.101 1.00 0.00 N ATOM 702 CA MET A 593 -3.356 -15.011 16.529 1.00 0.00 C ATOM 703 C MET A 593 -4.464 -13.993 16.807 1.00 0.00 C ATOM 704 O MET A 593 -5.452 -14.297 17.485 1.00 0.00 O ATOM 705 CB MET A 593 -2.132 -14.745 17.457 1.00 0.00 C ATOM 706 CG MET A 593 -1.018 -15.795 17.364 1.00 0.00 C ATOM 707 SD MET A 593 0.533 -15.246 18.118 1.00 0.00 S ATOM 708 CE MET A 593 1.694 -16.447 17.448 1.00 0.00 C ATOM 0 H MET A 593 -2.017 -14.531 14.967 1.00 0.00 H new ATOM 0 HA MET A 593 -3.735 -16.012 16.734 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.714 -13.768 17.213 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.480 -14.694 18.489 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.349 -16.712 17.852 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.841 -16.037 16.316 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.524 -16.578 18.143 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.188 -17.401 17.304 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.075 -16.090 16.491 1.00 0.00 H new ATOM 718 N LYS A 594 -4.264 -12.778 16.257 1.00 0.00 N ATOM 719 CA LYS A 594 -5.232 -11.677 16.351 1.00 0.00 C ATOM 720 C LYS A 594 -6.558 -12.070 15.690 1.00 0.00 C ATOM 721 O LYS A 594 -7.630 -11.871 16.265 1.00 0.00 O ATOM 722 CB LYS A 594 -4.680 -10.392 15.689 1.00 0.00 C ATOM 723 CG LYS A 594 -3.356 -9.811 16.266 1.00 0.00 C ATOM 724 CD LYS A 594 -3.406 -9.407 17.769 1.00 0.00 C ATOM 725 CE LYS A 594 -3.071 -10.568 18.740 1.00 0.00 C ATOM 726 NZ LYS A 594 -3.038 -10.119 20.147 1.00 0.00 N ATOM 0 H LYS A 594 -3.422 -12.537 15.734 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.405 -11.476 17.408 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.527 -10.596 14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.446 -9.620 15.757 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -2.565 -10.549 16.131 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -3.077 -8.935 15.680 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -2.705 -8.590 17.939 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -4.401 -9.027 18.001 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -3.813 -11.359 18.629 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -2.105 -10.997 18.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -2.811 -10.925 20.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -2.313 -9.382 20.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -3.967 -9.733 20.410 1.00 0.00 H new ATOM 740 N ARG A 595 -6.443 -12.671 14.495 1.00 0.00 N ATOM 741 CA ARG A 595 -7.594 -13.055 13.668 1.00 0.00 C ATOM 742 C ARG A 595 -8.377 -14.201 14.337 1.00 0.00 C ATOM 743 O ARG A 595 -9.600 -14.162 14.371 1.00 0.00 O ATOM 744 CB ARG A 595 -7.137 -13.437 12.217 1.00 0.00 C ATOM 745 CG ARG A 595 -7.782 -12.601 11.079 1.00 0.00 C ATOM 746 CD ARG A 595 -9.316 -12.626 11.111 1.00 0.00 C ATOM 747 NE ARG A 595 -9.908 -11.926 9.955 1.00 0.00 N ATOM 748 CZ ARG A 595 -10.605 -10.780 10.008 1.00 0.00 C ATOM 749 NH1 ARG A 595 -10.732 -10.092 11.150 1.00 0.00 N ATOM 750 NH2 ARG A 595 -11.170 -10.305 8.909 1.00 0.00 N ATOM 0 H ARG A 595 -5.543 -12.905 14.075 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.263 -12.199 13.583 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.054 -13.331 12.155 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.365 -14.489 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -7.439 -11.569 11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -7.438 -12.981 10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.661 -13.660 11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -9.666 -12.162 12.033 1.00 0.00 H new ATOM 0 HE ARG A 595 -9.776 -12.349 9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.294 -10.436 12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.267 -9.224 11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -11.075 -10.809 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -11.701 -9.435 8.944 1.00 0.00 H new ATOM 764 N TYR A 596 -7.650 -15.202 14.881 1.00 0.00 N ATOM 765 