USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=27 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 667 LYS NZ :NH3+ -175:sc= 1.21 (180deg=-0.082) USER MOD Set 1.2: B 847 SER OG : rot 26:sc= 0.912 USER MOD Single : A 589 LYS NZ :NH3+ -131:sc= -0.606 (180deg=-2.48!) USER MOD Single : A 592 HIS : +bothHN:sc= 0.234 K(o=0.23,f=-4.9!) USER MOD Single : A 594 HIS : no HD1:sc= 0.0335 X(o=0.033,f=-0.32) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 597 GLN : amide:sc= 0.0997 K(o=0.1,f=-1.3) USER MOD Single : A 601 SER OG : rot 6:sc= -0.0924 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ -167:sc= -0.0387 (180deg=-0.233) USER MOD Single : A 609 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 614 THR OG1 : rot 123:sc= 1.21 USER MOD Single : A 621 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.188) USER MOD Single : A 625 MET CE :methyl -138:sc= -0.105 (180deg=-0.956) USER MOD Single : A 627 ASN :FLIP amide:sc= -0.0308 F(o=-1.9!,f=-0.031) USER MOD Single : A 631 TYR OH : rot 50:sc= -0.7 USER MOD Single : A 633 LYS NZ :NH3+ 131:sc= -0.0536 (180deg=-0.413) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 161:sc= -2.48! (180deg=-3.3!) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0472 F(o=-1,f=-0.047) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 30:sc= -0.259 USER MOD Single : A 650 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 651 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0.861 (180deg=0.861) 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 :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 662 LYS NZ :NH3+ -166:sc=-0.00525 (180deg=-0.157) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : B 843 ASN : amide:sc= 1.21 K(o=1.2,f=-0.41) USER MOD Single : B 850 MET CE :methyl -151:sc= -0.628 (180deg=-0.776) USER MOD Single : B 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 856 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 27.856 -8.291 1.122 1.00 0.00 N ATOM 2 CA GLY A 586 26.853 -8.935 1.943 1.00 0.00 C ATOM 3 C GLY A 586 27.153 -8.737 3.414 1.00 0.00 C ATOM 4 O GLY A 586 27.673 -9.636 4.078 1.00 0.00 O ATOM 0 HA2 GLY A 586 25.869 -8.527 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 586 26.819 -10.000 1.714 1.00 0.00 H new ATOM 8 N VAL A 587 26.833 -7.555 3.918 1.00 0.00 N ATOM 9 CA VAL A 587 27.172 -7.171 5.283 1.00 0.00 C ATOM 10 C VAL A 587 26.061 -6.312 5.873 1.00 0.00 C ATOM 11 O VAL A 587 25.231 -5.773 5.142 1.00 0.00 O ATOM 12 CB VAL A 587 28.507 -6.387 5.348 1.00 0.00 C ATOM 13 CG1 VAL A 587 29.692 -7.296 5.056 1.00 0.00 C ATOM 14 CG2 VAL A 587 28.491 -5.211 4.382 1.00 0.00 C ATOM 0 H VAL A 587 26.333 -6.836 3.396 1.00 0.00 H new ATOM 0 HA VAL A 587 27.286 -8.089 5.860 1.00 0.00 H new ATOM 0 HB VAL A 587 28.616 -6.001 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 587 30.615 -6.719 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 587 29.724 -8.100 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 587 29.587 -7.722 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 587 29.438 -4.675 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 587 28.348 -5.577 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 587 27.675 -4.537 4.643 1.00 0.00 H new ATOM 24 N ARG A 588 26.059 -6.179 7.196 1.00 0.00 N ATOM 25 CA ARG A 588 25.014 -5.441 7.915 1.00 0.00 C ATOM 26 C ARG A 588 25.139 -3.925 7.723 1.00 0.00 C ATOM 27 O ARG A 588 24.528 -3.144 8.453 1.00 0.00 O ATOM 28 CB ARG A 588 25.048 -5.804 9.419 1.00 0.00 C ATOM 29 CG ARG A 588 26.308 -5.348 10.157 1.00 0.00 C ATOM 30 CD ARG A 588 26.135 -3.973 10.784 1.00 0.00 C ATOM 31 NE ARG A 588 27.305 -3.565 11.560 1.00 0.00 N ATOM 32 CZ ARG A 588 27.341 -2.475 12.324 1.00 0.00 C ATOM 33 NH1 ARG A 588 26.284 -1.679 12.396 1.00 0.00 N ATOM 34 NH2 ARG A 588 28.437 -2.178 13.014 1.00 0.00 N ATOM 0 H ARG A 588 26.777 -6.576 7.802 1.00 0.00 H new ATOM 0 HA ARG A 588 24.053 -5.737 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 588 24.178 -5.362 9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 588 24.955 -6.885 9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 588 26.555 -6.072 10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 588 27.147 -5.327 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 588 25.948 -3.239 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 588 25.257 -3.979 11.430 1.00 0.00 H new ATOM 0 HE ARG A 588 28.141 -4.148 11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 588 25.441 -1.901 11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 588 26.313 -0.844 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 588 29.254 -2.786 12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 588 28.461 -1.342 13.598 1.00 0.00 H new ATOM 48 N LYS A 589 25.934 -3.516 6.751 1.00 0.00 N ATOM 49 CA LYS A 589 26.059 -2.114 6.394 1.00 0.00 C ATOM 50 C LYS A 589 25.924 -1.936 4.879 1.00 0.00 C ATOM 51 O LYS A 589 26.693 -2.513 4.106 1.00 0.00 O ATOM 52 CB LYS A 589 27.403 -1.592 6.891 1.00 0.00 C ATOM 53 CG LYS A 589 27.801 -0.242 6.311 1.00 0.00 C ATOM 54 CD LYS A 589 29.117 0.281 6.882 1.00 0.00 C ATOM 55 CE LYS A 589 30.307 -0.608 6.526 1.00 0.00 C ATOM 56 NZ LYS A 589 30.454 -1.766 7.450 1.00 0.00 N ATOM 0 H LYS A 589 26.509 -4.143 6.189 1.00 0.00 H new ATOM 0 HA LYS A 589 25.260 -1.541 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 589 27.370 -1.513 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 589 28.176 -2.321 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 589 27.889 -0.328 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 589 27.010 0.482 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 589 29.296 1.289 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 589 29.035 0.354 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 589 30.190 -0.974 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 589 31.220 -0.013 