USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 880 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 592 HIS : no HD1:sc= -0.0221 X(o=-0.95,f=-1.1) USER MOD Set 1.2: A 640 TYR OH : rot 180:sc= -0.924 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.6) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 597 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.83) USER MOD Single : A 601 SER OG : rot -9:sc= 0.183 USER MOD Single : A 602 HIS : no HD1:sc= -0.0665 X(o=-0.067,f=0) USER MOD Single : A 605 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 614 THR OG1 : rot 48:sc= 0.741 USER MOD Single : A 621 LYS NZ :NH3+ -167:sc= -0.0374 (180deg=-0.279) USER MOD Single : A 625 MET CE :methyl -151:sc= -0.866 (180deg=-1.77) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 631 TYR OH : rot 30:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 160:sc= -0.0611 (180deg=-0.456) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 153:sc= -0.64 (180deg=-1.18) USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.068 F(o=-1.2!,f=-0.068) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 30:sc= 0 USER MOD Single : A 650 TYR OH : rot -15:sc= 0 USER MOD Single : A 651 HIS : no HE2:sc= 0.722 K(o=0.72,f=-2.5!) USER MOD Single : A 656 LYS NZ :NH3+ -125:sc= 2.43 (180deg=0.238) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 662 LYS NZ :NH3+ 171:sc=-0.00881 (180deg=-0.103) USER MOD Single : A 667 LYS NZ :NH3+ -131:sc= -0.0105 (180deg=-0.279) USER MOD Single : A 670 SER OG : rot 180:sc=-0.00308 USER MOD Single : B 843 ASN :FLIP amide:sc=-0.000113 F(o=-0.91,f=-0.00011) USER MOD Single : B 847 SER OG : rot 180:sc= 0.00266 USER MOD Single : B 850 MET CE :methyl 137:sc= -3.61! (180deg=-5.31!) USER MOD Single : B 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 856 ASN :FLIP amide:sc= -0.0963 F(o=-1,f=-0.096) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 24.617 -9.278 2.191 1.00 0.00 N ATOM 2 CA GLY A 586 23.534 -8.862 3.058 1.00 0.00 C ATOM 3 C GLY A 586 24.012 -8.613 4.472 1.00 0.00 C ATOM 4 O GLY A 586 24.210 -9.552 5.244 1.00 0.00 O ATOM 0 HA2 GLY A 586 23.080 -7.954 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 586 22.759 -9.629 3.066 1.00 0.00 H new ATOM 8 N VAL A 587 24.177 -7.348 4.822 1.00 0.00 N ATOM 9 CA VAL A 587 24.722 -6.965 6.118 1.00 0.00 C ATOM 10 C VAL A 587 24.026 -5.699 6.602 1.00 0.00 C ATOM 11 O VAL A 587 23.362 -5.016 5.821 1.00 0.00 O ATOM 12 CB VAL A 587 26.250 -6.723 6.062 1.00 0.00 C ATOM 13 CG1 VAL A 587 27.006 -8.035 5.906 1.00 0.00 C ATOM 14 CG2 VAL A 587 26.609 -5.771 4.932 1.00 0.00 C ATOM 0 H VAL A 587 23.939 -6.560 4.220 1.00 0.00 H new ATOM 0 HA VAL A 587 24.544 -7.789 6.809 1.00 0.00 H new ATOM 0 HB VAL A 587 26.547 -6.266 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 587 28.077 -7.836 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 587 26.787 -8.684 6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 587 26.697 -8.526 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 587 27.688 -5.618 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 587 26.287 -6.197 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 587 26.109 -4.815 5.089 1.00 0.00 H new ATOM 24 N ARG A 588 24.177 -5.391 7.888 1.00 0.00 N ATOM 25 CA ARG A 588 23.486 -4.254 8.504 1.00 0.00 C ATOM 26 C ARG A 588 24.127 -2.919 8.119 1.00 0.00 C ATOM 27 O ARG A 588 23.845 -1.887 8.720 1.00 0.00 O ATOM 28 CB ARG A 588 23.435 -4.422 10.039 1.00 0.00 C ATOM 29 CG ARG A 588 24.789 -4.340 10.749 1.00 0.00 C ATOM 30 CD ARG A 588 25.123 -2.916 11.169 1.00 0.00 C ATOM 31 NE ARG A 588 24.098 -2.350 12.050 1.00 0.00 N ATOM 32 CZ ARG A 588 23.719 -1.071 12.037 1.00 0.00 C ATOM 33 NH1 ARG A 588 24.257 -0.221 11.171 1.00 0.00 N ATOM 34 NH2 ARG A 588 22.788 -0.647 12.886 1.00 0.00 N ATOM 0 H ARG A 588 24.774 -5.914 8.529 1.00 0.00 H new ATOM 0 HA ARG A 588 22.466 -4.240 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 588 22.780 -3.655 10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 588 22.980 -5.386 10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 588 24.778 -4.985 11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 588 25.569 -4.716 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 588 26.086 -2.905 11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 588 25.225 -2.291 10.282 1.00 0.00 H new ATOM 0 HE ARG A 588 23.645 -2.975 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 588 24.964 -0.545 10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 588 23.963 0.756 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 588 22.365 -1.299 13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 588 22.497 0.331 12.877 1.00 0.00 H new ATOM 48 N LYS A 589 25.007 -2.956 7.137 1.00 0.00 N ATOM 49 CA LYS A 589 25.555 -1.750 6.539 1.00 0.00 C ATOM 50 C LYS A 589 25.425 -1.830 5.020 1.00 0.00 C ATOM 51 O LYS A 589 25.921 -2.772 4.404 1.00 0.00 O ATOM 52 CB LYS A 589 27.015 -1.598 6.955 1.00 0.00 C ATOM 53 CG LYS A 589 27.785 -0.559 6.151 1.00 0.00 C ATOM 54 CD LYS A 589 29.270 -0.572 6.483 1.00 0.00 C ATOM 55 CE LYS A 589 29.519 -0.286 7.952 1.00 0.00 C ATOM 56 NZ LYS A 589 30.967 -0.302 8.285 1.00 0.00 N ATOM 0 H LYS A 589 25.363 -3.821 6.730 1.00 0.00 H new ATOM 0 HA LYS A 589 25.003 -0.877 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 589 27.055 -1.328 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 589 27.513 -2.562 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 589 27.649 -0.750 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 589 27.377 0.431 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 589 29.692 -1.543 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 589 29.785 0.172 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 589 29.099 0.687 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 589 28.999 -1.027 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 31.093 -0.102 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 31.363 -1.238 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 31.460 0.423 7.725 1.00 0.00 H new ATOM 70 N GLY A 590 24.749 -0.862 4.415 1.00 0.00 N ATOM 71 CA GLY A 590 24.480 -0.935 2.992 1.00 0.00 C ATOM 72 C GLY A 590 23.099 -1.495 2.739 1.00 0.00 C ATOM 73 O GLY A 590 22.924 -2.441 1.971 1.00 0.00 O ATOM 0 H GLY A 590 24.384 -0.032 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 590 24.562 0.058 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 590 25.227 -1.563 2.507 1.00 0.00 H new ATOM 77 N TRP A 591 22.120 -0.913 3.410 1.00 0.00 N ATOM 78 CA TRP A 591 20.756 -1.416 3.373 1.00 0.00 C ATOM 79 C TRP A 591 19.990 -0.864 2.177 1.00 0.00 C ATOM 80 O TRP A 591 19.620 -1.597 1.261 1.00 0.00 O ATOM 81 CB TRP A 591 19.998 -1.046 4.649 1.00 0.00 C ATOM 82 CG TRP A 591 20.849 -0.479 5.743 1.00 0.00 C ATOM 83 CD1 TRP A 591 21.337 -1.147 6.821 1.00 0.00 C ATOM 84 CD2 TRP A 591 21.296 0.877 5.873 1.00 0.00 C ATOM 85 NE1 TRP A 591 22.058 -0.293 7.616 1.00 0.00 N ATOM 86 CE2 TRP A 591 22.049 0.955 7.057 1.00 0.00 C ATOM 87 CE3 TRP A 591 21.133 2.030 5.102 1.00 0.00 C ATOM 88 CZ2 TRP A 591 22.637 2.142 7.491 1.00 0.00 C ATOM 89 CZ3 TRP A 591 21.716 3.206 5.533 1.00 0.00 C ATOM 90 CH2 TRP A 591 22.461 3.253 6.717 1.00 0.00 C ATOM 0 H TRP A 591 22.245 -0.085 3.992 1.00 0.00 H new ATOM 0 HA TRP A 591 20.825 -2.500 3.288 1.00 0.00 H new ATOM 0 HB2 TRP A 591 19.224 -0.321 4.398 1.00 0.00 H new ATOM 0 HB3 TRP A 591 19.492 -1.935 5.025 1.00 0.00 H new ATOM 0 HD1 TRP A 591 21.180 -2.196 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 591 22.526 -0.548 8.486 1.00 0.00 H new ATOM 0 HE3 TRP A 591 20.562 2.003 4.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 23.210 2.181 8.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 21.595 4.105 4.946 1.00 0.00 H new ATOM 0 HH2 TRP A 591 22.906 4.188 7.025 1.00 0.00 H new ATOM 101 N HIS A 592 19.787 0.447 2.185 1.00 0.00 N ATOM 102 CA HIS A 592 18.848 1.097 1.268 1.00 0.00 C ATOM 103 C HIS A 592 19.430 1.323 -0.111 1.00 0.00 C ATOM 104 O HIS A 592 18.753 1.871 -0.966 1.00 0.00 O ATOM 105 CB HIS A 592 18.382 2.453 1.814 1.00 0.00 C ATOM 106 CG HIS A 592 17.101 2.411 2.589 1.00 0.00 C ATOM 107 ND1 HIS A 592 16.954 2.991 3.832 1.00 0.00 N ATOM 108 CD2 HIS A 592 15.888 1.902 2.269 1.00 0.00 C ATOM 109 CE1 HIS A 592 15.709 2.841 4.239 1.00 0.00 C ATOM 110 NE2 HIS A 592 15.041 2.185 3.310 1.00 0.00 N ATOM 0 H HIS A 592 20.262 1.089 2.820 1.00 0.00 H new ATOM 0 HA HIS A 592 18.006 0.410 1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 592 19.165 2.859 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 592 18.263 3.144 0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 592 15.635 1.372 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 592 15.304 3.196 5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 592 14.055 1.930 3.358 1.00 0.00 H new ATOM 119 N GLU A 593 20.661 0.909 -0.357 1.00 0.00 N ATOM 120 CA GLU A 593 21.310 1.246 -1.610 1.00 0.00 C ATOM 121 C GLU A 593 20.589 0.620 -2.812 1.00 0.00 C ATOM 122 O GLU A 593 20.324 1.303 -3.801 1.00 0.00 O ATOM 123 CB GLU A 593 22.796 0.859 -1.551 1.00 0.00 C ATOM 124 CG GLU A 593 23.081 -0.627 -1.371 1.00 0.00 C ATOM 125 CD GLU A 593 23.339 -1.337 -2.684 1.00 0.00 C ATOM 126 OE1 GLU A 593 24.226 -0.887 -3.441 1.00 0.00 O ATOM 127 OE2 GLU A 593 22.663 -2.349 -2.963 1.00 0.00 O ATOM 0 H GLU A 593 21.223 0.348 0.283 1.00 0.00 H new ATOM 0 HA GLU A 593 21.250 2.325 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.277 1.195 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.263 1.403 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.947 -0.750 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 593 22.235 -1.097 -0.869 1.00 0.00 H new ATOM 134 N HIS A 594 20.263 -0.670 -2.724 1.00 0.00 N ATOM 135 CA HIS A 594 19.539 -1.361 -3.804 1.00 0.00 C ATOM 136 C HIS A 594 18.077 -0.923 -3.953 1.00 0.00 C ATOM 137 O HIS A 594 17.335 -1.533 -4.723 1.00 0.00 O ATOM 138 CB HIS A 594 19.604 -2.890 -3.636 1.00 0.00 C ATOM 139 CG HIS A 594 19.189 -3.399 -2.285 1.00 0.00 C ATOM 140 ND1 HIS A 594 17.910 -3.824 -1.990 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.908 -3.572 -1.152 1.00 0.00 C ATOM 142 CE1 HIS A 594 17.865 -4.236 -0.735 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.064 -4.093 -0.206 1.00 0.00 N ATOM 0 H HIS A 594 20.485 -1.260 -1.922 1.00 0.00 H new ATOM 0 HA HIS A 594 20.054 -1.069 -4.719 1.00 0.00 H new ATOM 0 HB2 HIS A 594 18.968 -3.351 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 594 20.624 -3.219 -3.834 1.00 0.00 H new ATOM 0 HD2 HIS A 594 20.955 -3.342 -1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 594 16.994 -4.624 -0.229 1.00 0.00 H new ATOM 0 HE2 HIS A 594 19.322 -4.331 0.752 1.00 0.00 H new ATOM 152 N VAL A 595 17.649 0.103 -3.228 1.00 0.00 N ATOM 153 CA VAL A 595 16.312 0.656 -3.429 1.00 0.00 C ATOM 154 C VAL A 595 16.368 2.180 -3.468 1.00 0.00 C ATOM 155 O VAL A 595 16.986 2.808 -2.616 1.00 0.00 O ATOM 156 CB VAL A 595 15.330 0.214 -2.316 1.00 0.00 C ATOM 157 CG1 VAL A 595 13.960 0.855 -2.510 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.204 -1.302 -2.272 1.00 0.00 C ATOM 0 H VAL A 595 18.199 0.565 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 595 15.947 0.272 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 595 15.735 0.553 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.290 0.528 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.058 1.940 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 595 13.552 0.556 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 595 14.509 -1.587 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 595 14.832 -1.664 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.181 -1.743 -2.072 1.00 0.00 H new ATOM 168 N THR A 596 15.724 2.772 -4.454 1.00 0.00 N ATOM 169 CA THR A 596 15.636 4.218 -4.526 1.00 0.00 C ATOM 170 C THR A 596 14.377 4.701 -3.813 1.00 0.00 C ATOM 171 O THR A 596 13.389 3.967 -3.725 1.00 0.00 O ATOM 172 CB THR A 596 15.660 4.721 -5.991 1.00 0.00 C ATOM 173 OG1 THR A 596 15.341 6.118 -6.054 1.00 0.00 O ATOM 174 CG2 THR A 596 14.690 3.939 -6.865 1.00 0.00 C ATOM 0 H THR A 596 15.256 2.278 -5.213 1.00 0.00 H new ATOM 0 HA THR A 596 16.511 4.633 -4.026 1.00 0.00 H new ATOM 0 HB THR A 596 16.670 4.565 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.363 6.417 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.733 4.318 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 596 14.964 2.884 -6.858 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.678 4.054 -6.478 1.00 0.00 H new ATOM 182 N GLN A 597 14.419 5.923 -3.297 1.00 0.00 N ATOM 183 CA GLN A 597 13.278 6.501 -2.599 1.00 0.00 C ATOM 184 C GLN A 597 12.086 6.578 -3.545 1.00 0.00 C ATOM 185 O GLN A 597 10.942 6.330 -3.157 1.00 0.00 O ATOM 186 CB GLN A 597 13.629 7.892 -2.061 1.00 0.00 C ATOM 187 CG GLN A 597 12.526 8.525 -1.229 1.00 0.00 C ATOM 188 CD GLN A 597 12.179 7.706 -0.002 1.00 0.00 C ATOM 189 OE1 GLN A 597 11.311 6.837 -0.047 1.00 0.00 O ATOM 190 NE2 GLN A 597 12.853 7.979 1.101 1.00 0.00 N ATOM 0 H GLN A 597 15.234 6.534 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 597 13.018 5.866 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.532 7.820 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.860 8.548 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.837 9.523 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.635 8.645 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 597 13.566 8.709 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 597 12.661 7.460 1.958 1.00 0.00 H new ATOM 199 N ASP A 598 12.381 6.915 -4.795 1.00 0.00 N ATOM 200 CA ASP A 598 11.368 7.006 -5.839 1.00 0.00 C ATOM 201 C ASP A 598 10.607 5.688 -5.968 1.00 0.00 C ATOM 202 O ASP A 598 9.391 