CA TYR A 596 -8.265 -16.350 15.583 1.00 0.00 C ATOM 766 C TYR A 596 -9.011 -15.888 16.843 1.00 0.00 C ATOM 767 O TYR A 596 -10.083 -16.415 17.160 1.00 0.00 O ATOM 768 CB TYR A 596 -7.190 -17.406 15.938 1.00 0.00 C ATOM 769 CG TYR A 596 -7.675 -18.600 16.784 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.852 -19.292 16.472 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.951 -19.034 17.898 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.277 -20.374 17.224 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.368 -20.118 18.653 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.536 -20.778 18.322 1.00 0.00 C ATOM 775 OH TYR A 596 -8.959 -21.856 19.084 1.00 0.00 O ATOM 0 H TYR A 596 -6.631 -15.237 14.847 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.992 -16.810 14.913 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.766 -17.791 15.011 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.383 -16.908 16.475 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.442 -18.974 15.625 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.047 -18.513 18.176 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -10.181 -20.900 16.956 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.782 -20.447 19.498 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.325 -22.008 19.816 1.00 0.00 H new ATOM 785 N LYS A 597 -8.434 -14.895 17.545 1.00 0.00 N ATOM 786 CA LYS A 597 -9.059 -14.297 18.740 1.00 0.00 C ATOM 787 C LYS A 597 -10.398 -13.655 18.354 1.00 0.00 C ATOM 788 O LYS A 597 -11.388 -13.815 19.056 1.00 0.00 O ATOM 789 CB LYS A 597 -8.133 -13.239 19.396 1.00 0.00 C ATOM 790 CG LYS A 597 -8.593 -12.750 20.795 1.00 0.00 C ATOM 791 CD LYS A 597 -7.750 -11.564 21.315 1.00 0.00 C ATOM 792 CE LYS A 597 -8.058 -11.210 22.781 1.00 0.00 C ATOM 793 NZ LYS A 597 -9.488 -10.842 22.991 1.00 0.00 N ATOM 0 H LYS A 597 -7.531 -14.488 17.303 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.228 -15.090 19.469 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.131 -13.659 19.485 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -8.060 -12.378 18.731 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.641 -12.453 20.746 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.529 -13.575 21.504 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.692 -11.807 21.219 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.934 -10.691 20.689 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -7.807 -12.059 23.417 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.423 -10.380 23.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -9.636 -10.580 23.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -9.732 -10.036 22.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -10.094 -11.653 22.753 1.00 0.00 H new ATOM 807 N GLU A 598 -10.413 -12.953 17.205 1.00 0.00 N ATOM 808 CA GLU A 598 -11.639 -12.348 16.659 1.00 0.00 C ATOM 809 C GLU A 598 -12.676 -13.444 16.312 1.00 0.00 C ATOM 810 O GLU A 598 -13.842 -13.315 16.673 1.00 0.00 O ATOM 811 CB GLU A 598 -11.309 -11.500 15.398 1.00 0.00 C ATOM 812 CG GLU A 598 -10.360 -10.317 15.654 1.00 0.00 C ATOM 813 CD GLU A 598 -9.978 -9.569 14.365 1.00 0.00 C ATOM 814 OE1 GLU A 598 -9.084 -10.040 13.641 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.592 -8.523 14.052 1.00 0.00 O ATOM 0 H GLU A 598 -9.583 -12.791 16.635 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.068 -11.693 17.418 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.863 -12.150 14.645 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.240 -11.118 14.979 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.834 -9.621 16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.454 -10.682 16.139 1.00 0.00 H new ATOM 822 N LEU A 599 -12.210 -14.539 15.647 1.00 0.00 N ATOM 823 CA LEU A 599 -13.088 -15.633 15.146 1.00 0.00 C ATOM 824 C LEU A 599 -13.877 -16.290 16.297 1.00 0.00 C ATOM 825 O LEU A 599 -15.099 -16.464 16.195 1.00 0.00 O ATOM 826 CB LEU A 599 -12.264 -16.716 14.376 1.00 0.00 C ATOM 827 CG LEU A 599 -11.548 -16.246 13.067 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.693 -17.373 12.459 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.551 -15.676 12.042 1.00 0.00 C ATOM 0 H LEU A 599 -11.221 -14.686 15.445 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.798 -15.182 14.453 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.509 -17.116 15.053 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.933 -17.538 14.123 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.872 -15.435 13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.209 -17.013 11.551 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.933 -17.681 13.177 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.330 -18.224 12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.016 -15.360 11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.278 -16.444 11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.068 -14.820 12.476 1.00 0.00 H new ATOM 841 N VAL A 600 -13.168 -16.620 17.399 1.00 0.00 N ATOM 842 CA VAL A 600 -13.783 -17.284 18.562 1.00 0.00 C ATOM 843 C VAL A 600 -14.763 -16.331 19.281 1.00 0.00 C ATOM 844 O VAL A 600 -15.877 -16.731 19.603 1.00 0.00 O ATOM 845 CB VAL A 600 -12.715 -17.878 19.568 1.00 0.00 C ATOM 846 CG1 VAL A 600 -11.753 -16.799 20.134 1.00 0.00 C ATOM 847 CG2 VAL A 600 -13.406 -18.666 20.714 1.00 0.00 C ATOM 0 H VAL A 600 -12.170 -16.436 17.504 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.346 -18.135 18.179 1.00 0.00 H new ATOM 0 HB VAL A 600 -12.100 -18.571 18.993 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.044 -17.266 20.817 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -11.211 -16.329 19.314 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -12.328 -16.043 20.669 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -12.649 -19.063 21.390 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -14.071 -18.000 21.264 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -13.984 -19.489 20.293 1.00 0.00 H new ATOM 857 N GLU A 601 -14.367 -15.057 19.468 1.00 0.00 N ATOM 858 CA GLU A 601 -15.198 -14.060 20.179 1.00 0.00 C ATOM 859 C GLU A 601 -16.492 -13.736 19.405 1.00 0.00 C ATOM 860 O GLU A 601 -17.535 -13.475 20.019 1.00 0.00 O ATOM 861 CB GLU A 601 -14.389 -12.768 20.451 1.00 0.00 C ATOM 862 CG GLU A 601 -13.194 -12.949 21.412 1.00 0.00 C ATOM 863 CD GLU A 601 -13.571 -13.592 22.755 1.00 0.00 C ATOM 864 OE1 GLU A 601 -14.234 -12.930 23.579 1.00 0.00 O ATOM 865 OE2 GLU A 601 -13.197 -14.760 23.002 1.00 0.00 O ATOM 0 H GLU A 601 -13.475 -14.691 19.136 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.488 -14.499 21.134 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -14.020 -12.380 19.502 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -15.060 -12.015 20.864 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.438 -13.564 20.925 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.740 -11.976 21.600 1.00 0.00 H new ATOM 872 N MET A 602 -16.419 -13.777 18.061 1.00 0.00 N ATOM 873 CA MET A 602 -17.576 -13.490 17.197 1.00 0.00 C ATOM 874 C MET A 602 -18.600 -14.638 17.259 1.00 0.00 C ATOM 875 O MET A 602 -19.792 -14.384 17.437 1.00 0.00 O ATOM 876 CB MET A 602 -17.126 -13.203 15.734 1.00 0.00 C ATOM 877 CG MET A 602 -16.404 -11.847 15.538 1.00 0.00 C ATOM 878 SD MET A 602 -15.988 -11.481 13.811 1.00 0.00 S ATOM 879 CE MET A 602 -14.781 -12.752 13.422 1.00 0.00 C ATOM 0 H MET A 602 -15.567 -14.007 17.550 1.00 0.00 H new ATOM 0 HA MET A 602 -18.064 -12.589 17.569 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.463 -14.004 15.408 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.002 -13.231 15.086 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.038 -11.049 15.926 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.489 -11.844 16.131 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.462 -12.646 12.385 1.00 0.00 H new ATOM 0 HE2 MET A 602 -13.918 -12.648 14.080 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.229 -13.735 13.565 1.00 0.00 H new ATOM 889 N VAL A 603 -18.131 -15.900 17.158 1.00 0.00 N ATOM 890 CA VAL A 603 -19.029 -17.078 17.187 1.00 0.00 C ATOM 891 C VAL A 603 -19.640 -17.281 18.595 1.00 0.00 C ATOM 892 O VAL A 603 -20.738 -17.836 18.722 1.00 0.00 O ATOM 893 CB VAL A 603 -18.321 -18.396 16.693 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.785 -18.233 15.245 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.203 -18.859 17.665 1.00 0.00 C ATOM 0 H VAL A 603 -17.143 -16.130 17.056 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.835 -16.868 16.484 1.00 0.00 H new ATOM 0 HB VAL A 603 -19.075 -19.183 16.684 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.301 -19.158 14.930 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.614 -18.010 14.573 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.063 -17.417 15.214 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.744 -19.771 17.283 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.447 -18.079 17.748 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.633 -19.053 18.648 1.00 0.00 H new ATOM 905 N LYS A 604 -18.912 -16.817 19.642 1.00 0.00 N ATOM 906 CA LYS A 604 -19.420 -16.774 21.026 1.00 0.00 C ATOM 907 C LYS A 604 -20.625 -15.824 21.108 1.00 0.00 C ATOM 908 O LYS A 604 -21.673 -16.198 21.620 1.00 0.00 O ATOM 909 CB LYS A 604 -18.311 -16.295 22.009 1.00 0.00 C ATOM 910 CG LYS A 604 -17.217 -17.334 22.329 1.00 0.00 C ATOM 911 CD LYS A 604 -16.017 -16.721 23.088 1.00 0.00 C ATOM 912 CE LYS A 604 -16.426 -15.991 24.384 1.00 0.00 C ATOM 913 NZ LYS A 604 -15.276 -15.336 25.041 1.00 0.00 N ATOM 0 H LYS A 604 -17.960 -16.464 19.545 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.726 -17.781 21.311 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.835 -15.409 21.589 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.784 -15.991 22.943 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.648 -18.137 22.927 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.864 -17.782 21.400 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -15.308 -17.512 23.333 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.500 -16.021 22.432 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -17.185 -15.244 24.154 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -16.879 -16.704 25.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -15.469 -15.234 26.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -14.423 -15.916 24.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -15.125 -14.397 24.621 1.00 0.00 H new ATOM 927 N ALA A 605 -20.454 -14.608 20.557 1.00 0.00 N ATOM 928 CA ALA A 605 -21.471 -13.540 20.623 1.00 0.00 C ATOM 929 C ALA A 605 -22.710 -13.870 19.754 1.00 0.00 C ATOM 930 O ALA A 605 -23.822 -13.443 20.073 1.00 0.00 O ATOM 931 CB ALA A 605 -20.847 -12.198 20.216 1.00 0.00 C ATOM 0 H ALA A 605 -19.609 -14.338 20.054 1.00 0.00 H new ATOM 0 HA ALA A 605 -21.820 -13.466 21.653 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -21.603 -11.415 20.267 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -20.028 -11.957 20.894 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -20.466 -12.268 19.197 1.00 0.00 H new ATOM 937 N LYS A 606 -22.504 -14.632 18.662 1.00 0.00 N ATOM 938 CA LYS A 606 -23.603 -15.097 17.788 1.00 0.00 C ATOM 939 C LYS A 606 -24.468 -16.144 18.522 1.00 0.00 C ATOM 940 O LYS A 606 -25.700 -16.004 18.614 1.00 0.00 O ATOM 941 CB LYS A 606 -23.029 -15.689 16.469 1.00 0.00 C ATOM 942 CG LYS A 606 -22.338 -14.662 15.544 1.00 0.00 C ATOM 943 CD LYS A 606 -21.735 -15.301 14.267 1.00 0.00 C ATOM 944 CE LYS A 606 -22.796 -15.940 13.345 1.00 0.00 C ATOM 945 NZ LYS A 606 -23.797 -14.950 12.868 1.00 0.00 N ATOM 0 H LYS A 606 -21.580 -14.941 18.361 1.00 0.00 H new ATOM 0 HA LYS A 606 -24.235 -14.245 17.538 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.312 -16.471 16.720 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.840 -16.165 15.918 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.061 -13.899 15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.547 -14.157 16.099 