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 31.440 -1.827 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 29.825 -1.639 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 30.200 -2.643 6.951 1.00 0.00 H new ATOM 70 N GLY A 590 24.939 -1.144 4.457 1.00 0.00 N ATOM 71 CA GLY A 590 24.692 -0.958 3.038 1.00 0.00 C ATOM 72 C GLY A 590 23.833 -2.067 2.477 1.00 0.00 C ATOM 73 O GLY A 590 24.195 -2.718 1.498 1.00 0.00 O ATOM 0 H GLY A 590 24.309 -0.629 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 590 24.201 0.002 2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 590 25.641 -0.925 2.503 1.00 0.00 H new ATOM 77 N TRP A 591 22.690 -2.275 3.105 1.00 0.00 N ATOM 78 CA TRP A 591 21.818 -3.399 2.789 1.00 0.00 C ATOM 79 C TRP A 591 20.852 -3.050 1.662 1.00 0.00 C ATOM 80 O TRP A 591 20.735 -3.767 0.671 1.00 0.00 O ATOM 81 CB TRP A 591 21.023 -3.810 4.032 1.00 0.00 C ATOM 82 CG TRP A 591 21.358 -3.005 5.252 1.00 0.00 C ATOM 83 CD1 TRP A 591 22.212 -3.359 6.252 1.00 0.00 C ATOM 84 CD2 TRP A 591 20.855 -1.706 5.594 1.00 0.00 C ATOM 85 NE1 TRP A 591 22.269 -2.364 7.197 1.00 0.00 N ATOM 86 CE2 TRP A 591 21.442 -1.341 6.818 1.00 0.00 C ATOM 87 CE3 TRP A 591 19.961 -0.822 4.986 1.00 0.00 C ATOM 88 CZ2 TRP A 591 21.167 -0.125 7.441 1.00 0.00 C ATOM 89 CZ3 TRP A 591 19.689 0.382 5.606 1.00 0.00 C ATOM 90 CH2 TRP A 591 20.289 0.720 6.823 1.00 0.00 C ATOM 0 H TRP A 591 22.337 -1.672 3.848 1.00 0.00 H new ATOM 0 HA TRP A 591 22.446 -4.228 2.461 1.00 0.00 H new ATOM 0 HB2 TRP A 591 19.958 -3.709 3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 591 21.209 -4.864 4.240 1.00 0.00 H new ATOM 0 HD1 TRP A 591 22.764 -4.286 6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 591 22.836 -2.384 8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 591 19.491 -1.075 4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 21.632 0.140 8.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 19.001 1.074 5.143 1.00 0.00 H new ATOM 0 HH2 TRP A 591 20.054 1.668 7.284 1.00 0.00 H new ATOM 101 N HIS A 592 20.162 -1.930 1.830 1.00 0.00 N ATOM 102 CA HIS A 592 19.050 -1.569 0.965 1.00 0.00 C ATOM 103 C HIS A 592 19.481 -0.617 -0.139 1.00 0.00 C ATOM 104 O HIS A 592 18.646 -0.143 -0.902 1.00 0.00 O ATOM 105 CB HIS A 592 17.906 -0.959 1.779 1.00 0.00 C ATOM 106 CG HIS A 592 17.147 -1.967 2.582 1.00 0.00 C ATOM 107 ND1 HIS A 592 17.185 -2.030 3.957 1.00 0.00 N ATOM 108 CD2 HIS A 592 16.321 -2.961 2.185 1.00 0.00 C ATOM 109 CE1 HIS A 592 16.421 -3.020 4.370 1.00 0.00 C ATOM 110 NE2 HIS A 592 15.880 -3.603 3.315 1.00 0.00 N ATOM 0 H HIS A 592 20.357 -1.251 2.565 1.00 0.00 H new ATOM 0 HA HIS A 592 18.695 -2.485 0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 592 18.311 -0.201 2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 592 17.218 -0.452 1.102 1.00 0.00 H new ATOM 0 HD1 HIS A 592 17.721 -1.407 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 592 16.057 -3.205 1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 592 16.263 -3.307 5.399 1.00 0.00 H new ATOM 0 HE2 HIS A 592 15.241 -4.398 3.337 1.00 0.00 H new ATOM 119 N GLU A 593 20.777 -0.328 -0.216 1.00 0.00 N ATOM 120 CA GLU A 593 21.285 0.694 -1.124 1.00 0.00 C ATOM 121 C GLU A 593 20.966 0.378 -2.587 1.00 0.00 C ATOM 122 O GLU A 593 20.874 1.286 -3.409 1.00 0.00 O ATOM 123 CB GLU A 593 22.790 0.882 -0.921 1.00 0.00 C ATOM 124 CG GLU A 593 23.626 -0.354 -1.216 1.00 0.00 C ATOM 125 CD GLU A 593 25.101 -0.132 -0.953 1.00 0.00 C ATOM 126 OE1 GLU A 593 25.446 0.410 0.113 1.00 0.00 O ATOM 127 OE2 GLU A 593 25.926 -0.522 -1.807 1.00 0.00 O ATOM 0 H GLU A 593 21.496 -0.789 0.342 1.00 0.00 H new ATOM 0 HA GLU A 593 20.777 1.628 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.131 1.697 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 593 22.969 1.189 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.272 -1.183 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 593 23.485 -0.644 -2.257 1.00 0.00 H new ATOM 134 N HIS A 594 20.793 -0.903 -2.923 1.00 0.00 N ATOM 135 CA HIS A 594 20.352 -1.288 -4.272 1.00 0.00 C ATOM 136 C HIS A 594 18.851 -1.026 -4.472 1.00 0.00 C ATOM 137 O HIS A 594 18.195 -1.667 -5.297 1.00 0.00 O ATOM 138 CB HIS A 594 20.688 -2.762 -4.566 1.00 0.00 C ATOM 139 CG HIS A 594 20.065 -3.759 -3.626 1.00 0.00 C ATOM 140 ND1 HIS A 594 20.742 -4.315 -2.564 1.00 0.00 N ATOM 141 CD2 HIS A 594 18.834 -4.324 -3.616 1.00 0.00 C ATOM 142 CE1 HIS A 594 19.958 -5.175 -1.944 1.00 0.00 C ATOM 143 NE2 HIS A 594 18.791 -5.204 -2.559 1.00 0.00 N ATOM 0 H HIS A 594 20.949 -1.686 -2.289 1.00 0.00 H new ATOM 0 HA HIS A 594 20.897 -0.664 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.369 -2.995 -5.582 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.771 -2.885 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS A 594 18.033 -4.121 -4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 594 20.227 -5.759 -1.076 1.00 0.00 H new ATOM 0 HE2 HIS A 594 17.992 -5.781 -2.296 1.00 0.00 H new ATOM 152 N VAL A 595 18.322 -0.100 -3.691 1.00 0.00 N ATOM 153 CA VAL A 595 16.956 0.374 -3.826 1.00 0.00 C ATOM 154 C VAL A 595 16.953 1.886 -3.657 1.00 0.00 C ATOM 155 O VAL A 595 17.593 2.405 -2.745 1.00 0.00 O ATOM 156 CB VAL A 595 16.024 -0.249 -2.757 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.647 0.411 -2.761 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.888 -1.752 -2.945 1.00 0.00 C ATOM 0 H VAL A 595 18.837 0.350 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 595 16.586 0.082 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 595 16.487 -0.066 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.020 -0.051 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.753 1.475 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.184 0.281 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.227 -2.156 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.470 -1.959 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.869 -2.219 -2.862 1.00 0.00 H new ATOM 168 N THR A 596 16.260 2.593 -4.530 1.00 0.00 N ATOM 169 CA THR A 596 16.161 4.036 -4.408 1.00 0.00 C ATOM 170 C THR A 596 14.923 4.415 -3.596 1.00 0.00 C ATOM 171 O THR A 596 13.967 3.640 -3.514 1.00 0.00 O ATOM 172 CB THR A 596 16.134 4.718 -5.797 1.00 0.00 C ATOM 173 OG1 THR A 596 15.898 6.127 -5.669 1.00 0.00 O ATOM 174 CG2 THR A 596 15.072 4.101 -6.693 1.00 0.00 C ATOM 0 H THR A 596 15.761 2.196 -5.326 1.00 0.00 H new ATOM 0 HA THR A 596 17.047 4.392 -3.883 1.00 0.00 H new ATOM 0 HB THR A 596 17.110 4.561 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.886 6.539 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.078 4.601 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.284 3.041 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.092 4.218 -6.230 1.00 0.00 H new ATOM 182 N GLN A 597 14.939 5.598 -2.995 1.00 0.00 N ATOM 183 CA GLN A 597 13.819 6.067 -2.191 1.00 0.00 C ATOM 184 C GLN A 597 12.588 6.235 -3.072 1.00 0.00 C ATOM 185 O GLN A 597 11.467 5.924 -2.663 1.00 0.00 O ATOM 186 CB GLN A 597 14.169 7.388 -1.499 1.00 0.00 C ATOM 187 CG GLN A 597 13.060 7.938 -0.611 1.00 0.00 C ATOM 188 CD GLN A 597 12.654 6.980 0.493 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.230 6.986 1.580 1.00 0.00 O ATOM 190 NE2 GLN A 597 11.652 6.158 0.224 1.00 0.00 N ATOM 0 H GLN A 597 15.719 6.252 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 597 13.604 5.328 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.065 7.243 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.413 8.130 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.390 8.877 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.189 8.165 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 597 11.201 6.185 -0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 597 11.331 5.497 0.931 1.00 0.00 H new ATOM 199 N ASP A 598 12.820 6.726 -4.285 1.00 0.00 N ATOM 200 CA ASP A 598 11.754 6.928 -5.261 1.00 0.00 C ATOM 201 C ASP A 598 10.992 5.629 -5.506 1.00 0.00 C ATOM 202 O ASP A 598 9.770 5.638 -5.651 1.00 0.00 O ATOM 203 CB ASP A 598 12.319 7.465 -6.578 1.00 0.00 C ATOM 204 CG ASP A 598 11.236 7.758 -7.597 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.623 8.843 -7.521 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.992 6.910 -8.478 1.00 0.00 O ATOM 0 H ASP A 598 13.746 6.994 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 598 11.062 7.665 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.885 8.376 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.017 6.738 -6.993 1.00 0.00 H new ATOM 211 N LEU A 599 11.721 4.515 -5.559 1.00 0.00 N ATOM 212 CA LEU A 599 11.109 3.207 -5.731 1.00 0.00 C ATOM 213 C LEU A 599 10.079 2.946 -4.639 1.00 0.00 C ATOM 214 O LEU A 599 8.937 2.587 -4.923 1.00 0.00 O ATOM 215 CB LEU A 599 12.180 2.104 -5.706 1.00 0.00 C ATOM 216 CG LEU A 599 11.708 0.750 -6.230 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.319 0.873 -7.689 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.784 -0.308 -6.048 1.00 0.00 C ATOM 0 H LEU A 599 12.738 4.497 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 599 10.607 3.195 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.034 2.431 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.532 1.980 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 599 10.835 0.438 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.983 -0.096 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.513 1.600 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.181 1.203 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.423 -1.263 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.680 -0.014 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.022 -0.406 -4.989 1.00 0.00 H new ATOM 230 N ARG A 600 10.484 3.162 -3.392 1.00 0.00 N ATOM 231 CA ARG A 600 9.613 2.906 -2.250 1.00 0.00 C ATOM 232 C ARG A 600 8.402 3.832 -2.249 1.00 0.00 C ATOM 233 O ARG A 600 7.277 3.388 -2.029 1.00 0.00 O ATOM 234 CB ARG A 600 10.381 3.041 -0.934 1.00 0.00 C ATOM 235 CG ARG A 600 11.454 1.980 -0.759 1.00 0.00 C ATOM 236 CD ARG A 600 11.832 1.797 0.702 1.00 0.00 C ATOM 237 NE ARG A 600 12.635 2.902 1.227 1.00 0.00 N ATOM 238 CZ ARG A 600 12.519 3.380 2.466 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.533 2.970 3.254 1.00 0.00 N ATOM 240 NH2 ARG A 600 13.369 4.296 2.903 1.00 0.00 N ATOM 0 H ARG A 600 11.409 3.514 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 600 9.254 1.881 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.843 4.027 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.679 2.980 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.098 1.033 -1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.339 2.259 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 600 10.924 1.700 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.388 0.866 0.814 1.00 0.00 H new ATOM 0 HE ARG A 600 13.323 3.331 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 600 10.858 2.285 2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.450 3.340 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 600 14.112 4.635 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 600 13.281 4.662 3.851 1.00 0.00 H new ATOM 254 N SER A 601 8.627 5.111 -2.519 1.00 0.00 N ATOM 255 CA SER A 601 7.546 6.083 -2.524 1.00 0.00 C ATOM 256 C SER A 601 6.555 5.765 -3.645 1.00 0.00 C ATOM 257 O SER A 601 5.338 5.895 -3.473 1.00 0.00 O ATOM 258 CB SER A 601 8.107 7.502 -2.655 1.00 0.00 C ATOM 259 OG SER A 601 9.031 7.592 -3.724 1.00 0.00 O ATOM 0 H SER A 601 9.546 5.497 -2.737 1.00 0.00 H new ATOM 0 HA SER A 601 7.009 6.025 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.290 8.205 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.595 7.790 -1.724 1.00 0.00 H new ATOM 0 HG SER A 601 9.046 6.744 -4.215 