5.682 -6.132 1.00 0.00 O ATOM 203 CB ASP A 598 12.020 7.369 -7.174 1.00 0.00 C ATOM 204 CG ASP A 598 11.014 7.534 -8.292 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.688 6.528 -8.957 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.558 8.671 -8.523 1.00 0.00 O ATOM 0 H ASP A 598 13.326 7.132 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 598 10.660 7.788 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.583 8.295 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.735 6.593 -7.447 1.00 0.00 H new ATOM 211 N LEU A 599 11.336 4.574 -5.883 1.00 0.00 N ATOM 212 CA LEU A 599 10.730 3.250 -5.931 1.00 0.00 C ATOM 213 C LEU A 599 9.745 3.069 -4.786 1.00 0.00 C ATOM 214 O LEU A 599 8.610 2.636 -4.990 1.00 0.00 O ATOM 215 CB LEU A 599 11.814 2.163 -5.854 1.00 0.00 C ATOM 216 CG LEU A 599 11.358 0.770 -6.278 1.00 0.00 C ATOM 217 CD1 LEU A 599 10.899 0.801 -7.723 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.477 -0.245 -6.091 1.00 0.00 C ATOM 0 H LEU A 599 12.351 4.567 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 599 10.195 3.157 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.653 2.462 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.185 2.112 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 599 10.523 0.465 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.574 -0.195 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.069 1.500 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.724 1.121 -8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.129 -1.231 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.335 0.044 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.769 -0.275 -5.041 1.00 0.00 H new ATOM 230 N ARG A 600 10.188 3.417 -3.585 1.00 0.00 N ATOM 231 CA ARG A 600 9.370 3.277 -2.388 1.00 0.00 C ATOM 232 C ARG A 600 8.080 4.080 -2.508 1.00 0.00 C ATOM 233 O ARG A 600 6.992 3.550 -2.294 1.00 0.00 O ATOM 234 CB ARG A 600 10.157 3.740 -1.161 1.00 0.00 C ATOM 235 CG ARG A 600 11.347 2.853 -0.833 1.00 0.00 C ATOM 236 CD ARG A 600 12.251 3.493 0.208 1.00 0.00 C ATOM 237 NE ARG A 600 11.520 3.876 1.413 1.00 0.00 N ATOM 238 CZ ARG A 600 12.046 4.575 2.414 1.00 0.00 C ATOM 239 NH1 ARG A 600 13.317 4.964 2.366 1.00 0.00 N ATOM 240 NH2 ARG A 600 11.290 4.890 3.456 1.00 0.00 N ATOM 0 H ARG A 600 11.117 3.801 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 600 9.109 2.225 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.508 4.758 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.488 3.770 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.993 1.890 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 600 11.918 2.658 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 600 13.046 2.797 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.729 4.374 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 600 10.544 3.589 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 600 13.893 4.726 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 600 13.716 5.500 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 600 10.314 4.596 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 600 11.685 5.426 4.229 1.00 0.00 H new ATOM 254 N SER A 601 8.204 5.348 -2.875 1.00 0.00 N ATOM 255 CA SER A 601 7.043 6.215 -3.005 1.00 0.00 C ATOM 256 C SER A 601 6.132 5.740 -4.134 1.00 0.00 C ATOM 257 O SER A 601 4.906 5.748 -3.999 1.00 0.00 O ATOM 258 CB SER A 601 7.486 7.660 -3.237 1.00 0.00 C ATOM 259 OG SER A 601 8.371 7.754 -4.340 1.00 0.00 O ATOM 0 H SER A 601 9.095 5.798 -3.087 1.00 0.00 H new ATOM 0 HA SER A 601 6.474 6.171 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.612 8.287 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 601 7.976 8.041 -2.341 1.00 0.00 H new ATOM 0 HG SER A 601 8.622 6.854 -4.636 1.00 0.00 H new ATOM 265 N HIS A 602 6.742 5.317 -5.240 1.00 0.00 N ATOM 266 CA HIS A 602 5.999 4.849 -6.409 1.00 0.00 C ATOM 267 C HIS A 602 5.070 3.704 -6.024 1.00 0.00 C ATOM 268 O HIS A 602 3.875 3.726 -6.322 1.00 0.00 O ATOM 269 CB HIS A 602 6.968 4.377 -7.501 1.00 0.00 C ATOM 270 CG HIS A 602 6.373 4.340 -8.877 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.963 4.949 -9.965 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.247 3.750 -9.345 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.225 4.737 -11.037 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.182 4.014 -10.688 1.00 0.00 N ATOM 0 H HIS A 602 7.756 5.289 -5.351 1.00 0.00 H new ATOM 0 HA HIS A 602 5.404 5.678 -6.791 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.836 5.036 -7.510 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.327 3.380 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.535 3.179 -8.768 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.440 5.096 -12.033 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.443 3.700 -11.317 1.00 0.00 H new ATOM 283 N LEU A 603 5.633 2.716 -5.345 1.00 0.00 N ATOM 284 CA LEU A 603 4.882 1.548 -4.909 1.00 0.00 C ATOM 285 C LEU A 603 3.830 1.924 -3.870 1.00 0.00 C ATOM 286 O LEU A 603 2.713 1.406 -3.891 1.00 0.00 O ATOM 287 CB LEU A 603 5.833 0.480 -4.367 1.00 0.00 C ATOM 288 CG LEU A 603 6.946 0.077 -5.343 1.00 0.00 C ATOM 289 CD1 LEU A 603 7.987 -0.789 -4.657 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.365 -0.652 -6.545 1.00 0.00 C ATOM 0 H LEU A 603 6.618 2.701 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 603 4.357 1.137 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.287 0.847 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.255 -0.407 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 603 7.434 0.988 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.764 -1.060 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.432 -0.236 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.514 -1.694 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.170 -0.930 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.847 -1.550 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.662 0.001 -7.062 1.00 0.00 H new ATOM 302 N VAL A 604 4.187 2.839 -2.974 1.00 0.00 N ATOM 303 CA VAL A 604 3.283 3.269 -1.911 1.00 0.00 C ATOM 304 C VAL A 604 2.058 3.975 -2.491 1.00 0.00 C ATOM 305 O VAL A 604 0.927 3.699 -2.093 1.00 0.00 O ATOM 306 CB VAL A 604 3.994 4.197 -0.897 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.989 4.971 -0.057 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.913 3.388 0.007 1.00 0.00 C ATOM 0 H VAL A 604 5.098 3.298 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 604 2.959 2.372 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 604 4.589 4.914 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.520 5.614 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.365 5.583 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.361 4.272 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.406 4.054 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.327 2.648 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.665 2.881 -0.598 1.00 0.00 H new ATOM 318 N HIS A 605 2.285 4.876 -3.443 1.00 0.00 N ATOM 319 CA HIS A 605 1.182 5.596 -4.079 1.00 0.00 C ATOM 320 C HIS A 605 0.292 4.625 -4.838 1.00 0.00 C ATOM 321 O HIS A 605 -0.929 4.761 -4.831 1.00 0.00 O ATOM 322 CB HIS A 605 1.674 6.697 -5.025 1.00 0.00 C ATOM 323 CG HIS A 605 2.269 7.888 -4.335 1.00 0.00 C ATOM 324 ND1 HIS A 605 2.181 9.167 -4.840 1.00 0.00 N ATOM 325 CD2 HIS A 605 2.970 7.992 -3.180 1.00 0.00 C ATOM 326 CE1 HIS A 605 2.801 10.002 -4.029 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.288 9.316 -3.016 1.00 0.00 N ATOM 0 H HIS A 605 3.212 5.124 -3.789 1.00 0.00 H new ATOM 0 HA HIS A 605 0.611 6.077 -3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.419 6.274 -5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.839 7.029 -5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 605 3.230 7.183 -2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 605 2.894 11.069 -4.172 1.00 0.00 H new ATOM 0 HE2 HIS A 605 3.816 9.706 -2.236 1.00 0.00 H new ATOM 336 N LYS A 606 0.910 3.645 -5.491 1.00 0.00 N ATOM 337 CA LYS A 606 0.165 2.623 -6.212 1.00 0.00 C ATOM 338 C LYS A 606 -0.707 1.824 -5.247 1.00 0.00 C ATOM 339 O LYS A 606 -1.846 1.483 -5.563 1.00 0.00 O ATOM 340 CB LYS A 606 1.114 1.688 -6.963 1.00 0.00 C ATOM 341 CG LYS A 606 0.392 0.623 -7.771 1.00 0.00 C ATOM 342 CD LYS A 606 1.364 -0.282 -8.507 1.00 0.00 C ATOM 343 CE LYS A 606 0.626 -1.352 -9.294 1.00 0.00 C ATOM 344 NZ LYS A 606 1.558 -2.236 -10.041 1.00 0.00 N ATOM 0 H LYS A 606 1.924 3.539 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.477 3.118 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.742 2.278 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.778 1.204 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -0.231 0.024 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -0.274 1.101 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 606 1.978 0.312 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.040 -0.752 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 606 0.024 -1.953 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -0.063 -0.878 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 1.014 -2.951 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 2.115 -1.667 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 2.199 -2.709 -9.372 1.00 0.00 H new ATOM 358 N LEU A 607 -0.162 1.527 -4.073 1.00 0.00 N ATOM 359 CA LEU A 607 -0.900 0.811 -3.044 1.00 0.00 C ATOM 360 C LEU A 607 -2.117 1.633 -2.614 1.00 0.00 C ATOM 361 O LEU A 607 -3.221 1.105 -2.483 1.00 0.00 O ATOM 362 CB LEU A 607 0.027 0.520 -1.854 1.00 0.00 C ATOM 363 CG LEU A 607 -0.390 -0.640 -0.942 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.782 -1.079 -0.081 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.559 -0.242 -0.057 1.00 0.00 C ATOM 0 H LEU A 607 0.793 1.773 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.257 -0.140 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 607 1.025 0.312 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.101 1.423 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.702 -1.471 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.473 -1.903 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.601 -1.406 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 607 1.114 -0.243 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -1.836 -1.082 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.272 0.606 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.409 0.036 -0.680 1.00 0.00 H new ATOM 377 N VAL A 608 -1.910 2.933 -2.422 1.00 0.00 N ATOM 378 CA VAL A 608 -3.004 3.853 -2.118 1.00 0.00 C ATOM 379 C VAL A 608 -4.026 3.863 -3.256 1.00 0.00 C ATOM 380 O VAL A 608 -5.232 3.803 -3.025 1.00 0.00 O ATOM 381 CB VAL A 608 -2.482 5.289 -1.895 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.628 6.250 -1.613 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.469 5.319 -0.763 1.00 0.00 C ATOM 0 H VAL A 608 -0.992 3.375 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.479 3.504 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.988 5.614 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.232 7.254 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.314 6.256 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.160 5.929 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.112 6.339 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -1.939 4.968 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.628 4.672 -1.010 1.00 0.00 H new ATOM 393 N GLN A 609 -3.520 3.930 -4.483 1.00 0.00 N ATOM 394 CA GLN A 609 -4.355 3.902 -5.681 1.00 0.00 C ATOM 395 C GLN A 609 -5.194 2.626 -5.727 1.00 0.00 C ATOM 396 O GLN A 609 -6.347 2.642 -6.158 1.00 0.00 O ATOM 397 CB GLN A 609 -3.484 4.005 -6.937 1.00 0.00 C ATOM 398 CG GLN A 609 -4.277 4.010 -8.234 1.00 0.00 C ATOM 399 CD GLN A 609 -3.382 4.035 -9.456 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.985 2.990 -9.970 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.066 5.226 -9.935 1.00 0.00 N ATOM 0 H GLN A 609 -2.521 4.005 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.030 4.757 -5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.889 4.917 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.785 3.169 -6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.914 3.126 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.936 4.878 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.416 6.068 -9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -2.472 5.302 -10.761 1.00 0.00 H new ATOM 410 N ALA A 610 -4.598 1.522 -5.302 1.00 0.00 N ATOM 411 CA ALA A 610 -5.292 0.245 -5.253 1.00 0.00 C ATOM 412 C ALA A 610 -6.485 0.315 -4.305 1.00 0.00 C ATOM 413 O ALA A 610 -7.554 -0.225 -4.594 1.00 0.00 O ATOM 414 CB ALA A 610 -4.339 -0.862 -4.831 1.00 0.00 C ATOM 0 H ALA A 610 -3.629 1.486 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.664 0.019 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.875 -1.811 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.521 -0.931 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -3.937 -0.639 -3.843 1.00 0.00 H new ATOM 420 N ILE A 611 -6.300 0.994 -3.176 1.00 0.00 N ATOM 421 CA ILE A 611 -7.359 1.114 -2.180 1.00 0.00 C ATOM 422 C ILE A 611 -8.377 2.178 -2.617 1.00 0.00 C ATOM 423 O ILE A 611 -9.567 2.065 -2.320 1.00 0.00 O ATOM 424 CB ILE A 611 -6.783 1.482 -0.751 1.00 0.00 C ATOM 425 CG1 ILE A 611 -5.640 0.536 -0.317 1.00 0.00 C ATOM 426 CG2 ILE A 611 -7.870 1.501 0.330 1.00 0.00 C ATOM 427 CD1 ILE A 611 -4.761 1.126 0.765 1.00 0.00 C ATOM 0 H ILE A 611 -5.431 1.467 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 611 -7.850 0.144 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.379 2.489 