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -21.191 -14.538 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -21.010 -16.062 14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -22.302 -16.396 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -23.306 -16.740 13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -24.427 -15.400 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -24.358 -14.608 13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -23.307 -14.148 12.422 1.00 0.00 H new ATOM 959 N LYS A 607 -23.790 -17.184 19.055 1.00 0.00 N ATOM 960 CA LYS A 607 -24.439 -18.281 19.799 1.00 0.00 C ATOM 961 C LYS A 607 -25.189 -17.741 21.022 1.00 0.00 C ATOM 962 O LYS A 607 -26.358 -18.048 21.217 1.00 0.00 O ATOM 963 CB LYS A 607 -23.383 -19.337 20.236 1.00 0.00 C ATOM 964 CG LYS A 607 -23.927 -20.463 21.149 1.00 0.00 C ATOM 965 CD LYS A 607 -22.840 -21.477 21.574 1.00 0.00 C ATOM 966 CE LYS A 607 -23.365 -22.523 22.581 1.00 0.00 C ATOM 967 NZ LYS A 607 -24.491 -23.319 22.029 1.00 0.00 N ATOM 0 H LYS A 607 -22.778 -17.285 18.980 1.00 0.00 H new ATOM 0 HA LYS A 607 -25.162 -18.760 19.139 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.952 -19.790 19.343 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -22.573 -18.826 20.757 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -24.369 -20.018 22.041 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -24.725 -20.992 20.628 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -22.460 -21.988 20.690 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -22.001 -20.940 22.017 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.553 -23.193 22.863 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -23.691 -22.018 23.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -25.369 -23.071 22.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -24.599 -23.111 21.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -24.295 -24.332 22.156 1.00 0.00 H new ATOM 981 N ALA A 608 -24.495 -16.899 21.799 1.00 0.00 N ATOM 982 CA ALA A 608 -24.999 -16.358 23.073 1.00 0.00 C ATOM 983 C ALA A 608 -26.291 -15.550 22.876 1.00 0.00 C ATOM 984 O ALA A 608 -27.304 -15.831 23.521 1.00 0.00 O ATOM 985 CB ALA A 608 -23.916 -15.485 23.724 1.00 0.00 C ATOM 0 H ALA A 608 -23.559 -16.570 21.561 1.00 0.00 H new ATOM 0 HA ALA A 608 -25.237 -17.196 23.729 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -24.289 -15.085 24.667 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -23.027 -16.088 23.912 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.662 -14.662 23.056 1.00 0.00 H new ATOM 991 N ALA A 609 -26.233 -14.578 21.943 1.00 0.00 N ATOM 992 CA ALA A 609 -27.342 -13.643 21.678 1.00 0.00 C ATOM 993 C ALA A 609 -28.637 -14.380 21.290 1.00 0.00 C ATOM 994 O ALA A 609 -29.710 -14.108 21.843 1.00 0.00 O ATOM 995 CB ALA A 609 -26.942 -12.652 20.575 1.00 0.00 C ATOM 0 H ALA A 609 -25.416 -14.420 21.353 1.00 0.00 H new ATOM 0 HA ALA A 609 -27.542 -13.098 22.600 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -27.767 -11.965 20.386 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -26.066 -12.087 20.894 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -26.709 -13.199 19.662 1.00 0.00 H new ATOM 1001 N GLN A 610 -28.508 -15.323 20.343 1.00 0.00 N ATOM 1002 CA GLN A 610 -29.659 -16.068 19.789 1.00 0.00 C ATOM 1003 C GLN A 610 -30.189 -17.136 20.773 1.00 0.00 C ATOM 1004 O GLN A 610 -31.402 -17.263 20.959 1.00 0.00 O ATOM 1005 CB GLN A 610 -29.290 -16.683 18.404 1.00 0.00 C ATOM 1006 CG GLN A 610 -29.379 -15.699 17.202 1.00 0.00 C ATOM 1007 CD GLN A 610 -28.539 -14.417 17.346 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -27.369 -14.376 16.967 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -29.139 -13.361 17.884 1.00 0.00 N ATOM 0 H GLN A 610 -27.611 -15.592 19.939 1.00 0.00 H new ATOM 0 HA GLN A 610 -30.476 -15.362 19.639 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -28.275 -17.077 18.457 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -29.950 -17.529 18.211 