1.00 0.00 H new ATOM 265 N HIS A 602 7.091 5.348 -4.794 1.00 0.00 N ATOM 266 CA HIS A 602 6.265 4.919 -5.924 1.00 0.00 C ATOM 267 C HIS A 602 5.327 3.796 -5.498 1.00 0.00 C ATOM 268 O HIS A 602 4.128 3.837 -5.769 1.00 0.00 O ATOM 269 CB HIS A 602 7.134 4.442 -7.097 1.00 0.00 C ATOM 270 CG HIS A 602 6.369 4.251 -8.371 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.202 3.022 -8.975 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.731 5.145 -9.161 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.495 3.171 -10.080 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.195 4.447 -10.215 1.00 0.00 N ATOM 0 H HIS A 602 8.095 5.298 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 602 5.679 5.778 -6.251 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.931 5.167 -7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.612 3.501 -6.825 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.657 6.209 -8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.211 2.381 -10.759 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.653 4.851 -10.979 1.00 0.00 H new ATOM 283 N LEU A 603 5.890 2.807 -4.816 1.00 0.00 N ATOM 284 CA LEU A 603 5.131 1.651 -4.352 1.00 0.00 C ATOM 285 C LEU A 603 4.043 2.066 -3.371 1.00 0.00 C ATOM 286 O LEU A 603 2.934 1.533 -3.405 1.00 0.00 O ATOM 287 CB LEU A 603 6.063 0.624 -3.707 1.00 0.00 C ATOM 288 CG LEU A 603 7.223 0.166 -4.601 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.248 -0.619 -3.804 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.702 -0.669 -5.760 1.00 0.00 C ATOM 0 H LEU A 603 6.879 2.782 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 603 4.650 1.195 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.473 1.049 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.477 -0.249 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 603 7.712 1.054 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 603 9.059 -0.931 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.648 0.009 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.774 -1.499 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.537 -0.986 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.185 -1.547 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 603 6.010 -0.074 -6.355 1.00 0.00 H new ATOM 302 N VAL A 604 4.355 3.030 -2.512 1.00 0.00 N ATOM 303 CA VAL A 604 3.410 3.491 -1.503 1.00 0.00 C ATOM 304 C VAL A 604 2.193 4.133 -2.163 1.00 0.00 C ATOM 305 O VAL A 604 1.054 3.793 -1.849 1.00 0.00 O ATOM 306 CB VAL A 604 4.055 4.505 -0.530 1.00 0.00 C ATOM 307 CG1 VAL A 604 3.002 5.147 0.363 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.118 3.829 0.319 1.00 0.00 C ATOM 0 H VAL A 604 5.256 3.508 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 604 3.101 2.615 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 604 4.526 5.288 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.481 5.856 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.271 5.670 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.499 4.375 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.560 4.559 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.664 3.024 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.893 3.418 -0.328 1.00 0.00 H new ATOM 318 N HIS A 605 2.441 5.050 -3.093 1.00 0.00 N ATOM 319 CA HIS A 605 1.356 5.748 -3.781 1.00 0.00 C ATOM 320 C HIS A 605 0.552 4.772 -4.625 1.00 0.00 C ATOM 321 O HIS A 605 -0.670 4.854 -4.692 1.00 0.00 O ATOM 322 CB HIS A 605 1.888 6.881 -4.663 1.00 0.00 C ATOM 323 CG HIS A 605 2.628 7.940 -3.909 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.808 8.496 -4.354 1.00 0.00 N ATOM 325 CD2 HIS A 605 2.348 8.547 -2.732 1.00 0.00 C ATOM 326 CE1 HIS A 605 4.222 9.398 -3.483 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.353 9.447 -2.492 1.00 0.00 N ATOM 0 H HIS A 605 3.377 5.327 -3.388 1.00 0.00 H new ATOM 0 HA HIS A 605 0.710 6.185 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.549 6.459 -5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 605 1.052 7.341 -5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 605 1.493 8.357 -2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 605 5.119 9.994 -3.568 1.00 0.00 H new ATOM 0 HE2 HIS A 605 3.419 10.057 -1.677 1.00 0.00 H new ATOM 336 N LYS A 606 1.258 3.853 -5.270 1.00 0.00 N ATOM 337 CA LYS A 606 0.633 2.838 -6.103 1.00 0.00 C ATOM 338 C LYS A 606 -0.296 1.956 -5.266 1.00 0.00 C ATOM 339 O LYS A 606 -1.376 1.569 -5.714 1.00 0.00 O ATOM 340 CB LYS A 606 1.709 1.996 -6.792 1.00 0.00 C ATOM 341 CG LYS A 606 1.174 1.074 -7.871 1.00 0.00 C ATOM 342 CD LYS A 606 2.305 0.385 -8.615 1.00 0.00 C ATOM 343 CE LYS A 606 1.779 -0.542 -9.699 1.00 0.00 C ATOM 344 NZ LYS A 606 0.875 -1.586 -9.148 1.00 0.00 N ATOM 0 H LYS A 606 2.275 3.791 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 606 0.032 3.328 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.450 2.662 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 606 2.225 1.398 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 606 0.521 0.325 -7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 606 0.568 1.646 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 606 2.957 1.135 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.911 -0.185 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 606 1.244 0.042 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 606 2.617 -1.019 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 0.715 -2.321 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 1.311 -2.014 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -0.034 -1.155 -8.885 1.00 0.00 H new ATOM 358 N LEU A 607 0.140 1.635 -4.055 1.00 0.00 N ATOM 359 CA LEU A 607 -0.675 0.866 -3.123 1.00 0.00 C ATOM 360 C LEU A 607 -1.929 1.663 -2.751 1.00 0.00 C ATOM 361 O LEU A 607 -3.035 1.122 -2.729 1.00 0.00 O ATOM 362 CB LEU A 607 0.156 0.512 -1.880 1.00 0.00 C ATOM 363 CG LEU A 607 -0.421 -0.579 -0.969 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.684 -1.192 -0.127 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.504 -0.022 -0.061 1.00 0.00 C ATOM 0 H LEU A 607 1.057 1.896 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 607 -0.995 -0.064 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 607 1.146 0.196 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.290 1.417 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.865 -1.346 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.265 -1.965 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.437 -1.632 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 607 1.144 -0.419 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -1.893 -0.819 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.085 0.766 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.312 0.387 -0.667 1.00 0.00 H new ATOM 377 N VAL A 608 -1.747 2.950 -2.460 1.00 0.00 N ATOM 378 CA VAL A 608 -2.866 3.863 -2.230 1.00 0.00 C ATOM 379 C VAL A 608 -3.821 3.863 -3.425 1.00 0.00 C ATOM 380 O VAL A 608 -5.039 3.784 -3.264 1.00 0.00 O ATOM 381 CB VAL A 608 -2.360 5.303 -1.983 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.516 6.283 -1.843 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.474 5.350 -0.749 1.00 0.00 C ATOM 0 H VAL A 608 -0.829 3.386 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.398 3.514 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.772 5.602 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.124 7.285 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.110 6.278 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.143 5.988 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.126 6.371 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.043 5.020 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.616 4.693 -0.892 1.00 0.00 H new ATOM 393 N GLN A 609 -3.243 3.945 -4.619 1.00 0.00 N ATOM 394 CA GLN A 609 -3.997 3.912 -5.869 1.00 0.00 C ATOM 395 C GLN A 609 -4.863 2.657 -5.959 1.00 0.00 C ATOM 396 O GLN A 609 -5.993 2.699 -6.443 1.00 0.00 O ATOM 397 CB GLN A 609 -3.029 3.966 -7.053 1.00 0.00 C ATOM 398 CG GLN A 609 -3.701 3.869 -8.411 1.00 0.00 C ATOM 399 CD GLN A 609 -2.697 3.844 -9.545 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.238 2.779 -9.963 1.00 0.00 O ATOM 401 NE2 GLN A 609 -2.349 5.016 -10.051 1.00 0.00 N ATOM 0 H GLN A 609 -2.235 4.037 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.657 4.779 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.465 4.898 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.310 3.153 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.312 2.967 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.374 4.716 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -2.753 5.874 -9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -1.677 5.062 -10.817 1.00 0.00 H new ATOM 410 N ALA A 610 -4.314 1.536 -5.513 1.00 0.00 N ATOM 411 CA ALA A 610 -5.041 0.274 -5.500 1.00 0.00 C ATOM 412 C ALA A 610 -6.291 0.358 -4.628 1.00 0.00 C ATOM 413 O ALA A 610 -7.346 -0.165 -4.993 1.00 0.00 O ATOM 414 CB ALA A 610 -4.140 -0.849 -5.018 1.00 0.00 C ATOM 0 H ALA A 610 -3.362 1.475 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.359 0.063 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.697 -1.786 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.283 -0.940 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -3.792 -0.629 -4.009 1.00 0.00 H new ATOM 420 N ILE A 611 -6.169 1.020 -3.481 1.00 0.00 N ATOM 421 CA ILE A 611 -7.279 1.117 -2.535 1.00 0.00 C ATOM 422 C ILE A 611 -8.291 2.168 -3.001 1.00 0.00 C ATOM 423 O ILE A 611 -9.484 2.063 -2.711 1.00 0.00 O ATOM 424 CB ILE A 611 -6.783 1.476 -1.079 1.00 0.00 C ATOM 425 CG1 ILE A 611 -5.762 0.448 -0.534 1.00 0.00 C ATOM 426 CG2 ILE A 611 -7.944 1.624 -0.089 1.00 0.00 C ATOM 427 CD1 ILE A 611 -4.880 1.010 0.561 1.00 0.00 C ATOM 0 H ILE A 611 -5.317 1.496 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 611 -7.756 0.138 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.283 2.440 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.299 -0.420 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.135 0.098 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.552 1.871 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.609 2.420 -0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.498 0.687 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.187 0.241 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.318 1.860 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.500 1.334 1.397 1.00 0.00 H new ATOM 439 N PHE A 612 -7.824 3.162 -3.747 1.00 0.00 N ATOM 440 CA PHE A 612 -8.682 4.258 -4.165 1.00 0.00 C ATOM 441 C PHE A 612 -8.249 4.788 -5.529 1.00 0.00 C ATOM 442 O PHE A 612 -7.424 5.698 -5.612 1.00 0.00 O ATOM 443 CB PHE A 612 -8.623 5.380 -3.126 1.00 0.00 C ATOM 444 CG PHE A 612 -9.816 6.290 -3.137 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.099 5.775 -3.196 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.654 7.660 -3.074 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.197 6.610 -3.190 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.748 8.501 -3.066 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.021 7.976 -3.124 1.00 0.00 C ATOM 0 H PHE A 612 -6.860 3.230 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.705 3.892 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.526 4.937 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.725 5.974 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.243 4.706 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.659 8.078 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.193 6.195 -3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.607 9.570 -3.014 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.878 