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.067 -0.401 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.026 0.295 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.424 1.758 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.627 2.241 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.333 0.517 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -3.978 0.414 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.307 2.048 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.364 1.341 1.647 1.00 0.00 H new ATOM 439 N PHE A 612 -7.916 3.188 -3.353 1.00 0.00 N ATOM 440 CA PHE A 612 -8.775 4.287 -3.771 1.00 0.00 C ATOM 441 C PHE A 612 -8.203 4.943 -5.031 1.00 0.00 C ATOM 442 O PHE A 612 -7.257 5.729 -4.951 1.00 0.00 O ATOM 443 CB PHE A 612 -8.884 5.314 -2.642 1.00 0.00 C ATOM 444 CG PHE A 612 -10.093 6.203 -2.732 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.352 5.707 -2.441 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.971 7.532 -3.085 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.466 6.517 -2.502 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.081 8.352 -3.144 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.329 7.843 -2.853 1.00 0.00 C ATOM 0 H PHE A 612 -6.950 3.265 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.770 3.903 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.904 4.787 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.989 5.936 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.463 4.670 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.996 7.935 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.442 6.114 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.971 9.391 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.198 8.482 -2.900 1.00 0.00 H new ATOM 459 N PRO A 613 -8.763 4.625 -6.212 1.00 0.00 N ATOM 460 CA PRO A 613 -8.197 5.074 -7.492 1.00 0.00 C ATOM 461 C PRO A 613 -8.540 6.525 -7.834 1.00 0.00 C ATOM 462 O PRO A 613 -7.738 7.219 -8.454 1.00 0.00 O ATOM 463 CB PRO A 613 -8.833 4.120 -8.512 1.00 0.00 C ATOM 464 CG PRO A 613 -10.130 3.694 -7.895 1.00 0.00 C ATOM 465 CD PRO A 613 -9.974 3.791 -6.392 1.00 0.00 C ATOM 0 HA PRO A 613 -7.107 5.051 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.996 4.617 -9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.188 3.263 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.945 4.332 -8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.378 2.674 -8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.847 4.250 -5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.852 2.807 -5.939 1.00 0.00 H new ATOM 473 N THR A 614 -9.730 6.972 -7.446 1.00 0.00 N ATOM 474 CA THR A 614 -10.197 8.318 -7.780 1.00 0.00 C ATOM 475 C THR A 614 -9.412 9.405 -7.033 1.00 0.00 C ATOM 476 O THR A 614 -9.543 9.545 -5.816 1.00 0.00 O ATOM 477 CB THR A 614 -11.699 8.464 -7.467 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.962 7.998 -6.136 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.536 7.670 -8.459 1.00 0.00 C ATOM 0 H THR A 614 -10.392 6.422 -6.898 1.00 0.00 H new ATOM 0 HA THR A 614 -10.029 8.454 -8.848 1.00 0.00 H new ATOM 0 HB THR A 614 -11.969 9.517 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.313 8.393 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.593 7.787 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.350 8.037 -9.468 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.266 6.616 -8.401 1.00 0.00 H new ATOM 487 N PRO A 615 -8.587 10.192 -7.754 1.00 0.00 N ATOM 488 CA PRO A 615 -7.805 11.283 -7.169 1.00 0.00 C ATOM 489 C PRO A 615 -8.629 12.563 -7.053 1.00 0.00 C ATOM 490 O PRO A 615 -8.424 13.521 -7.804 1.00 0.00 O ATOM 491 CB PRO A 615 -6.649 11.482 -8.169 1.00 0.00 C ATOM 492 CG PRO A 615 -6.870 10.464 -9.261 1.00 0.00 C ATOM 493 CD PRO A 615 -8.330 10.098 -9.194 1.00 0.00 C ATOM 0 HA PRO A 615 -7.468 11.052 -6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.651 12.495 -8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.684 11.333 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.615 10.877 -10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.240 9.587 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.952 10.785 -9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.520 9.097 -9.581 1.00 0.00 H new ATOM 501 N ASP A 616 -9.558 12.571 -6.111 1.00 0.00 N ATOM 502 CA ASP A 616 -10.443 13.718 -5.911 1.00 0.00 C ATOM 503 C ASP A 616 -9.703 14.825 -5.162 1.00 0.00 C ATOM 504 O ASP A 616 -9.096 14.576 -4.122 1.00 0.00 O ATOM 505 CB ASP A 616 -11.699 13.304 -5.125 1.00 0.00 C ATOM 506 CG ASP A 616 -12.655 14.461 -4.930 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.491 14.703 -5.825 1.00 0.00 O ATOM 508 OD2 ASP A 616 -12.570 15.139 -3.884 1.00 0.00 O ATOM 0 H ASP A 616 -9.723 11.796 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.752 14.090 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.208 12.499 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.404 12.910 -4.152 1.00 0.00 H new ATOM 513 N PRO A 617 -9.744 16.065 -5.699 1.00 0.00 N ATOM 514 CA PRO A 617 -8.993 17.212 -5.157 1.00 0.00 C ATOM 515 C PRO A 617 -9.285 17.495 -3.684 1.00 0.00 C ATOM 516 O PRO A 617 -8.431 18.019 -2.969 1.00 0.00 O ATOM 517 CB PRO A 617 -9.458 18.402 -6.021 1.00 0.00 C ATOM 518 CG PRO A 617 -10.698 17.932 -6.699 1.00 0.00 C ATOM 519 CD PRO A 617 -10.516 16.455 -6.894 1.00 0.00 C ATOM 0 HA PRO A 617 -7.921 17.021 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -9.654 19.281 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -8.695 18.683 -6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -11.580 18.142 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -10.839 18.439 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.471 15.933 -6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -9.978 16.231 -7.815 1.00 0.00 H new ATOM 527 N ALA A 618 -10.489 17.162 -3.236 1.00 0.00 N ATOM 528 CA ALA A 618 -10.874 17.411 -1.856 1.00 0.00 C ATOM 529 C ALA A 618 -10.585 16.193 -0.993 1.00 0.00 C ATOM 530 O ALA A 618 -9.992 16.311 0.080 1.00 0.00 O ATOM 531 CB ALA A 618 -12.343 17.788 -1.775 1.00 0.00 C ATOM 0 H ALA A 618 -11.211 16.721 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 618 -10.283 18.246 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -12.615 17.971 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -12.520 18.690 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -12.950 16.974 -2.171 1.00 0.00 H new ATOM 537 N ALA A 619 -11.011 15.027 -1.473 1.00 0.00 N ATOM 538 CA ALA A 619 -10.770 13.763 -0.778 1.00 0.00 C ATOM 539 C ALA A 619 -9.279 13.518 -0.554 1.00 0.00 C ATOM 540 O ALA A 619 -8.892 12.851 0.400 1.00 0.00 O ATOM 541 CB ALA A 619 -11.384 12.607 -1.556 1.00 0.00 C ATOM 0 H ALA A 619 -11.528 14.931 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.246 13.827 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.197 11.672 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.459 12.762 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.936 12.558 -2.549 1.00 0.00 H new ATOM 547 N LEU A 620 -8.449 14.059 -1.437 1.00 0.00 N ATOM 548 CA LEU A 620 -7.000 13.931 -1.309 1.00 0.00 C ATOM 549 C LEU A 620 -6.520 14.594 -0.016 1.00 0.00 C ATOM 550 O LEU A 620 -5.552 14.157 0.602 1.00 0.00 O ATOM 551 CB LEU A 620 -6.303 14.580 -2.511 1.00 0.00 C ATOM 552 CG LEU A 620 -5.238 13.724 -3.214 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.167 13.266 -2.236 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.880 12.528 -3.901 1.00 0.00 C ATOM 0 H LEU A 620 -8.754 14.592 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.748 12.871 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.063 14.853 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -5.835 15.506 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 620 -4.758 14.343 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.428 12.662 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -3.679 14.136 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.626 12.671 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.110 11.934 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.393 11.915 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.598 12.877 -4.643 1.00 0.00 H new ATOM 566 N LYS A 621 -7.219 15.646 0.387 1.00 0.00 N ATOM 567 CA LYS A 621 -6.871 16.402 1.583 1.00 0.00 C ATOM 568 C LYS A 621 -7.717 15.949 2.767 1.00 0.00 C ATOM 569 O LYS A 621 -7.822 16.646 3.779 1.00 0.00 O ATOM 570 CB LYS A 621 -7.073 17.902 1.340 1.00 0.00 C ATOM 571 CG LYS A 621 -6.225 18.461 0.206 1.00 0.00 C ATOM 572 CD LYS A 621 -4.734 18.386 0.512 1.00 0.00 C ATOM 573 CE LYS A 621 -4.348 19.263 1.696 1.00 0.00 C ATOM 574 NZ LYS A 621 -4.668 20.696 1.458 1.00 0.00 N ATOM 0 H LYS A 621 -8.041 15.999 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 621 -5.821 16.218 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.124 18.086 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -6.840 18.444 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -6.435 17.907 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -6.505 19.498 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -4.459 17.352 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -4.168 18.694 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -4.871 18.918 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -3.281 19.158 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -4.198 21.281 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -4.333 20.974 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -5.697 20.836 1.516 1.00 0.00 H new ATOM 588 N ASP A 622 -8.307 14.773 2.638 1.00 0.00 N ATOM 589 CA ASP A 622 -9.216 14.245 3.648 1.00 0.00 C ATOM 590 C ASP A 622 -8.457 13.357 4.624 1.00 0.00 C ATOM 591 O ASP A 622 -7.711 12.464 4.222 1.00 0.00 O ATOM 592 CB ASP A 622 -10.342 13.456 2.974 1.00 0.00 C ATOM 593 CG ASP A 622 -11.101 12.561 3.931 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.691 13.081 4.901 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.117 11.333 3.706 1.00 0.00 O ATOM 0 H ASP A 622 -8.172 14.158 1.836 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.652 15.076 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.039 14.154 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -9.921 12.847 2.174 1.00 0.00 H new ATOM 600 N ARG A 623 -8.657 13.630 5.910 1.00 0.00 N ATOM 601 CA ARG A 623 -7.970 12.922 6.986 1.00 0.00 C ATOM 602 C ARG A 623 -8.235 11.421 6.924 1.00 0.00 C ATOM 603 O ARG A 623 -7.339 10.616 7.179 1.00 0.00 O ATOM 604 CB ARG A 623 -8.405 13.469 8.346 1.00 0.00 C ATOM 605 CG ARG A 623 -7.862 14.855 8.664 1.00 0.00 C ATOM 606 CD ARG A 623 -8.405 15.358 9.990 1.00 0.00 C ATOM 607 NE ARG A 623 -8.094 14.443 11.086 1.00 0.00 N ATOM 608 CZ ARG A 623 -8.728 14.439 12.256 1.00 0.00 C ATOM 609 NH1 ARG A 623 -9.695 15.318 12.498 1.00 0.00 N ATOM 610 NH2 ARG A 623 -8.389 13.555 13.186 1.00 0.00 N ATOM 0 H ARG A 623 -9.302 14.350 6.236 1.00 0.00 H new ATOM 0 HA ARG A 623 -6.900 13.085 6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.494 13.501 8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.081 12.777 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -6.773 14.824 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.135 15.548 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -7.984 16.340 10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -9.485 15.483 9.916 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.345 13.765 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -9.954 16.000 11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -10.178 15.311 13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -7.645 12.882 13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -8.873 13.549 14.084 1.00 0.00 H new ATOM 624 N ARG A 624 -9.471 11.058 6.603 1.00 0.00 N ATOM 625 CA ARG A 624 -9.856 9.669 6.445 1.00 0.00 C ATOM 626 C ARG A 624 -8.995 8.989 5.378 1.00 0.00 C ATOM 627 O ARG A 624 -8.475 7.893 5.598 1.00 0.00 O ATOM 628 CB ARG A 624 -11.345 9.606 6.099 1.00 0.00 C ATOM 629 CG ARG A 624 -11.820 8.292 5.509 1.00 0.00 C ATOM 630 CD ARG A 624 -13.305 8.354 5.200 1.00 0.00 C ATOM 631 NE ARG A 624 -13.650 9.570 4.457 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.845 10.154 4.500 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.796 9.671 5.290 1.00 0.00 N ATOM 634 NH2 ARG A 624 -15.085 11.231 3.765 1.00 0.00 N ATOM 0 H ARG A 624 -10.231 11.720 6.446 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.690 9.128 7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.920 9.808 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.571 10.405 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.262 8.072 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.622 7.480 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.594 7.478 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.873 8.321 6.130 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.930 9.994 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.612 8.850 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.711 10.121 5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -14.353 11.613 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.001 11.678 3.799 1.00 0.00 H new ATOM 648 N MET A 625 -8.825 9.643 4.232 1.00 0.00 N ATOM 649 CA MET A 625 -7.944 9.113 3.198 1.00 0.00 C ATOM 650 C MET A 625 -6.495 9.075 3.687 1.00 0.00 C ATOM 651 O MET A 625 -5.782 8.107 3.431 1.00 0.00 O ATOM 652 CB MET A 625 -8.048 9.889 1.874 1.00 0.00 C ATOM 653 CG MET A 625 -6.973 9.479 0.866 1.00 0.00 C ATOM 654 SD MET A 625 -6.978 10.466 -0.644 1.00 0.00 S ATOM 655 CE MET A 625 -8.585 10.056 -1.315 1.00 0.00 C ATOM 0 H MET A 625 -9.278 10.527 3.999 1.00 0.00 H new