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -29.063 -16.222 16.299 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -30.422 -15.417 17.059 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -30.110 -13.426 18.189 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -28.628 -12.485 17.992 1.00 0.00 H new ATOM 1018 N GLU A 611 -29.275 -17.867 21.426 1.00 0.00 N ATOM 1019 CA GLU A 611 -29.627 -19.030 22.277 1.00 0.00 C ATOM 1020 C GLU A 611 -30.291 -18.594 23.599 1.00 0.00 C ATOM 1021 O GLU A 611 -31.194 -19.281 24.082 1.00 0.00 O ATOM 1022 CB GLU A 611 -28.364 -19.892 22.562 1.00 0.00 C ATOM 1023 CG GLU A 611 -28.607 -21.175 23.386 1.00 0.00 C ATOM 1024 CD GLU A 611 -27.324 -21.990 23.638 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -26.465 -21.536 24.421 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -27.165 -23.089 23.067 1.00 0.00 O ATOM 0 H GLU A 611 -28.274 -17.676 21.385 1.00 0.00 H new ATOM 0 HA GLU A 611 -30.353 -19.631 21.729 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -27.914 -20.173 21.609 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -27.636 -19.275 23.089 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -29.051 -20.904 24.344 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -29.331 -21.802 22.865 1.00 0.00 H new ATOM 1033 N GLN A 612 -29.843 -17.452 24.176 1.00 0.00 N ATOM 1034 CA GLN A 612 -30.374 -16.953 25.474 1.00 0.00 C ATOM 1035 C GLN A 612 -31.859 -16.544 25.340 1.00 0.00 C ATOM 1036 O GLN A 612 -32.664 -16.792 26.242 1.00 0.00 O ATOM 1037 CB GLN A 612 -29.509 -15.772 26.029 1.00 0.00 C ATOM 1038 CG GLN A 612 -29.596 -14.452 25.231 1.00 0.00 C ATOM 1039 CD GLN A 612 -28.625 -13.376 25.707 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -27.513 -13.261 25.198 1.00 0.00 O ATOM 1041 NE2 GLN A 612 -29.023 -12.598 26.695 1.00 0.00 N ATOM 0 H GLN A 612 -29.119 -16.860 23.768 1.00 0.00 H new ATOM 0 HA GLN A 612 -30.313 -17.768 26.195 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -29.811 -15.575 27.058 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -28.467 -16.090 26.059 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -29.403 -14.662 24.179 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -30.613 -14.065 25.298 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -29.953 -12.719 27.096 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -28.401 -11.876 27.058 1.00 0.00 H new ATOM 1050 N VAL A 613 -32.203 -15.940 24.185 1.00 0.00 N ATOM 1051 CA VAL A 613 -33.575 -15.491 23.881 1.00 0.00 C ATOM 1052 C VAL A 613 -34.435 -16.690 23.420 1.00 0.00 C ATOM 1053 O VAL A 613 -35.636 -16.761 23.722 1.00 0.00 O ATOM 1054 CB VAL A 613 -33.576 -14.359 22.785 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -35.015 -13.866 22.461 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -32.662 -13.176 23.203 1.00 0.00 C ATOM 0 H VAL A 613 -31.536 -15.750 23.437 1.00 0.00 H new ATOM 0 HA VAL A 613 -34.006 -15.073 24.791 1.00 0.00 H new ATOM 0 HB VAL A 613 -33.171 -14.794 21.872 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -34.970 -13.086 21.701 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -35.610 -14.700 22.090 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -35.475 -13.466 23.365 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -32.682 -12.410 22.428 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -33.021 -12.753 24.141 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -31.641 -13.534 23.333 1.00 0.00 H new ATOM 1066 N LEU A 614 -33.792 -17.640 22.709 1.00 0.00 N ATOM 1067 CA LEU A 614 -34.451 -18.862 22.213 1.00 0.00 C ATOM 1068 C LEU A 614 -34.879 -19.752 23.392 1.00 0.00 C ATOM 1069 O LEU A 614 -35.944 -20.348 23.347 1.00 0.00 O ATOM 1070 CB LEU A 614 -33.512 -19.645 21.246 1.00 0.00 C ATOM 1071 CG LEU A 614 -34.088 -20.958 20.614 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -35.396 -20.696 19.841 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -33.032 -21.654 19.725 1.00 0.00 C ATOM 0 H LEU A 614 -32.804 -17.580 22.464 1.00 0.00 H new