8.633 -3.118 1.00 0.00 H new ATOM 459 N PRO A 613 -8.795 4.231 -6.624 1.00 0.00 N ATOM 460 CA PRO A 613 -8.378 4.618 -7.976 1.00 0.00 C ATOM 461 C PRO A 613 -8.973 5.957 -8.414 1.00 0.00 C ATOM 462 O PRO A 613 -8.314 6.733 -9.108 1.00 0.00 O ATOM 463 CB PRO A 613 -8.903 3.472 -8.854 1.00 0.00 C ATOM 464 CG PRO A 613 -10.059 2.888 -8.099 1.00 0.00 C ATOM 465 CD PRO A 613 -9.844 3.182 -6.629 1.00 0.00 C ATOM 0 HA PRO A 613 -7.300 4.761 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -9.217 3.838 -9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.129 2.724 -9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.998 3.321 -8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.123 1.813 -8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.760 3.531 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.522 2.293 -6.087 1.00 0.00 H new ATOM 473 N THR A 614 -10.216 6.218 -8.022 1.00 0.00 N ATOM 474 CA THR A 614 -10.907 7.442 -8.416 1.00 0.00 C ATOM 475 C THR A 614 -10.242 8.695 -7.837 1.00 0.00 C ATOM 476 O THR A 614 -10.012 8.788 -6.627 1.00 0.00 O ATOM 477 CB THR A 614 -12.392 7.401 -7.989 1.00 0.00 C ATOM 478 OG1 THR A 614 -12.496 7.088 -6.594 1.00 0.00 O ATOM 479 CG2 THR A 614 -13.163 6.368 -8.802 1.00 0.00 C ATOM 0 H THR A 614 -10.767 5.597 -7.430 1.00 0.00 H new ATOM 0 HA THR A 614 -10.844 7.498 -9.503 1.00 0.00 H new ATOM 0 HB THR A 614 -12.824 8.384 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 614 -12.992 7.798 -6.136 1.00 0.00 H new ATOM 0 HG21 THR A 614 -14.205 6.358 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 614 -13.110 6.624 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.726 5.382 -8.645 1.00 0.00 H new ATOM 487 N PRO A 615 -9.895 9.670 -8.699 1.00 0.00 N ATOM 488 CA PRO A 615 -9.368 10.966 -8.267 1.00 0.00 C ATOM 489 C PRO A 615 -10.491 11.912 -7.852 1.00 0.00 C ATOM 490 O PRO A 615 -10.863 12.819 -8.597 1.00 0.00 O ATOM 491 CB PRO A 615 -8.649 11.508 -9.519 1.00 0.00 C ATOM 492 CG PRO A 615 -8.764 10.424 -10.561 1.00 0.00 C ATOM 493 CD PRO A 615 -9.960 9.600 -10.165 1.00 0.00 C ATOM 0 HA PRO A 615 -8.714 10.876 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -9.110 12.433 -9.865 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -7.605 11.734 -9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -8.895 10.850 -11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -7.861 9.814 -10.592 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -10.890 10.014 -10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -9.890 8.575 -10.530 1.00 0.00 H new ATOM 501 N ASP A 616 -11.041 11.681 -6.669 1.00 0.00 N ATOM 502 CA ASP A 616 -12.133 12.513 -6.149 1.00 0.00 C ATOM 503 C ASP A 616 -11.561 13.736 -5.432 1.00 0.00 C ATOM 504 O ASP A 616 -10.903 13.599 -4.398 1.00 0.00 O ATOM 505 CB ASP A 616 -13.031 11.705 -5.182 1.00 0.00 C ATOM 506 CG ASP A 616 -13.832 10.631 -5.890 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.844 10.969 -6.543 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.466 9.443 -5.787 1.00 0.00 O ATOM 0 H ASP A 616 -10.754 10.926 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 616 -12.744 12.841 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.409 11.243 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -13.713 12.385 -4.672 1.00 0.00 H new ATOM 513 N PRO A 617 -11.795 14.955 -5.982 1.00 0.00 N ATOM 514 CA PRO A 617 -11.243 16.204 -5.433 1.00 0.00 C ATOM 515 C PRO A 617 -11.566 16.408 -3.955 1.00 0.00 C ATOM 516 O PRO A 617 -10.773 16.996 -3.218 1.00 0.00 O ATOM 517 CB PRO A 617 -11.906 17.313 -6.274 1.00 0.00 C ATOM 518 CG PRO A 617 -13.027 16.646 -6.994 1.00 0.00 C ATOM 519 CD PRO A 617 -12.594 15.224 -7.195 1.00 0.00 C ATOM 0 HA PRO A 617 -10.154 16.199 -5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -12.271 18.121 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -11.196 17.753 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -13.949 16.696 -6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -13.224 17.134 -7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -13.446 14.549 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -12.004 15.105 -8.104 1.00 0.00 H new ATOM 527 N ALA A 618 -12.730 15.938 -3.521 1.00 0.00 N ATOM 528 CA ALA A 618 -13.112 16.055 -2.122 1.00 0.00 C ATOM 529 C ALA A 618 -12.278 15.116 -1.261 1.00 0.00 C ATOM 530 O ALA A 618 -11.699 15.529 -0.257 1.00 0.00 O ATOM 531 CB ALA A 618 -14.595 15.762 -1.944 1.00 0.00 C ATOM 0 H ALA A 618 -13.420 15.476 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 618 -12.923 17.079 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -14.860 15.855 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -15.179 16.472 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -14.809 14.749 -2.284 1.00 0.00 H new ATOM 537 N ALA A 619 -12.229 13.852 -1.665 1.00 0.00 N ATOM 538 CA ALA A 619 -11.452 12.835 -0.964 1.00 0.00 C ATOM 539 C ALA A 619 -9.971 13.195 -0.900 1.00 0.00 C ATOM 540 O ALA A 619 -9.289 12.865 0.069 1.00 0.00 O ATOM 541 CB ALA A 619 -11.633 11.486 -1.638 1.00 0.00 C ATOM 0 H ALA A 619 -12.725 13.503 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.822 12.783 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.049 10.733 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.687 11.208 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.293 11.547 -2.672 1.00 0.00 H new ATOM 547 N LEU A 620 -9.485 13.877 -1.930 1.00 0.00 N ATOM 548 CA LEU A 620 -8.089 14.297 -1.985 1.00 0.00 C ATOM 549 C LEU A 620 -7.756 15.182 -0.785 1.00 0.00 C ATOM 550 O LEU A 620 -6.663 15.108 -0.223 1.00 0.00 O ATOM 551 CB LEU A 620 -7.812 15.054 -3.291 1.00 0.00 C ATOM 552 CG LEU A 620 -6.600 14.571 -4.102 1.00 0.00 C ATOM 553 CD1 LEU A 620 -5.316 14.684 -3.294 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.810 13.142 -4.574 1.00 0.00 C ATOM 0 H LEU A 620 -10.039 14.152 