ATOM 0 HA MET A 625 -8.277 8.095 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 625 -9.033 9.724 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.964 10.957 2.075 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.994 9.560 1.339 1.00 0.00 H new ATOM 0 HG3 MET A 625 -7.114 8.430 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.556 10.132 -2.402 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.849 9.038 -1.030 1.00 0.00 H new ATOM 0 HE3 MET A 625 -9.330 10.748 -0.923 1.00 0.00 H new ATOM 665 N GLU A 626 -6.070 10.109 4.416 1.00 0.00 N ATOM 666 CA GLU A 626 -4.697 10.186 4.902 1.00 0.00 C ATOM 667 C GLU A 626 -4.360 8.974 5.765 1.00 0.00 C ATOM 668 O GLU A 626 -3.252 8.445 5.700 1.00 0.00 O ATOM 669 CB GLU A 626 -4.455 11.480 5.683 1.00 0.00 C ATOM 670 CG GLU A 626 -4.628 12.738 4.846 1.00 0.00 C ATOM 671 CD GLU A 626 -4.106 13.979 5.542 1.00 0.00 C ATOM 672 OE1 GLU A 626 -4.770 14.470 6.477 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.017 14.464 5.164 1.00 0.00 O ATOM 0 H GLU A 626 -6.657 10.900 4.680 1.00 0.00 H new ATOM 0 HA GLU A 626 -4.039 10.188 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.143 11.518 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.446 11.463 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.107 12.612 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.685 12.873 4.615 1.00 0.00 H new ATOM 680 N ASN A 627 -5.325 8.538 6.570 1.00 0.00 N ATOM 681 CA ASN A 627 -5.145 7.366 7.426 1.00 0.00 C ATOM 682 C ASN A 627 -4.904 6.108 6.596 1.00 0.00 C ATOM 683 O ASN A 627 -4.070 5.275 6.951 1.00 0.00 O ATOM 684 CB ASN A 627 -6.356 7.160 8.342 1.00 0.00 C ATOM 685 CG ASN A 627 -6.364 8.103 9.537 1.00 0.00 C ATOM 686 OD1 ASN A 627 -5.762 9.274 9.386 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -6.907 7.781 10.594 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.242 8.979 6.648 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.266 7.549 8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.270 7.305 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.364 6.130 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.362 6.872 10.677 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -6.902 8.423 11.386 1.00 0.00 H new ATOM 694 N LEU A 628 -5.634 5.964 5.494 1.00 0.00 N ATOM 695 CA LEU A 628 -5.443 4.810 4.610 1.00 0.00 C ATOM 696 C LEU A 628 -4.077 4.916 3.928 1.00 0.00 C ATOM 697 O LEU A 628 -3.383 3.917 3.747 1.00 0.00 O ATOM 698 CB LEU A 628 -6.620 4.645 3.599 1.00 0.00 C ATOM 699 CG LEU A 628 -6.550 5.401 2.259 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.638 4.693 1.266 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.944 5.535 1.667 1.00 0.00 C ATOM 0 H LEU A 628 -6.354 6.620 5.191 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.453 3.898 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.718 3.583 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.536 4.950 4.104 1.00 0.00 H new ATOM 0 HG LEU A 628 -6.136 6.390 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.612 5.254 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.631 4.629 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -6.017 3.689 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.887 6.071 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.365 4.544 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.581 6.087 2.358 1.00 0.00 H new ATOM 713 N VAL A 629 -3.696 6.141 3.563 1.00 0.00 N ATOM 714 CA VAL A 629 -2.400 6.392 2.936 1.00 0.00 C ATOM 715 C VAL A 629 -1.270 6.056 3.907 1.00 0.00 C ATOM 716 O VAL A 629 -0.250 5.483 3.523 1.00 0.00 O ATOM 717 CB VAL A 629 -2.260 7.864 2.479 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.896 8.111 1.852 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.364 8.231 1.500 1.00 0.00 C ATOM 0 H VAL A 629 -4.268 6.975 3.692 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.335 5.752 2.056 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.353 8.498 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.823 9.153 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 629 -0.116 7.895 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.771 7.462 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -3.246 9.270 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -3.304 7.584 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.334 8.103 1.981 1.00 0.00 H new ATOM 729 N ALA A 630 -1.472 6.416 5.170 1.00 0.00 N ATOM 730 CA ALA A 630 -0.511 6.121 6.225 1.00 0.00 C ATOM 731 C ALA A 630 -0.275 4.616 6.328 1.00 0.00 C ATOM 732 O ALA A 630 0.851 4.171 6.552 1.00 0.00 O ATOM 733 CB ALA A 630 -0.969 6.704 7.556 1.00 0.00 C ATOM 0 H ALA A 630 -2.301 6.917 5.489 1.00 0.00 H new ATOM 0 HA ALA A 630 0.438 6.593 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.235 6.470 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.068 7.786 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.932 6.274 7.830 1.00 0.00 H new ATOM 739 N TYR A 631 -1.343 3.840 6.145 1.00 0.00 N ATOM 740 CA TYR A 631 -1.247 2.383 6.176 1.00 0.00 C ATOM 741 C TYR A 631 -0.276 1.892 5.100 1.00 0.00 C ATOM 742 O TYR A 631 0.474 0.940 5.315 1.00 0.00 O ATOM 743 CB TYR A 631 -2.614 1.708 5.995 1.00 0.00 C ATOM 744 CG TYR A 631 -2.549 0.210 6.176 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.233 -0.335 7.414 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.787 -0.659 5.117 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.155 -1.701 7.595 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.712 -2.028 5.291 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.394 -2.543 6.532 1.00 0.00 C ATOM 750 OH TYR A 631 -2.315 -3.907 6.713 1.00 0.00 O ATOM 0 H TYR A 631 -2.283 4.197 5.974 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.871 2.106 7.161 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.320 2.127 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -2.998 1.934 5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.045 0.322 8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.034 -0.259 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.908 -2.107 8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -2.901 -2.692 4.460 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.558 -4.129 7.636 1.00 0.00 H new ATOM 760 N ALA A 632 -0.294 2.551 3.943 1.00 0.00 N ATOM 761 CA ALA A 632 0.595 2.193 2.844 1.00 0.00 C ATOM 762 C ALA A 632 2.051 2.396 3.256 1.00 0.00 C ATOM 763 O ALA A 632 2.919 1.589 2.921 1.00 0.00 O ATOM 764 CB ALA A 632 0.268 3.003 1.596 1.00 0.00 C ATOM 0 H ALA A 632 -0.915 3.335 3.744 1.00 0.00 H new ATOM 0 HA ALA A 632 0.445 1.140 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.944 2.718 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.760 2.806 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.386 4.065 1.810 1.00 0.00 H new ATOM 770 N LYS A 633 2.314 3.477 3.993 1.00 0.00 N ATOM 771 CA LYS A 633 3.646 3.734 4.534 1.00 0.00 C ATOM 772 C LYS A 633 4.025 2.664 5.550 1.00 0.00 C ATOM 773 O LYS A 633 5.169 2.213 5.597 1.00 0.00 O ATOM 774 CB LYS A 633 3.699 5.116 5.201 1.00 0.00 C ATOM 775 CG LYS A 633 4.402 6.186 4.374 1.00 0.00 C ATOM 776 CD LYS A 633 3.676 6.461 3.066 1.00 0.00 C ATOM 777 CE LYS A 633 2.382 7.229 3.283 1.00 0.00 C ATOM 778 NZ LYS A 633 2.613 8.547 3.928 1.00 0.00 N ATOM 0 H LYS A 633 1.621 4.187 4.228 1.00 0.00 H new ATOM 0 HA LYS A 633 4.357 3.709 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.681 5.445 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.207 5.024 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.468 7.107 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.423 5.869 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.328 7.029 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.458 5.517 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 633 1.885 7.378 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 633 1.709 6.636 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 1.795 9.166 3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.738 8.415 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.468 8.984 3.529 1.00 0.00 H new ATOM 792 N LYS A 634 3.060 2.279 6.376 1.00 0.00 N ATOM 793 CA LYS A 634 3.260 1.203 7.342 1.00 0.00 C ATOM 794 C LYS A 634 3.711 -0.064 6.624 1.00 0.00 C ATOM 795 O LYS A 634 4.611 -0.770 7.085 1.00 0.00 O ATOM 796 CB LYS A 634 1.967 0.925 8.119 1.00 0.00 C ATOM 797 CG LYS A 634 1.425 2.123 8.886 1.00 0.00 C ATOM 798 CD LYS A 634 2.413 2.628 9.927 1.00 0.00 C ATOM 799 CE LYS A 634 2.723 1.568 10.972 1.00 0.00 C ATOM 800 NZ LYS A 634 3.701 2.054 11.979 1.00 0.00 N ATOM 0 H LYS A 634 2.129 2.696 6.397 1.00 0.00 H new ATOM 0 HA LYS A 634 4.031 1.513 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.204 0.581 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 634 2.147 0.111 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.193 2.926 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 634 0.491 1.847 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 634 3.336 2.933 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 634 2.005 3.513 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 634 1.802 1.272 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 634 3.118 0.679 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 3.886 1.303 12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 4.589 2.313 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.313 2.887 12.465 1.00 0.00 H new ATOM 814 N VAL A 635 3.068 -0.341 5.496 1.00 0.00 N ATOM 815 CA VAL A 635 3.432 -1.472 4.652 1.00 0.00 C ATOM 816 C VAL A 635 4.905 -1.422 4.245 1.00 0.00 C ATOM 817 O VAL A 635 5.619 -2.410 4.407 1.00 0.00 O ATOM 818 CB VAL A 635 2.539 -1.557 3.389 1.00 0.00 C ATOM 819 CG1 VAL A 635 3.171 -2.444 2.325 1.00 0.00 C ATOM 820 CG2 VAL A 635 1.161 -2.095 3.745 1.00 0.00 C ATOM 0 H VAL A 635 2.285 0.208 5.142 1.00 0.00 H new ATOM 0 HA VAL A 635 3.269 -2.369 5.250 1.00 0.00 H new ATOM 0 HB VAL A 635 2.441 -0.548 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.521 -2.484 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 635 4.140 -2.034 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.306 -3.450 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.548 -2.148 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.260 -3.091 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.687 -1.432 4.469 1.00 0.00 H new ATOM 830 N GLU A 636 5.362 -0.275 3.742 1.00 0.00 N ATOM 831 CA GLU A 636 6.750 -0.145 3.294 1.00 0.00 C ATOM 832 C GLU A 636 7.711 -0.490 4.437 1.00 0.00 C ATOM 833 O GLU A 636 8.728 -1.147 4.226 1.00 0.00 O ATOM 834 CB GLU A 636 7.043 1.264 2.734 1.00 0.00 C ATOM 835 CG GLU A 636 7.611 2.249 3.748 1.00 0.00 C ATOM 836 CD GLU A 636 7.939 3.599 3.147 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.953 3.707 2.429 1.00 0.00 O ATOM 838 OE2 GLU A 636 7.192 4.568 3.403 1.00 0.00 O ATOM 0 H GLU A 636 4.799 0.569 3.635 1.00 0.00 H new ATOM 0 HA GLU A 636 6.905 -0.853 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.745 1.172 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 636 6.120 1.676 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.893 2.383 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.513 1.826 4.190 1.00 0.00 H new ATOM 845 N GLY A 637 7.370 -0.050 5.648 1.00 0.00 N ATOM 846 CA GLY A 637 8.190 -0.345 6.813 1.00 0.00 C ATOM 847 C GLY A 637 8.239 -1.827 7.137 1.00 0.00 C ATOM 848 O GLY A 637 9.318 -2.383 7.361 1.00 0.00 O ATOM 0 H GLY A 637 6.538 0.507 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.203 0.018 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.799 0.198 7.674 1.00 0.00 H new ATOM 852 N ASP A 638 7.072 -2.463 7.175 1.00 0.00 N ATOM 853 CA ASP A 638 6.979 -3.891 7.483 1.00 0.00 C ATOM 854 C ASP A 638 7.681 -4.726 6.417 1.00 0.00 C ATOM 855 O ASP A 638 8.426 -5.659 6.731 1.00 0.00 O ATOM 856 CB ASP A 638 5.511 -4.313 7.597 1.00 0.00 C ATOM 857 CG ASP A 638 5.346 -5.773 7.983 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.338 -6.074 9.196 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.211 -6.624 7.082 1.00 0.00 O ATOM 0 H ASP A 638 6.174 -2.013 6.996 1.00 0.00 H new ATOM 0 HA ASP A 638 7.476 -4.065 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.015 -3.688 8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.012 -4.135 6.645 1.00 0.00 H new ATOM 864 N MET A 639 7.453 -4.370 5.157 1.00 0.00 N ATOM 865 CA MET A 639 8.066 -5.073 4.028 1.00 0.00 C ATOM 866 C MET A 639 9.578 -4.911 4.053 1.00 0.00 C ATOM 867 O MET A 639 10.304 -5.832 3.703 1.00 0.00 O ATOM 868 CB MET A 639 7.521 -4.585 2.669 1.00 0.00 C ATOM 869 CG MET A 639 6.006 -4.701 2.519 1.00 0.00 C ATOM 870 SD MET A 639 5.422 -6.399 2.650 1.00 0.00 S ATOM 871 CE MET A 639 3.695 -6.184 2.248 1.00 0.00 C ATOM 0 H MET A 639 6.846 -3.596 4.888 1.00 0.00 H new ATOM 0 HA MET A 639 7.806 -6.126 4.137 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.809 -3.543 2.529 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.998 -5.158 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.522 -4.095 3.285 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.708 -4.292 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.303 -7.107 1.821 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.139 -5.938 3.152 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.588 -5.376 1.525 1.00 0.00 H new ATOM 881 N TYR A 640 10.029 -3.730 4.471 1.00 0.00 N ATOM 882 CA TYR A 640 11.450 -3.364 4.434 1.00 0.00 C ATOM 883 C TYR A 640 12.355 -4.454 5.023 1.00 0.00 C ATOM 884 O TYR A 640 13.449 -4.681 4.508 1.00 0.00 O ATOM 885 CB TYR A 640 11.684 -2.025 5.159 1.00 0.00 C ATOM 886 CG TYR A 640 13.119 -1.526 5.104 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.853 -1.576 3.920 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.747 -1.013 6.239 1.00 0.00 C ATOM 889 CE1 TYR A 640 15.159 -1.133 3.873 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.054 -0.571 6.192 1.00 0.00 C ATOM 891 CZ TYR A 640 15.754 -0.635 5.010 1.00 0.00 C ATOM 892 OH TYR A 640 17.054 -0.191 4.961 1.00 0.00 O ATOM 0 H TYR A 640 9.424 -2.999 4.845 1.00 0.00 H new ATOM 0 HA TYR A 640 11.720 -3.256 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 640 11.032 -1.269 4.721 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.389 -2.134 6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 640 13.392 -1.968 3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.202 -0.961 7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 640 15.713 -1.177 2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.525 -0.176 7.080 1.00 0.00 H new ATOM 0 HH TYR A 640 17.324 0.130 5.847 1.00 0.00 H new ATOM 902 N GLU A 641 11.915 -5.143 6.074 1.00 0.00 N ATOM 903 CA GLU A 641 12.761 -6.179 6.675 1.00 0.00 C ATOM 904 C GLU A 641 12.969 -7.329 5.687 1.00 0.00 C ATOM 905 O GLU A 641 14.094 -7.774 5.448 1.00 0.00 O ATOM 906 CB GLU A 641 12.157 -6.706 7.981 1.00 0.00 C ATOM 907 CG GLU A 641 12.085 -5.648 9.087 1.00 0.00 C ATOM 908 CD GLU A 641 13.443 -5.059 9.403 1.00 0.00 C ATOM 909 OE1 GLU A 641 14.146 -5.603 10.281 1.00 0.00 O ATOM 910 OE2 GLU A 641 13.822 -4.053 8.774 1.00 0.00 O ATOM 0 H GLU A 641 11.006 -5.012 6.518 1.00 0.00 H new ATOM 0 HA GLU A 641 13.726 -5.730 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.154 -7.083 7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.751 -7.550 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 641 11.407 -4.851 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 641 11.666 -6.095 9.988 1.00 0.00 H new ATOM 917 N SER A 642 11.866 -7.809 5.130 1.00 0.00 N ATOM 918 CA SER A 642 11.888 -8.848 4.108 1.00 0.00 C ATOM 919 C SER A 642 12.535 -8.345 2.810 1.00 0.00 C ATOM 920 O SER A 642 13.254 -9.083 2.137 1.00 0.00 O ATOM 921 CB SER A 642 10.464 -9.331 3.845 1.00 0.00 C ATOM 922 OG SER A 642 9.818 -9.683 5.060 1.00 0.00 O ATOM 0 H SER A 642 10.929 -7.489 5.374 1.00 0.00 H new ATOM 0 HA SER A 642 12.492 -9.679 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.897 -8.549 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.485 -10.192 3.176 1.00 0.00 H new ATOM 0 HG SER A 642 8.906 -9.988 4.869 1.00 0.00 H new ATOM 928 N ALA A 643 12.235 -7.092 2.464 1.00 0.00 N ATOM 929 CA ALA A 643 12.731 -6.408 1.255 1.00 0.00 C ATOM 930 C ALA A 643 14.258 -6.330 1.125 1.00 0.00 C ATOM 931 O ALA A 643 14.770 -5.497 0.374 1.00 0.00 O ATOM 932 CB ALA A 643 12.158 -5.007 1.190 1.00 0.00 C ATOM 0 H ALA A 643 11.623 -6.503 3.029 1.00 0.00 H new ATOM 0 HA ALA A 643 12.393 -7.024 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.526 -4.504 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.070 -5.060 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.465 -4.447 2.073 1.00 0.00 H new ATOM 938 N ASN A 644 14.985 -7.179 1.832 1.00 0.00 N ATOM 939 CA ASN A 644 16.441 -7.175 1.752 1.00 0.00 C ATOM 940 C ASN A 644 16.870 -7.716 0.387 1.00 0.00 C ATOM 941 O ASN A 644 18.046 -7.675 0.030 1.00 0.00 O ATOM 942 CB ASN A 644 17.068 -8.022 2.884 1.00 0.00 C ATOM 943 CG ASN A 644 18.566 -7.770 3.045 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.995 -6.522 2.858 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 19.328 -8.685 3.369 1.00 0.00 N flip ATOM 0 H ASN A 644 14.596 -7.877 2.465 1.00 0.00 H new ATOM 0 HA ASN A 644 16.795 -6.151 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.563 -7.798 3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.901 -9.079 2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.964 -9.628 3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 644 20.322 -8.498 3.502 1.00 0.00 H new ATOM 952 N SER A 645 15.894 -8.188 -0.387 1.00 0.00 N ATOM 953 CA SER A 645 16.142 -8.709 -1.717 1.00 0.00 C ATOM 954 C SER A 645 15.162 -8.078 -2.708 1.00 0.00 C ATOM 955 O SER A 645 13.999 -7.843 -2.364 1.00 0.00 O ATOM 956 CB SER A 645 16.001 -10.233 -1.713 1.00 0.00 C ATOM 957 OG SER A 645 16.803 -10.812 -0.695 1.00 0.00 O ATOM 0 H SER A 645 14.914 -8.217 -0.105 1.00 0.00 H new ATOM 0 HA SER A 645 17.157 -8.457 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.957 -10.505 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.294 -10.632 -2.684 1.00 0.00 H new ATOM 0 HG SER A 645 16.697 -11.786 -0.709 1.00 0.00 H new ATOM 963 N ARG A 646 15.635 -7.775 -3.913 1.00 0.00 N ATOM 964 CA ARG A 646 14.809 -7.112 -4.925 1.00 0.00 C ATOM 965 C ARG A 646 13.543 -7.912 -5.228 1.00 0.00 C ATOM 966 O ARG A 646 12.435 -7.374 -5.183 1.00 0.00 O ATOM 967 CB ARG A 646 15.611 -6.898 -6.213 1.00 0.00 C ATOM 968 CG ARG A 646 16.727 -5.870 -6.088 1.00 0.00 C ATOM 969 CD ARG A 646 16.186 -4.448 -6.036 1.00 0.00 C ATOM 970 NE ARG A 646 15.540 -4.061 -7.292 1.00 0.00 N ATOM 971 CZ ARG A 646 15.356 -2.799 -7.683 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.771 -1.791 -6.926 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.760 -2.548 -8.840 1.00 0.00 N ATOM 0 H ARG A 646 16.588 -7.977 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 646 14.510 -6.144 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 646 16.042 -7.850 -6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.930 -6.584 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.306 -6.071 -5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.408 -5.969 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.470 -4.362 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 646 17.001 -3.758 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 646 15.209 -4.804 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.235 -1.978 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.626 -0.829 -7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 646 14.444 -3.319 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.618 -1.584 -9.142 1.00 0.00 H new ATOM 987 N ASP A 647 13.716 -9.204 -5.494 1.00 0.00 N ATOM 988 CA ASP A 647 12.601 -10.077 -5.862 1.00 0.00 C ATOM 989 C ASP A 647 11.547 -10.116 -4.762 1.00 0.00 C ATOM 990 O ASP A 647 10.346 -10.063 -5.033 1.00 0.00 O ATOM 991 CB ASP A 647 13.107 -11.498 -6.140 1.00 0.00 C ATOM 992 CG ASP A 647 11.987 -12.454 -6.499 1.00 0.00 C ATOM 993 OD1 ASP A 647 11.343 -13.000 -5.579 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.743 -12.666 -7.706 1.00 0.00 O ATOM 0 H ASP A 647 14.621 -9.673 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 647 12.145 -9.672 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.831 -11.469 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.631 -11.872 -5.261 1.00 0.00 H new ATOM 999 N GLU A 648 12.010 -10.198 -3.522 1.00 0.00 N ATOM 1000 CA GLU A 648 11.117 -10.296 -2.373 1.00 0.00 C ATOM 1001 C GLU A 648 10.239 -9.050 -2.266 1.00 0.00 C ATOM 1002 O GLU A 648 9.024 -9.145 -2.087 1.00 0.00 O ATOM 1003 CB GLU A 648 11.922 -10.479 -1.082 1.00 0.00 C ATOM 1004 CG GLU A 648 11.097 -11.017 0.077 1.00 0.00 C ATOM 1005 CD GLU A 648 10.644 -12.447 -0.152 1.00 0.00 C ATOM 1006 OE1 GLU A 648 9.655 -12.657 -0.882 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.287 -13.371 0.394 1.00 0.00 O ATOM 0 H GLU A 648 13.002 -10.199 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 648 10.475 -11.166 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.751 -11.160 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.356 -9.521 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.686 -10.967 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.224 -10.381 0.224 1.00 0.00 H new ATOM 1014 N TYR A 649 10.868 -7.888 -2.406 1.00 0.00 N ATOM 1015 CA TYR A 649 10.188 -6.603 -2.233 1.00 0.00 C ATOM 1016 C TYR A 649 8.971 -6.476 -3.150 1.00 0.00 C ATOM 1017 O TYR A 649 7.878 -6.133 -2.695 1.00 0.00 O ATOM 1018 CB TYR A 649 11.169 -5.450 -2.494 1.00 0.00 C ATOM 1019 CG TYR A 649 10.682 -4.086 -2.040 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.798 -3.949 -0.972 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.120 -2.932 -2.675 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.366 -2.703 -0.558 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.694 -1.683 -2.264 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.818 -1.574 -1.207 1.00 0.00 C ATOM 1025 OH TYR A 649 9.391 -0.332 -0.796 1.00 0.00 O ATOM 0 H TYR A 649 11.857 -7.807 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 649 9.832 -6.552 -1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 649 12.110 -5.671 -1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.382 -5.407 -3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.444 -4.831 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.806 -3.012 -3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.678 -2.614 0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.047 -0.796 -2.770 1.00 0.00 H new ATOM 0 HH TYR A 649 9.200 -0.353 0.165 1.00 0.00 H new ATOM 1035 N TYR A 650 9.156 -6.769 -4.434 1.00 0.00 N ATOM 1036 CA TYR A 650 8.102 -6.653 -5.415 1.00 0.00 C ATOM 1037 C TYR A 650 6.997 -7.662 -5.148 1.00 0.00 C ATOM 1038 O TYR A 650 5.810 -7.362 -5.285 1.00 0.00 O ATOM 1039 CB TYR A 650 8.690 -6.866 -6.802 1.00 0.00 C ATOM 1040 CG TYR A 650 9.515 -5.704 -7.300 1.00 0.00 C ATOM 1041 CD1 TYR A 650 8.903 -4.556 -7.784 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.902 -5.757 -7.295 1.00 0.00 C ATOM 1043 CE1 TYR A 650 9.652 -3.492 -8.246 1.00 0.00 C ATOM 1044 CE2 TYR A 650 11.657 -4.697 -7.755 1.00 0.00 C ATOM 1045 CZ TYR A 650 11.027 -3.568 -8.230 1.00 0.00 C ATOM 1046 OH TYR A 650 11.775 -2.513 -8.697 1.00 0.00 O ATOM 0 H TYR A 650 10.045 -7.093 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 650 7.664 -5.657 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.311 -7.761 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.879 -7.051 -7.506 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.825 -4.494 -7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 650 11.399 -6.642 -6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 650 9.162 -2.604 -8.618 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.735 -4.753 -7.743 1.00 0.00 H new ATOM 0 HH TYR A 650 11.202 -1.909 -9.214 1.00 0.00 H new ATOM 1056 N HIS A 651 7.412 -8.852 -4.743 1.00 0.00 N ATOM 1057 CA HIS A 651 6.504 -9.974 -4.567 1.00 0.00 C ATOM 1058 C HIS A 651 5.517 -9.706 -3.437 1.00 0.00 C ATOM 1059 O HIS A 651 4.320 -9.982 -3.560 1.00 0.00 O ATOM 1060 CB HIS A 651 7.296 -11.252 -4.272 1.00 0.00 C ATOM 1061 CG HIS A 651 7.399 -12.181 -5.439 1.00 0.00 C ATOM 1062 ND1 HIS A 651 8.598 -12.649 -5.933 1.00 0.00 N ATOM 1063 CD2 HIS A 651 6.436 -12.746 -6.201 1.00 0.00 C ATOM 1064 CE1 HIS A 651 8.364 -13.458 -6.946 1.00 0.00 C ATOM 1065 NE2 HIS A 651 7.061 -13.536 -7.130 1.00 0.00 N ATOM 0 H HIS A 651 8.386 -9.067 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 651 5.942 -10.103 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 651 8.300 -10.979 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 651 6.824 -11.777 -3.442 1.00 0.00 H new ATOM 0 HD1 HIS A 651 9.521 -12.407 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.371 -12.601 -6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 651 9.114 -13.972 -7.529 1.00 0.00 H new ATOM 1074 N LEU A 652 6.032 -9.171 -2.341 1.00 0.00 N ATOM 1075 CA LEU A 652 5.222 -8.903 -1.159 1.00 0.00 C ATOM 1076 C LEU A 652 4.138 -7.874 -1.459 1.00 0.00 C ATOM 1077 O LEU A 652 2.962 -8.092 -1.166 1.00 0.00 O ATOM 1078 CB LEU A 652 6.108 -8.397 -0.021 1.00 0.00 C ATOM 1079 CG LEU A 652 7.253 -9.325 0.385 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.149 -8.639 1.400 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.719 -10.632 0.950 1.00 0.00 C ATOM 0 H LEU A 652 7.014 -8.912 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 652 4.741 -9.835 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.529 -7.435 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.481 -8.219 0.853 1.00 0.00 H new ATOM 0 HG LEU A 652 7.839 -9.554 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.961 -9.310 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.564 -7.730 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.567 -8.383 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.553 -11.275 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 652 6.108 -10.426 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 652 6.113 -11.134 0.196 1.00 0.00 H new ATOM 1093 N LEU A 653 4.544 -6.763 -2.055 1.00 0.00 N ATOM 1094 CA LEU A 653 3.625 -5.677 -2.376 1.00 0.00 C ATOM 1095 C LEU A 653 2.550 -6.123 -3.366 1.00 0.00 C ATOM 1096 O LEU A 653 1.378 -5.768 -3.219 1.00 0.00 O ATOM 1097 CB LEU A 653 4.402 -4.487 -2.933 1.00 0.00 C ATOM 1098 CG LEU A 653 5.209 -3.710 -1.893 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.403 -3.041 -2.541 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.336 -2.665 -1.215 1.00 0.00 C ATOM 0 H LEU A 653 5.511 -6.588 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 653 3.120 -5.379 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 653 5.081 -4.844 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.701 -3.805 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 653 5.565 -4.414 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.966 -2.492 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 653 7.044 -3.798 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 653 6.059 -2.350 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.926 -2.121 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.956 -1.968 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.499 -3.156 -0.719 1.00 0.00 H new ATOM 1112 N ALA A 654 2.954 -6.908 -4.362 1.00 0.00 N ATOM 1113 CA ALA A 654 2.028 -7.406 -5.378 1.00 0.00 C ATOM 1114 C ALA A 654 0.858 -8.163 -4.754 1.00 0.00 C ATOM 1115 O ALA A 654 -0.298 -7.957 -5.136 1.00 0.00 O ATOM 1116 CB ALA A 654 2.765 -8.297 -6.366 1.00 0.00 C ATOM 0 H ALA A 654 3.919 -7.214 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 654 1.619 -6.544 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 654 2.066 -8.662 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.555 -7.725 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.203 -9.143 -5.836 1.00 0.00 H new ATOM 1122 N GLU A 655 1.169 -9.029 -3.791 1.00 0.00 N ATOM 1123 CA GLU A 655 0.143 -9.816 -3.089 1.00 0.00 C ATOM 1124 C GLU A 655 -0.910 -8.909 -2.467 1.00 0.00 C ATOM 1125 O GLU A 655 -2.112 -9.140 -2.616 1.00 0.00 O ATOM 1126 CB GLU A 655 0.755 -10.699 -1.984 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.256 -11.130 -0.925 1.00 0.00 C ATOM 1128 CD GLU A 655 0.389 -11.775 0.282 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.627 -13.000 0.248 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.661 -11.057 1.273 1.00 0.00 O ATOM 0 H GLU A 655 2.122 -9.207 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.321 -10.459 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.194 -11.587 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.566 -10.154 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.829 -10.260 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.963 -11.830 -1.370 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.450 -7.870 -1.782 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.337 -7.029 -0.992 1.00 0.00 C ATOM 1139 C LYS A 656 -2.341 -6.323 -1.888 1.00 0.00 C ATOM 1140 O LYS A 656 -3.518 -6.206 -1.546 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.553 -5.991 -0.178 1.00 0.00 C ATOM 1142 CG LYS A 656 0.738 -6.506 0.450 1.00 0.00 C ATOM 1143 CD LYS A 656 0.588 -7.879 1.101 1.00 0.00 C ATOM 1144 CE LYS A 656 -0.492 -7.911 2.167 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.501 -9.211 2.890 1.00 0.00 N ATOM 0 H LYS A 656 0.531 -7.591 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.868 -7.679 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 656 -0.313 -5.149 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.198 -5.610 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.511 -6.558 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.079 -5.792 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.356 -8.617 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 656 1.539 -8.171 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 656 -0.330 -7.099 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -1.465 -7.742 1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -1.452 -9.630 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 0.185 -9.857 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -0.243 -9.056 3.886 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.871 -5.868 -3.039 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.720 -5.150 -3.975 1.00 0.00 C ATOM 1161 C ILE A 657 -3.877 -6.033 -4.437 1.00 0.00 C ATOM 1162 O ILE A 657 -5.038 -5.622 -4.386 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.910 -4.662 -5.200 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.784 -3.729 -4.743 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.819 -3.956 -6.201 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.124 -3.270 -5.863 1.00 0.00 C ATOM 0 H ILE A 657 -0.906 -5.984 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.122 -4.279 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.470 -5.527 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.223 -2.854 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.185 -4.240 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.230 -3.621 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.591 -4.646 -6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.287 -3.095 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.895 -2.613 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.593 -4.136 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.461 -2.729 -6.607 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.563 -7.254 -4.860 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.593 -8.161 -5.355 1.00 0.00 C ATOM 1180 C TYR A 658 -5.553 -8.563 -4.237 1.00 0.00 C ATOM 1181 O TYR A 658 -6.753 -8.679 -4.473 1.00 0.00 O ATOM 1182 CB TYR A 658 -4.005 -9.406 -6.041 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.963 -10.020 -7.052 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.443 -9.260 -8.116 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -5.396 -11.342 -6.950 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.323 -9.791 -9.036 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -6.276 -11.878 -7.874 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.737 -11.098 -8.912 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.621 -11.627 -9.831 1.00 0.00 O ATOM 0 H TYR A 658 -2.617 -7.634 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 658 -5.151 -7.613 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -3.076 -9.136 -6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.754 -10.150 -5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.120 -8.235 -8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -5.039 -11.957 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.686 -9.183 -9.851 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -6.600 -12.904 -7.782 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.811 -12.561 -9.602 1.00 0.00 H new ATOM 1199 N LYS A 659 -5.033 -8.783 -3.023 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.882 -9.200 -1.907 1.00 0.00 C ATOM 1201 C LYS A 659 -6.954 -8.157 -1.611 1.00 0.00 C ATOM 1202 O LYS A 659 -8.132 -8.491 -1.475 1.00 0.00 O ATOM 1203 CB LYS A 659 -5.054 -9.478 -0.648 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.239 -10.762 -0.718 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.134 -11.988 -0.857 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.314 -13.257 -1.024 1.00 0.00 C ATOM 1207 NZ LYS A 659 -5.171 -14.438 -1.309 1.00 0.00 N ATOM 0 H LYS A 659 -4.045 -8.681 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.373 -10.126 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.379 -8.640 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.723 -9.530 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.554 -10.713 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.629 -10.856 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.770 -12.077 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.794 -11.863 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.599 -13.123 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.737 -13.438 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -4.574 -15.283 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.836 -14.582 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -5.703 -14.277 -2.188 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.546 -6.898 -1.530 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.484 -5.806 -1.299 1.00 0.00 C ATOM 1223 C ILE A 660 -8.472 -5.680 -2.460 1.00 0.00 C ATOM 1224 O ILE A 660 -9.664 -5.455 -2.244 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.744 -4.470 -1.016 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.641 -4.261 0.496 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.430 -3.274 -1.675 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.809 -3.061 0.894 1.00 0.00 C ATOM 0 H ILE A 660 -5.573 -6.607 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 660 -8.061 -6.041 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.747 -4.539 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.644 -4.147 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.211 -5.155 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.874 -2.365 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.459 -3.421 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.447 -3.183 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.784 -2.980 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.794 -3.180 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.249 -2.157 0.473 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.988 -5.865 -3.688 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.870 -5.821 -4.863 1.00 0.00 C ATOM 1242 C GLN A 661 -9.872 -6.966 -4.804 1.00 0.00 C ATOM 1243 O GLN A 661 -11.041 -6.811 -5.166 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.091 -5.899 -6.189 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.246 -4.667 -6.498 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.555 -4.772 -7.841 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -6.210 -5.865 -8.293 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -6.353 -3.641 -8.490 1.00 0.00 N ATOM 0 H GLN A 661 -7.006 -6.044 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.386 -4.861 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.441 -6.773 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.799 -6.052 -7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.880 -3.781 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.499 -4.535 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.654 -2.757 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.896 -3.651 -9.402 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.398 -8.119 -4.355 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.226 -9.303 -4.243 1.00 0.00 C ATOM 1259 C LYS A 662 -11.331 -9.078 -3.218 1.00 0.00 C ATOM 1260 O LYS A 662 -12.482 -9.438 -3.452 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.370 -10.512 -3.850 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.143 -11.819 -3.762 1.00 0.00 C ATOM 1263 CD LYS A 662 -10.736 -12.215 -5.104 1.00 0.00 C ATOM 1264 CE LYS A 662 -11.427 -13.567 -5.034 1.00 0.00 C ATOM 1265 NZ LYS A 662 -12.574 -13.566 -4.086 1.00 0.00 N ATOM 0 H LYS A 662 -8.431 -8.256 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.686 -9.503 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.566 -10.626 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.902 -10.314 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.481 -12.610 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.941 -11.720 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -11.451 -11.457 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -9.947 -12.248 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -11.780 -13.844 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.706 -14.326 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -13.105 -14.455 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -12.219 -13.479 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -13.200 -12.763 -4.299 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.975 -8.469 -2.091 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.941 -8.182 -1.038 1.00 0.00 C ATOM 1281 C GLU A 663 -12.998 -7.189 -1.505 1.00 0.00 C ATOM 1282 O GLU A 663 -14.181 -7.368 -1.227 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.251 -7.664 0.219 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.374 -8.701 0.892 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.074 -8.351 2.329 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -10.939 -8.621 3.195 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -8.983 -7.824 2.604 1.00 0.00 O ATOM 0 H GLU A 663 -10.024 -8.165 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.439 -9.121 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.643 -6.797 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -12.007 -7.324 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -10.867 -9.672 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.439 -8.796 0.340 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.579 -6.148 -2.220 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.522 -5.173 -2.761 1.00 0.00 C ATOM 1296 C LEU A 664 -14.531 -5.868 -3.668 1.00 0.00 C ATOM 1297 O LEU A 664 -15.737 -5.631 -3.571 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.789 -4.075 -3.538 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.795 -3.250 -2.723 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -11.008 -2.324 -3.631 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.517 -2.451 -1.648 1.00 0.00 C ATOM 0 H LEU A 664 -11.601 -5.959 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 664 -14.049 -4.709 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.257 -4.536 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.530 -3.400 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 664 -11.100 -3.933 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.304 -1.743 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.461 -2.914 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.693 -1.649 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.792 -1.870 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -13.235 -1.777 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -13.042 -3.133 -0.979 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.024 -6.744 -4.529 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.858 -7.514 -5.440 1.00 0.00 C ATOM 1315 C GLU A 665 -15.763 -8.456 -4.642 1.00 0.00 C ATOM 1316 O GLU A 665 -16.954 -8.591 -4.926 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.957 -8.303 -6.396 1.00 0.00 C ATOM 1318 CG GLU A 665 -14.454 -8.362 -7.834 1.00 0.00 C ATOM 1319 CD GLU A 665 -15.694 -9.212 -8.003 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -15.600 -10.447 -7.831 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -16.762 -8.655 -8.332 