ATOM 0 HA LEU A 614 -35.341 -18.571 21.656 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -33.224 -18.976 20.436 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -32.601 -19.900 21.788 1.00 0.00 H new ATOM 0 HG LEU A 614 -34.334 -21.636 21.432 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -35.763 -21.632 19.418 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -36.144 -20.287 20.520 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -35.207 -19.984 19.037 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -33.457 -22.563 19.299 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -32.733 -20.981 18.921 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -32.160 -21.909 20.328 1.00 0.00 H new ATOM 1085 N ASN A 615 -34.044 -19.803 24.450 1.00 0.00 N ATOM 1086 CA ASN A 615 -34.325 -20.585 25.682 1.00 0.00 C ATOM 1087 C ASN A 615 -35.628 -20.115 26.367 1.00 0.00 C ATOM 1088 O ASN A 615 -36.399 -20.931 26.902 1.00 0.00 O ATOM 1089 CB ASN A 615 -33.120 -20.478 26.654 1.00 0.00 C ATOM 1090 CG ASN A 615 -33.372 -21.104 28.035 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -33.765 -20.416 28.973 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -33.167 -22.408 28.159 1.00 0.00 N ATOM 0 H ASN A 615 -33.154 -19.305 24.479 1.00 0.00 H new ATOM 0 HA ASN A 615 -34.467 -21.629 25.403 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -32.256 -20.962 26.199 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -32.864 -19.427 26.785 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -33.336 -22.868 29.053 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -32.840 -22.951 27.360 1.00 0.00 H new ATOM 1099 N ALA A 616 -35.849 -18.788 26.338 1.00 0.00 N ATOM 1100 CA ALA A 616 -37.090 -18.165 26.833 1.00 0.00 C ATOM 1101 C ALA A 616 -38.300 -18.655 26.008 1.00 0.00 C ATOM 1102 O ALA A 616 -39.357 -18.976 26.560 1.00 0.00 O ATOM 1103 CB ALA A 616 -36.968 -16.628 26.784 1.00 0.00 C ATOM 0 H ALA A 616 -35.173 -18.118 25.971 1.00 0.00 H new ATOM 0 HA ALA A 616 -37.248 -18.460 27.870 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -37.890 -16.178 27.152 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -36.134 -16.309 27.409 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -36.794 -16.309 25.756 1.00 0.00 H new ATOM 1109 N SER A 617 -38.105 -18.737 24.677 1.00 0.00 N ATOM 1110 CA SER A 617 -39.132 -19.196 23.722 1.00 0.00 C ATOM 1111 C SER A 617 -39.319 -20.737 23.778 1.00 0.00 C ATOM 1112 O SER A 617 -40.343 -21.260 23.319 1.00 0.00 O ATOM 1113 CB SER A 617 -38.725 -18.735 22.303 1.00 0.00 C ATOM 1114 OG SER A 617 -38.521 -17.326 22.274 1.00 0.00 O ATOM 0 H SER A 617 -37.223 -18.484 24.231 1.00 0.00 H new ATOM 0 HA SER A 617 -40.093 -18.757 23.990 1.00 0.00 H new ATOM 0 HB2 SER A 617 -37.813 -19.247 21.996 1.00 0.00 H new ATOM 0 HB3 SER A 617 -39.501 -19.011 21.589 1.00 0.00 H new ATOM 0 HG SER A 617 -37.681 -17.108 22.729 1.00 0.00 H new ATOM 1120 N ARG A 618 -38.312 -21.451 24.324 1.00 0.00 N ATOM 1121 CA ARG A 618 -38.385 -22.909 24.572 1.00 0.00 C ATOM 1122 C ARG A 618 -39.203 -23.206 25.845 1.00 0.00 C ATOM 1123 O ARG A 618 -39.807 -24.288 25.965 1.00 0.00 O ATOM 1124 CB ARG A 618 -36.958 -23.520 24.715 1.00 0.00 C ATOM 1125 CG ARG A 618 -36.082 -23.459 23.445 1.00 0.00 C ATOM 1126 CD ARG A 618 -36.614 -24.329 22.301 1.00 0.00 C ATOM 1127 NE ARG A 618 -35.799 -24.196 21.081 1.00 0.00 N ATOM 1128 CZ ARG A 618 -34.761 -24.998 20.739 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -34.329 -25.971 21.553 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -34.147 -24.808 19.575 1.00 0.00 N ATOM 0 H ARG A 618 -37.425 -21.034 24.606 1.00 0.00 H new ATOM 0 HA ARG A 618 -38.881 -23.366 23.716 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -36.438 -23.001 25.520 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -37.056 -24.562 25.019 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -36.017 -22.425 23.106 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -35.070 -23.777 23.694 