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.457 13.409 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -8.698 14.986 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -7.669 16.108 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 620 -6.503 15.215 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -4.476 14.335 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -5.153 15.725 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -5.397 14.074 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.942 12.817 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.941 12.489 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -7.699 13.094 -5.203 1.00 0.00 H new ATOM 566 N LYS A 621 -8.716 16.007 -0.386 1.00 0.00 N ATOM 567 CA LYS A 621 -8.532 16.912 0.741 1.00 0.00 C ATOM 568 C LYS A 621 -9.249 16.387 1.989 1.00 0.00 C ATOM 569 O LYS A 621 -9.478 17.129 2.947 1.00 0.00 O ATOM 570 CB LYS A 621 -9.058 18.307 0.380 1.00 0.00 C ATOM 571 CG LYS A 621 -8.448 18.882 -0.891 1.00 0.00 C ATOM 572 CD LYS A 621 -6.958 19.135 -0.742 1.00 0.00 C ATOM 573 CE LYS A 621 -6.350 19.670 -2.029 1.00 0.00 C ATOM 574 NZ LYS A 621 -6.963 20.959 -2.451 1.00 0.00 N ATOM 0 H LYS A 621 -9.633 16.068 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.466 16.974 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -10.141 18.258 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -8.857 18.987 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -8.618 18.193 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -8.951 19.815 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.788 19.848 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.457 18.209 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -5.278 19.808 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -6.477 18.933 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -6.409 21.368 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -7.938 20.791 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -6.971 21.619 -1.647 1.00 0.00 H new ATOM 588 N ASP A 622 -9.607 15.109 1.972 1.00 0.00 N ATOM 589 CA ASP A 622 -10.309 14.492 3.095 1.00 0.00 C ATOM 590 C ASP A 622 -9.323 13.710 3.966 1.00 0.00 C ATOM 591 O ASP A 622 -8.510 12.930 3.460 1.00 0.00 O ATOM 592 CB ASP A 622 -11.429 13.561 2.584 1.00 0.00 C ATOM 593 CG ASP A 622 -12.340 13.030 3.683 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.885 12.842 4.826 1.00 0.00 O ATOM 595 OD2 ASP A 622 -13.534 12.806 3.397 1.00 0.00 O ATOM 0 H ASP A 622 -9.423 14.477 1.193 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.763 15.278 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -12.033 14.101 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.977 12.718 2.061 1.00 0.00 H new ATOM 600 N ARG A 623 -9.411 13.940 5.278 1.00 0.00 N ATOM 601 CA ARG A 623 -8.588 13.251 6.264 1.00 0.00 C ATOM 602 C ARG A 623 -8.707 11.732 6.146 1.00 0.00 C ATOM 603 O ARG A 623 -7.743 11.019 6.414 1.00 0.00 O ATOM 604 CB ARG A 623 -8.949 13.702 7.682 1.00 0.00 C ATOM 605 CG ARG A 623 -8.572 15.147 7.985 1.00 0.00 C ATOM 606 CD ARG A 623 -7.072 15.378 7.870 1.00 0.00 C ATOM 607 NE ARG A 623 -6.715 16.769 8.141 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.487 17.271 7.998 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.488 16.496 7.592 1.00 0.00 N ATOM 610 NH2 ARG A 623 -5.259 18.549 8.261 1.00 0.00 N ATOM 0 H ARG A 623 -10.060 14.614 5.684 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.551 13.519 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -10.022 13.578 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.451 13.049 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -9.095 15.811 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.903 15.405 8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.549 14.726 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.738 15.105 6.869 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.453 17.397 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.657 15.511 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.551 16.886 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -6.022 19.150 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.320 18.933 8.152 1.00 0.00 H new ATOM 624 N ARG A 624 -9.895 11.238 5.794 1.00 0.00 N ATOM 625 CA ARG A 624 -10.109 9.785 5.659 1.00 0.00 C ATOM 626 C ARG A 624 -9.067 9.164 4.723 1.00 0.00 C ATOM 627 O ARG A 624 -8.580 8.061 4.975 1.00 0.00 O ATOM 628 CB ARG A 624 -11.534 9.426 5.167 1.00 0.00 C ATOM 629 CG ARG A 624 -11.750 9.521 3.657 1.00 0.00 C ATOM 630 CD ARG A 624 -12.987 8.736 3.202 1.00 0.00 C ATOM 631 NE ARG A 624 -13.338 9.034 1.813 1.00 0.00 N ATOM 632 CZ ARG A 624 -13.865 8.150 0.964 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.106 6.905 1.353 1.00 0.00 N ATOM 634 NH2 ARG A 624 -14.158 8.519 -0.274 1.00 0.00 N ATOM 0 H ARG A 624 -10.717 11.809 5.598 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.996 9.369 6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.765 8.410 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -12.247 10.086 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.860 10.567 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -10.869 9.140 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.799 7.668 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.830 8.978 3.850 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.169 9.980 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.888 6.618 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.509 6.235 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.981 9.477 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.561 7.845 -0.925 1.00 0.00 H new ATOM 648 N MET A 625 -8.717 9.876 3.649 1.00 0.00 N ATOM 649 CA MET A 625 -7.712 9.389 2.712 1.00 0.00 C ATOM 650 C MET A 625 -6.361 9.225 3.405 1.00 0.00 C ATOM 651 O MET