1.00 0.00 O ATOM 0 H GLU A 665 -13.026 -6.939 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.492 -6.845 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -12.962 -7.857 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.853 -9.321 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -14.665 -7.350 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -13.661 -8.757 -8.469 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.177 -9.085 -3.626 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.891 -10.004 -2.746 1.00 0.00 C ATOM 1330 C GLU A 666 -17.070 -9.309 -2.067 1.00 0.00 C ATOM 1331 O GLU A 666 -18.165 -9.860 -1.985 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.934 -10.549 -1.681 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.523 -11.663 -0.833 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.770 -12.921 -1.632 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.821 -13.716 -1.795 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -16.906 -13.123 -2.107 1.00 0.00 O ATOM 0 H GLU A 666 -14.191 -8.971 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.277 -10.825 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.033 -10.917 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.630 -9.731 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.846 -11.886 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.461 -11.325 -0.393 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.836 -8.101 -1.581 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.872 -7.330 -0.907 1.00 0.00 C ATOM 1345 C LYS A 667 -19.012 -6.984 -1.859 1.00 0.00 C ATOM 1346 O LYS A 667 -20.181 -7.006 -1.466 1.00 0.00 O ATOM 1347 CB LYS A 667 -17.291 -6.062 -0.275 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.244 -6.348 0.795 1.00 0.00 C ATOM 1349 CD LYS A 667 -16.426 -5.463 2.022 1.00 0.00 C ATOM 1350 CE LYS A 667 -16.322 -3.977 1.705 1.00 0.00 C ATOM 1351 NZ LYS A 667 -16.471 -3.151 2.933 1.00 0.00 N ATOM 0 H LYS A 667 -15.933 -7.630 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 667 -18.278 -7.952 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -16.844 -5.447 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -18.101 -5.480 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -16.305 -7.395 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -15.249 -6.191 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -17.399 -5.666 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -15.673 -5.724 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -15.359 -3.769 1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -17.091 -3.702 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -17.165 -2.396 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -16.799 -3.751 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -15.554 -2.728 3.180 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.676 -6.673 -3.113 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.670 -6.277 -4.107 1.00 0.00 C ATOM 1367 C ARG A 668 -20.661 -7.390 -4.407 1.00 0.00 C ATOM 1368 O ARG A 668 -21.631 -7.197 -5.141 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.995 -5.821 -5.398 1.00 0.00 C ATOM 1370 CG ARG A 668 -18.140 -4.578 -5.237 1.00 0.00 C ATOM 1371 CD ARG A 668 -17.376 -4.274 -6.512 1.00 0.00 C ATOM 1372 NE ARG A 668 -16.497 -3.117 -6.368 1.00 0.00 N ATOM 1373 CZ ARG A 668 -15.409 -2.918 -7.107 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -15.071 -3.793 -8.049 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -14.660 -1.842 -6.911 1.00 0.00 N ATOM 0 H ARG A 668 -17.718 -6.689 -3.463 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.227 -5.444 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.373 -6.632 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -19.761 -5.629 -6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -18.772 -3.729 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -17.439 -4.718 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -16.784 -5.144 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -18.083 -4.092 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 668 -16.731 -2.421 -5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -15.647 -4.620 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -14.236 -3.637 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -14.918 -1.165 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -13.826 -1.691 -7.478 1.00 0.00 H new ATOM 1389 N ARG A 669 -20.381 -8.550 -3.856 1.00 0.00 N ATOM 1390 CA ARG A 669 -21.304 -9.683 -3.887 1.00 0.00 C ATOM 1391 C ARG A 669 -22.701 -9.251 -3.452 1.00 0.00 C ATOM 1392 O ARG A 669 -23.702 -9.746 -3.970 1.00 0.00 O ATOM 1393 CB ARG A 669 -20.777 -10.819 -2.997 1.00 0.00 C ATOM 1394 CG ARG A 669 -21.743 -11.980 -2.810 1.00 0.00 C ATOM 1395 CD ARG A 669 -22.615 -11.782 -1.579 1.00 0.00 C ATOM 1396 NE ARG A 669 -23.693 -12.760 -1.505 1.00 0.00 N ATOM 1397 CZ ARG A 669 -24.520 -12.879 -0.470 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -24.368 -12.104 0.600 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -25.497 -13.771 -0.504 1.00 0.00 N ATOM 0 H ARG A 669 -19.506 -8.744 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 669 -21.372 -10.052 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -19.851 -11.200 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -20.528 -10.410 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -22.374 -12.076 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -21.183 -12.910 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -21.998 -11.855 -0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -23.038 -10.778 -1.593 1.00 0.00 H new ATOM 0 HE ARG A 669 -23.821 -13.392 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -23.616 -11.416 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -25.004 -12.198 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -25.615 -14.367 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -26.132 -13.863 0.289 1.00 0.00 H new ATOM 1413 N SER A 670 -22.767 -8.325 -2.510 1.00 0.00 N ATOM 1414 CA SER A 670 -24.045 -7.761 -2.126 1.00 0.00 C ATOM 1415 C SER A 670 -24.234 -6.369 -2.753 1.00 0.00 C ATOM 1416 O SER A 670 -25.347 -6.033 -3.164 1.00 0.00 O ATOM 1417 CB SER A 670 -24.239 -7.772 -0.593 1.00 0.00 C ATOM 1418 OG SER A 670 -24.272 -9.106 -0.109 1.00 0.00 O ATOM 0 H SER A 670 -21.962 -7.954 -2.005 1.00 0.00 H new ATOM 0 HA SER A 670 -24.836 -8.396 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 670 -23.428 -7.224 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 670 -25.166 -7.261 -0.333 1.00 0.00 H new ATOM 0 HG SER A 670 -24.394 -9.098 0.863 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.152 -5.559 -2.806 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.130 -4.330 -3.607 1.00 0.00 C ATOM 1426 C ARG A 671 -23.885 -3.216 -2.883 1.00 0.00 C ATOM 1427 O ARG A 671 -24.632 -3.476 -1.939 1.00 0.00 O ATOM 1428 CB ARG A 671 -23.744 -4.577 -4.998 1.00 0.00 C ATOM 1429 CG ARG A 671 -23.641 -3.401 -5.960 1.00 0.00 C ATOM 1430 CD ARG A 671 -24.869 -3.311 -6.852 1.00 0.00 C ATOM 1431 NE ARG A 671 -26.063 -2.930 -6.093 1.00 0.00 N ATOM 1432 CZ ARG A 671 -27.218 -3.601 -6.114 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -27.353 -4.688 -6.864 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -28.243 -3.180 -5.384 1.00 0.00 N ATOM 0 H ARG A 671 -22.285 -5.741 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 671 -22.093 -4.023 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -23.254 -5.440 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -24.796 -4.836 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -23.529 -2.475 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -22.748 -3.509 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -24.692 -2.582 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -25.038 -4.272 -7.337 1.00 0.00 H new ATOM 0 HE ARG A 671 -26.009 -2.096 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -26.571 -5.017 -7.430 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -28.239 -5.194 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -28.149 -2.344 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -29.125 -3.692 -5.400 1.00 0.00 H new ATOM 1448 N LEU A 672 -23.656 -1.979 -3.287 1.00 0.00 N ATOM 1449 CA LEU A 672 -24.430 -0.862 -2.773 1.00 0.00 C ATOM 1450 C LEU A 672 -25.818 -0.863 -3.407 1.00 0.00 C ATOM 1451 O LEU A 672 -25.930 -0.551 -4.612 1.00 0.00 O ATOM 1452 CB LEU A 672 -23.710 0.464 -3.051 1.00 0.00 C ATOM 1453 CG LEU A 672 -22.350 0.618 -2.363 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -21.682 1.912 -2.791 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -22.506 0.577 -0.849 1.00 0.00 C ATOM 1456 OXT LEU A 672 -26.793 -1.200 -2.703 1.00 0.00 O ATOM 0 H LEU A 672 -22.942 -1.722 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 672 -24.535 -0.970 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -23.570 0.565 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -24.355 1.284 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 672 -21.717 -0.216 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -20.717 2.005 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -21.534 1.905 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -22.315 2.756 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -21.529 0.688 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -23.157 1.390 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -22.944 -0.377 -0.554 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 0.881 -9.531 9.099 1.00 0.00 N ATOM 1470 CA ASP B 840 0.806 -10.005 10.478 1.00 0.00 C ATOM 1471 C ASP B 840 -0.150 -11.181 10.577 1.00 0.00 C ATOM 1472 O ASP B 840 -1.366 -10.989 10.670 1.00 0.00 O ATOM 1473 CB ASP B 840 0.365 -8.894 11.451 1.00 0.00 C ATOM 1474 CG ASP B 840 1.477 -7.920 11.776 1.00 0.00 C ATOM 1475 OD1 ASP B 840 2.478 -8.338 12.394 1.00 0.00 O ATOM 1476 OD2 ASP B 840 1.341 -6.725 11.447 1.00 0.00 O ATOM 0 HA ASP B 840 1.809 -10.320 10.766 1.00 0.00 H new ATOM 0 HB2 ASP B 840 -0.473 -8.349 11.016 1.00 0.00 H new ATOM 0 HB3 ASP B 840 0.005 -9.348 12.374 1.00 0.00 H new ATOM 1481 N ALA B 841 0.413 -12.392 10.567 1.00 0.00 N ATOM 1482 CA ALA B 841 -0.357 -13.626 10.639 1.00 0.00 C ATOM 1483 C ALA B 841 -1.513 -13.644 9.641 1.00 0.00 C ATOM 1484 O ALA B 841 -2.670 -13.425 10.006 1.00 0.00 O ATOM 1485 CB ALA B 841 -0.850 -13.835 12.056 1.00 0.00 C ATOM 0 H ALA B 841 1.421 -12.539 10.508 1.00 0.00 H new ATOM 0 HA ALA B 841 0.299 -14.452 10.364 1.00 0.00 H new ATOM 0 HB1 ALA B 841 -1.426 -14.759 12.108 1.00 0.00 H new ATOM 0 HB2 ALA B 841 0.003 -13.900 12.732 1.00 0.00 H new ATOM 0 HB3 ALA B 841 -1.482 -12.996 12.349 1.00 0.00 H new ATOM 1491 N GLY B 842 -1.192 -13.907 8.386 1.00 0.00 N ATOM 1492 CA GLY B 842 -2.196 -13.947 7.357 1.00 0.00 C ATOM 1493 C GLY B 842 -1.852 -13.052 6.189 1.00 0.00 C ATOM 1494 O GLY B 842 -1.345 -11.944 6.370 1.00 0.00 O ATOM 0 H GLY B 842 -0.243 -14.095 8.063 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.313 -14.972 7.005 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -3.155 -13.643 7.776 1.00 0.00 H new ATOM 1498 N ASN B 843 -2.125 -13.530 4.985 1.00 0.00 N ATOM 1499 CA ASN B 843 -1.782 -12.796 3.772 1.00 0.00 C ATOM 1500 C ASN B 843 -2.847 -11.757 3.414 1.00 0.00 C ATOM 1501 O ASN B 843 -2.637 -10.927 2.530 1.00 0.00 O ATOM 1502 CB ASN B 843 -1.589 -13.764 2.599 1.00 0.00 C ATOM 1503 CG ASN B 843 -0.449 -14.748 2.818 1.00 0.00 C ATOM 1504 OD1 ASN B 843 0.571 -14.337 3.558 1.00 0.00 O flip ATOM 1505 ND2 ASN B 843 -0.487 -15.875 2.321 1.00 0.00 N flip ATOM 0 H ASN B 843 -2.584 -14.425 4.819 1.00 0.00 H new ATOM 0 HA ASN B 843 -0.849 -12.268 3.966 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -2.513 -14.318 2.437 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -1.398 -13.192 1.691 1.00 0.00 H new ATOM 0 HD21 ASN B 843 -1.289 -16.157 1.757 1.00 0.00 H new ATOM 0 HD22 ASN B 843 0.283 -16.526 2.474 1.00 0.00 H new ATOM 1512 N ILE B 844 -3.974 -11.784 4.111 1.00 0.00 N ATOM 1513 CA ILE B 844 -5.074 -10.867 3.805 1.00 0.00 C ATOM 1514 C ILE B 844 -5.018 -9.640 4.717 1.00 0.00 C ATOM 1515 O ILE B 844 -4.556 -9.722 5.858 1.00 0.00 O ATOM 1516 CB ILE B 844 -6.460 -11.557 3.916 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -6.409 -12.946 3.259 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -7.531 -10.700 3.253 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -7.760 -13.609 3.107 1.00 0.00 C ATOM 0 H ILE B 844 -4.155 -12.422 4.886 1.00 0.00 H new ATOM 0 HA ILE B 844 -4.950 -10.550 2.770 1.00 0.00 H new ATOM 0 HB ILE B 844 -6.712 -11.674 4.970 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -5.949 -12.854 2.275 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -5.764 -13.593 3.853 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -8.498 -11.196 3.338 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -7.576 -9.729 3.746 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.286 -10.561 2.200 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -7.636 -14.584 2.635 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -8.215 -13.736 4.089 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -8.404 -12.985 2.487 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.476 -8.508 4.198 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.340 -7.222 4.872 1.00 0.00 C ATOM 1533 C LEU B 845 -6.574 -6.908 5.721 1.00 0.00 C ATOM 1534 O LEU B 845 -7.641 -7.472 5.499 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.111 -6.145 3.811 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.802 -6.304 3.032 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -4.041 -6.157 1.541 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -2.773 -5.292 3.505 1.00 0.00 C ATOM 0 H LEU B 845 -5.952 -8.455 3.298 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.490 -7.253 5.554 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.944 -6.160 3.108 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.118 -5.168 4.293 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.415 -7.306 3.220 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.097 -6.274 1.008 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.743 -6.922 1.208 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.455 -5.170 1.334 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -1.850 -5.421 2.940 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -3.156 -4.284 3.349 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -2.573 -5.445 4.566 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.425 -6.020 6.725 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.502 -5.672 7.665 1.00 0.00 C ATOM 1552 C PRO B 846 -8.792 -5.212 6.984 1.00 0.00 C ATOM 1553 O PRO B 846 -8.805 -4.244 6.218 1.00 0.00 O ATOM 1554 CB PRO B 846 -6.910 -4.524 8.497 1.00 0.00 C ATOM 1555 CG PRO B 846 -5.702 -4.075 7.750 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.191 -5.291 7.042 1.00 0.00 C ATOM 0 HA PRO B 846 -7.797 -6.544 8.248 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.627 -3.711 8.610 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -6.649 -4.860 9.500 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.950 -3.285 7.042 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -4.950 -3.671 8.428 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -4.631 -5.031 6.143 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.525 -5.878 7.674 1.00 0.00 H new ATOM 1564 N SER B 847 -9.873 -5.919 7.302 1.00 0.00 N ATOM 1565 CA SER B 847 -11.210 -5.603 6.815 1.00 0.00 C ATOM 1566 C SER B 847 -11.605 -4.167 7.164 1.00 0.00 C ATOM 1567 O SER B 847 -12.282 -3.493 6.386 1.00 0.00 O ATOM 1568 CB SER B 847 -12.222 -6.591 7.397 1.00 0.00 C ATOM 1569 OG SER B 847 -12.031 -6.757 8.795 1.00 0.00 O ATOM 0 H SER B 847 -9.844 -6.736 7.912 1.00 0.00 H new ATOM 0 HA SER B 847 -11.207 -5.691 5.729 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.234 -6.235 7.205 1.00 0.00 H new ATOM 0 HB3 SER B 847 -12.123 -7.554 6.897 1.00 0.00 H new ATOM 0 HG SER B 847 -12.692 -7.392 9.142 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.182 -3.718 8.344 1.00 0.00 N ATOM 1576 CA ASP B 848 -11.555 -2.397 8.862 1.00 0.00 C ATOM 1577 C ASP B 848 -11.255 -1.281 7.861 1.00 0.00 C ATOM 1578 O ASP B 848 -12.120 -0.449 7.584 1.00 0.00 O ATOM 1579 CB ASP B 848 -10.822 -2.094 10.175 1.00 0.00 C ATOM 1580 CG ASP B 848 -11.174 -0.725 10.723 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -12.278 -0.567 11.286 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -10.351 0.201 10.593 1.00 0.00 O ATOM 0 H ASP B 848 -10.576 -4.252 8.966 1.00 0.00 H new ATOM 0 HA ASP B 848 -12.630 -2.428 9.038 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.073 -2.855 10.914 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -9.746 -2.152 10.011 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.043 -1.271 7.313 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.650 -0.228 6.367 1.00 0.00 C ATOM 1589 C ILE B 849 -10.494 -0.310 5.101 1.00 0.00 C ATOM 1590 O ILE B 849 -10.867 0.712 4.529 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.147 -0.277 6.000 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.285 -0.351 7.269 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.770 0.956 5.178 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.456 0.834 8.207 1.00 0.00 C ATOM 0 H ILE B 849 -9.321 -1.966 7.504 1.00 0.00 H new ATOM 0 HA ILE B 849 -9.827 0.724 6.868 1.00 0.00 H new ATOM 0 HB ILE B 849 -7.962 -1.171 5.405 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.530 -1.266 7.809 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.237 -0.423 6.979 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.711 0.914 4.924 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.362 0.978 4.263 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -7.968 1.856 5.760 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -6.813 0.705 9.078 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.182 1.752 7.687 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.495 0.896 8.529 1.00 0.00 H new ATOM 1606 N MET B 850 -10.788 -1.531 4.664 1.00 0.00 N ATOM 1607 CA MET B 850 -11.636 -1.742 3.495 1.00 0.00 C ATOM 1608 C MET B 850 -12.994 -1.069 3.682 1.00 0.00 C ATOM 1609 O MET B 850 -13.502 -0.411 2.779 1.00 0.00 O ATOM 1610 CB MET B 850 -11.826 -3.238 3.222 1.00 0.00 C ATOM 1611 CG MET B 850 -10.578 -3.954 2.714 1.00 0.00 C ATOM 1612 SD MET B 850 -10.258 -3.693 0.951 1.00 0.00 S ATOM 1613 CE MET B 850 -9.623 -2.017 0.914 1.00 0.00 C ATOM 0 H MET B 850 -10.452 -2.389 5.101 1.00 0.00 H new ATOM 0 HA MET B 850 -11.138 -1.292 2.636 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.158 -3.722 4.140 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.624 -3.362 2.490 1.00 0.00 H new ATOM 0 HG2 MET B 850 -9.715 -3.612 3.286 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.681 -5.023 2.901 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.766 -1.967 0.242 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.401 -1.341 0.560 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.315 -1.722 1.917 1.00 0.00 H new ATOM 1623 N ASP B 851 -13.589 -1.249 4.849 1.00 0.00 N ATOM 1624 CA ASP B 851 -14.831 -0.555 5.181 1.00 0.00 C ATOM 1625 C ASP B 851 -14.618 0.957 5.267 1.00 0.00 C ATOM 1626 O ASP B 851 -15.474 1.737 4.848 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.421 -1.083 6.497 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.041 -2.450 6.330 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -17.109 -2.546 5.696 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -15.451 -3.436 6.807 1.00 0.00 O ATOM 0 H ASP B 851 -13.238 -1.865 5.582 1.00 0.00 H new ATOM 0 HA ASP B 851 -15.540 -0.754 4.377 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -14.637 -1.130 7.253 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.174 -0.385 6.862 1.00 0.00 H new ATOM 1635 N PHE B 852 -13.482 1.358 5.824 1.00 0.00 N ATOM 1636 CA PHE B 852 -13.154 2.768 6.002 1.00 0.00 C ATOM 1637 C PHE B 852 -13.076 3.491 4.651 1.00 0.00 C ATOM 1638 O PHE B 852 -13.645 4.570 4.486 1.00 0.00 O ATOM 1639 CB PHE B 852 -11.827 2.884 6.766 1.00 0.00 C ATOM 1640 CG PHE B 852 -11.563 4.239 7.358 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -12.478 4.824 8.218 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -10.388 4.916 7.075 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -12.229 6.061 8.780 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -10.135 6.154 7.634 1.00 0.00 C ATOM 1645 CZ PHE B 852 -11.057 6.726 8.487 1.00 0.00 C ATOM 0 H PHE B 852 -12.764 0.718 6.164 1.00 0.00 H new ATOM 0 HA PHE B 852 -13.944 3.248 6.580 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -11.818 2.144 7.566 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -11.010 2.632 6.090 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -13.397 4.307 8.452 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -9.662 4.471 6.410 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -12.951 6.507 9.448 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -9.217 6.674 7.404 1.00 0.00 H new ATOM 0 HZ PHE B 852 -10.861 7.694 8.925 1.00 0.00 H new ATOM 1655 N VAL B 853 -12.374 2.893 3.688 1.00 0.00 N ATOM 1656 CA VAL B 853 -12.267 3.468 2.346 1.00 0.00 C ATOM 1657 C VAL B 853 -13.624 3.480 1.632 1.00 0.00 C ATOM 1658 O VAL B 853 -13.949 4.423 0.910 1.00 0.00 O ATOM 1659 CB VAL B 853 -11.204 2.751 1.476 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -11.516 1.275 1.296 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -11.076 3.441 0.127 1.00 0.00 C ATOM 0 H VAL B 853 -11.872 2.013 3.811 1.00 0.00 H new ATOM 0 HA VAL B 853 -11.936 4.498 2.480 1.00 0.00 H new ATOM 0 HB VAL B 853 -10.251 2.816 2.001 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -10.745 0.813 0.680 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -11.543 0.787 2.270 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -12.485 1.165 0.808 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -10.326 2.928 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -12.036 3.413 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -10.774 4.478 0.276 1.00 0.00 H new ATOM 1671 N LEU B 854 -14.406 2.422 1.821 1.00 0.00 N ATOM 1672 CA LEU B 854 -15.765 2.364 1.283 1.00 0.00 C ATOM 1673 C LEU B 854 -16.584 3.560 1.760 1.00 0.00 C ATOM 1674 O LEU B 854 -17.427 4.076 1.026 1.00 0.00 O ATOM 1675 CB LEU B 854 -16.465 1.049 1.658 1.00 0.00 C ATOM 1676 CG LEU B 854 -16.423 -0.075 0.603 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -17.401 0.191 -0.539 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -15.016 -0.254 0.052 1.00 0.00 C ATOM 0 H LEU B 854 -14.124 1.592 2.342 1.00 0.00 H new ATOM 0 HA LEU B 854 -15.691 2.402 0.196 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -16.015 0.672 2.577 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -17.509 1.269 1.881 1.00 0.00 H new ATOM 0 HG LEU B 854 -16.724 -0.996 1.102 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -17.344 -0.621 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -18.415 0.254 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.143 1.131 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -15.015 -1.053 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -14.687 0.675 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.337 -0.513 0.865 1.00 0.00 H new ATOM 1690 N LYS B 855 -16.346 3.993 2.998 1.00 0.00 N ATOM 1691 CA LYS B 855 -17.112 5.096 3.580 1.00 0.00 C ATOM 1692 C LYS B 855 -16.516 6.453 3.178 1.00 0.00 C ATOM 1693 O LYS B 855 -16.868 7.489 3.736 1.00 0.00 O ATOM 1694 CB LYS B 855 -17.175 4.959 5.113 1.00 0.00 C ATOM 1695 CG LYS B 855 -18.211 5.865 5.787 1.00 0.00 C ATOM 1696 CD LYS B 855 -19.613 5.625 5.243 1.00 0.00 C ATOM 1697 CE LYS B 855 -20.063 4.189 5.457 1.00 0.00 C ATOM 1698 NZ LYS B 855 -21.426 3.951 4.920 1.00 0.00 N ATOM 0 H LYS B 855 -15.634 3.600 3.614 1.00 0.00 H new ATOM 0 HA LYS B 855 -18.128 5.048 3.188 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -17.399 3.922 5.364 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -16.191 5.182 5.526 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -18.203 5.688 6.863 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -17.936 6.908 5.634 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -20.313 6.302 5.732 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -19.635 5.858 4.178 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -19.359 3.512 4.974 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -20.047 3.958 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -21.696 2.960 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -22.102 4.579 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -21.436 4.146 3.899 1.00 0.00 H new ATOM 1712 N ASN B 856 -15.626 6.447 2.194 1.00 0.00 N ATOM 1713 CA ASN B 856 -15.054 7.690 1.679 1.00 0.00 C ATOM 1714 C ASN B 856 -15.879 8.166 0.489 1.00 0.00 C ATOM 1715 O ASN B 856 -16.173 7.386 -0.416 1.00 0.00 O ATOM 1716 CB ASN B 856 -13.597 7.482 1.243 1.00 0.00 C ATOM 1717 CG ASN B 856 -12.876 8.790 0.960 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -12.103 9.260 1.928 1.00 0.00 O flip ATOM 1719 ND2 ASN B 856 -12.985 9.356 -0.125 1.00 0.00 N flip ATOM 0 H ASN B 856 -15.284 5.602 1.737 1.00 0.00 H new ATOM 0 HA ASN B 856 -15.073 8.439 2.471 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -13.063 6.939 2.023 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -13.575 6.859 0.349 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -13.590 8.964 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -12.470 10.218 -0.304 1.00 0.00 H new ATOM 1726 N THR B 857 -16.263 9.433 0.496 1.00 0.00 N ATOM 1727 CA THR B 857 -17.099 9.974 -0.562 1.00 0.00 C ATOM 1728 C THR B 857 -16.318 10.962 -1.430 1.00 0.00 C ATOM 1729 O THR B 857 -16.110 12.110 -1.036 1.00 0.00 O ATOM 1730 CB THR B 857 -18.339 10.681 0.017 1.00 0.00 C ATOM 1731 OG1 THR B 857 -18.943 9.866 1.032 1.00 0.00 O ATOM 1732 CG2 THR B 857 -19.357 10.966 -1.076 1.00 0.00 C ATOM 0 H THR B 857 -16.009 10.104 1.221 1.00 0.00 H new ATOM 0 HA THR B 857 -17.421 9.134 -1.177 1.00 0.00 H new ATOM 0 HB THR B 857 -18.018 11.627 0.453 1.00 0.00 H new ATOM 0 HG1 THR B 857 -19.729 10.325 1.395 1.00 0.00 H new ATOM 0 HG21 THR B 857 -20.224 11.466 -0.644 1.00 0.00 H new ATOM 0 HG22 THR B 857 -18.908 11.609 -1.833 1.00 0.00 H new ATOM 0 HG23 THR B 857 -19.670 10.028 -1.535 1.00 0.00 H new ATOM 1740 N PRO B 858 -15.861 10.521 -2.612 1.00 0.00 N ATOM 1741 CA PRO B 858 -15.166 11.389 -3.555 1.00 0.00 C ATOM 1742 C PRO B 858 -16.136 12.262 -4.350 1.00 0.00 C ATOM 1743 O PRO B 858 -16.610 11.818 -5.420 1.00 0.00 O ATOM 1744 CB PRO B 858 -14.437 10.404 -4.469 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.251 9.154 -4.431 1.00 0.00 C ATOM 1746 CD PRO B 858 -15.976 9.137 -3.109 1.00 0.00 C ATOM 1747 OXT PRO B 858 -16.426 13.390 -3.898 1.00 0.00 O ATOM 0 HA PRO B 858 -14.498 12.093 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -14.361 10.793 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -13.421 10.222 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -15.959 9.130 -5.259 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -14.613 8.276 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -17.019 8.844 -3.231 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -15.524 8.427 -2.417 1.00 0.00 H new TER 1755 PRO B 858