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -36.628 -25.373 22.616 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -37.644 -24.049 22.081 1.00 0.00 H new ATOM 0 HE ARG A 618 -36.035 -23.438 20.441 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -34.783 -26.122 22.454 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -33.546 -26.561 21.272 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -34.458 -24.065 18.950 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -33.365 -25.406 19.307 1.00 0.00 H new ATOM 1144 N ALA A 619 -39.193 -22.222 26.780 1.00 0.00 N ATOM 1145 CA ALA A 619 -39.815 -22.329 28.114 1.00 0.00 C ATOM 1146 C ALA A 619 -39.145 -23.456 28.931 1.00 0.00 C ATOM 1147 O ALA A 619 -39.771 -24.092 29.780 1.00 0.00 O ATOM 1148 CB ALA A 619 -41.342 -22.508 27.988 1.00 0.00 C ATOM 0 H ALA A 619 -38.744 -21.320 26.620 1.00 0.00 H new ATOM 0 HA ALA A 619 -39.653 -21.401 28.662 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -41.783 -22.585 28.982 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -41.767 -21.650 27.468 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -41.557 -23.416 27.425 1.00 0.00 H new ATOM 1154 N LYS A 620 -37.840 -23.657 28.668 1.00 0.00 N ATOM 1155 CA LYS A 620 -37.028 -24.731 29.291 1.00 0.00 C ATOM 1156 C LYS A 620 -36.319 -24.204 30.569 1.00 0.00 C ATOM 1157 O LYS A 620 -35.447 -24.867 31.138 1.00 0.00 O ATOM 1158 CB LYS A 620 -35.996 -25.279 28.247 1.00 0.00 C ATOM 1159 CG LYS A 620 -35.302 -26.621 28.620 1.00 0.00 C ATOM 1160 CD LYS A 620 -36.302 -27.794 28.779 1.00 0.00 C ATOM 1161 CE LYS A 620 -35.620 -29.119 29.164 1.00 0.00 C ATOM 1162 NZ LYS A 620 -36.584 -30.242 29.266 1.00 0.00 N ATOM 0 H LYS A 620 -37.312 -23.078 28.015 1.00 0.00 H new ATOM 0 HA LYS A 620 -37.680 -25.550 29.594 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -36.507 -25.409 27.293 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -35.225 -24.523 28.095 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -34.573 -26.874 27.850 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -34.750 -26.492 29.551 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -37.038 -27.536 29.541 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -36.845 -27.930 27.844 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -34.860 -29.362 28.422 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -35.107 -28.997 30.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -36.077 -31.112 29.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -37.295 -30.024 29.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -37.056 -30.379 28.349 1.00 0.00 H new ATOM 1176 N LYS A 621 -36.731 -23.016 31.029 1.00 0.00 N ATOM 1177 CA LYS A 621 -36.141 -22.341 32.189 1.00 0.00 C ATOM 1178 C LYS A 621 -37.237 -21.514 32.897 1.00 0.00 C ATOM 1179 CB LYS A 621 -34.954 -21.450 31.736 1.00 0.00 C ATOM 1180 CG LYS A 621 -34.202 -20.733 32.879 1.00 0.00 C ATOM 1181 CD LYS A 621 -32.970 -19.937 32.376 1.00 0.00 C ATOM 1182 CE LYS A 621 -31.904 -20.842 31.726 1.00 0.00 C ATOM 1183 NZ LYS A 621 -30.709 -20.088 31.288 1.00 0.00 N ATOM 0 H LYS A 621 -37.493 -22.491 30.600 1.00 0.00 H new ATOM 0 HA LYS A 621 -35.749 -23.074 32.894 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -34.244 -22.068 31.186 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -35.328 -20.699 31.040 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -34.885 -20.054 33.388 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -33.878 -21.470 33.614 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -33.296 -19.189 31.653 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -32.524 -19.399 33.212 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -31.603 -21.611 32.437 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -32.341 -21.354 30.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -30.024 -20.742 30.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -30.988 -19.371 30.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -30.273 -19.620 32.109 1.00 0.00 H new TER 1197 LYS A 621