A 625 -5.644 8.258 3.158 1.00 0.00 O ATOM 652 CB MET A 625 -7.596 10.304 1.480 1.00 0.00 C ATOM 653 CG MET A 625 -6.362 10.019 0.626 1.00 0.00 C ATOM 654 SD MET A 625 -6.332 10.967 -0.909 1.00 0.00 S ATOM 655 CE MET A 625 -7.676 10.191 -1.803 1.00 0.00 C ATOM 0 H MET A 625 -9.114 10.785 3.411 1.00 0.00 H new ATOM 0 HA MET A 625 -8.035 8.410 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.489 10.188 0.865 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.569 11.343 1.809 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.466 10.246 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.328 8.955 0.390 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.387 10.051 -2.845 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.900 9.223 -1.355 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.560 10.826 -1.754 1.00 0.00 H new ATOM 665 N GLU A 626 -6.045 10.157 4.300 1.00 0.00 N ATOM 666 CA GLU A 626 -4.768 10.167 5.002 1.00 0.00 C ATOM 667 C GLU A 626 -4.571 8.859 5.769 1.00 0.00 C ATOM 668 O GLU A 626 -3.467 8.312 5.813 1.00 0.00 O ATOM 669 CB GLU A 626 -4.732 11.355 5.969 1.00 0.00 C ATOM 670 CG GLU A 626 -3.349 11.702 6.490 1.00 0.00 C ATOM 671 CD GLU A 626 -2.450 12.264 5.411 1.00 0.00 C ATOM 672 OE1 GLU A 626 -2.705 13.397 4.953 1.00 0.00 O ATOM 673 OE2 GLU A 626 -1.478 11.583 5.024 1.00 0.00 O ATOM 0 H GLU A 626 -6.666 10.924 4.558 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.961 10.264 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.147 12.229 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.381 11.137 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -3.440 12.428 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -2.889 10.809 6.914 1.00 0.00 H new ATOM 680 N ASN A 627 -5.656 8.367 6.365 1.00 0.00 N ATOM 681 CA ASN A 627 -5.625 7.129 7.143 1.00 0.00 C ATOM 682 C ASN A 627 -5.228 5.943 6.271 1.00 0.00 C ATOM 683 O ASN A 627 -4.354 5.157 6.640 1.00 0.00 O ATOM 684 CB ASN A 627 -6.993 6.849 7.783 1.00 0.00 C ATOM 685 CG ASN A 627 -7.318 7.766 8.955 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.746 8.958 8.968 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -8.080 7.399 9.847 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.574 8.810 6.323 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.880 7.259 7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.768 6.955 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -7.020 5.814 8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -8.504 6.472 9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -8.288 8.021 10.628 1.00 0.00 H new ATOM 694 N LEU A 628 -5.873 5.817 5.118 1.00 0.00 N ATOM 695 CA LEU A 628 -5.593 4.706 4.210 1.00 0.00 C ATOM 696 C LEU A 628 -4.169 4.822 3.658 1.00 0.00 C ATOM 697 O LEU A 628 -3.486 3.813 3.482 1.00 0.00 O ATOM 698 CB LEU A 628 -6.670 4.593 3.092 1.00 0.00 C ATOM 699 CG LEU A 628 -6.504 5.467 1.839 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.608 4.787 0.813 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.868 5.759 1.230 1.00 0.00 C ATOM 0 H LEU A 628 -6.589 6.464 4.789 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.650 3.772 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.709 3.552 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.638 4.826 3.536 1.00 0.00 H new ATOM 0 HG LEU A 628 -6.031 6.404 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.508 5.427 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.624 4.611 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -6.050 3.835 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.745 6.379 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.351 4.822 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.486 6.286 1.957 1.00 0.00 H new ATOM 713 N VAL A 629 -3.719 6.052 3.397 1.00 0.00 N ATOM 714 CA VAL A 629 -2.351 6.278 2.934 1.00 0.00 C ATOM 715 C VAL A 629 -1.355 5.846 4.010 1.00 0.00 C ATOM 716 O VAL A 629 -0.319 5.245 3.714 1.00 0.00 O ATOM 717 CB VAL A 629 -2.097 7.762 2.579 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.659 7.972 2.122 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.064 8.238 1.509 1.00 0.00 C ATOM 0 H VAL A 629 -4.278 6.899 3.498 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.214 5.682 2.031 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.263 8.353 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.505 9.023 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.023 7.681 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.465 7.362 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.864 9.284 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.936 7.636 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.087 8.135 1.871 1.00 0.00 H new ATOM 729 N ALA A 630 -1.685 6.158 5.260 1.00 0.00 N ATOM 730 CA ALA A 630 -0.864 5.772 6.401 1.00 0.00 C ATOM 731 C ALA A 630 -0.685 4.257 6.467 1.00 0.00 C ATOM 732 O ALA A 630 0.393 3.772 6.812 1.00 0.00 O ATOM 733 CB ALA A 630 -1.455 6.314 7.698 1.00 0.00 C ATOM 0 H ALA A 630 -2.524 6.682 5.509 1.00 0.00 H new ATOM 0 HA ALA A 630 0.124 6.213 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.827 6.015 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.502 7.402 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.459 5.913 7.835 1.00 0.00 H new ATOM 739 N TYR A 631 -1.742 3.507 6.151 1.00 0.00 N ATOM 740 CA TYR A 631 -1.652 2.048 6.130 1.00 0.00 C ATOM 741 C TYR A 631 -0.603 1.588 5.116 1.00 0.00 C ATOM 742 O TYR A 631 0.142 0.640 5.372 1.00 0.00 O ATOM 743 CB TYR A 631 -3.003 1.387 5.821 1.00 0.00 C ATOM 744 CG TYR A 631 -2.983 -0.111 6.034 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.563 -0.644 7.247 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.378 -0.994 5.034 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.531 -2.006 7.458 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.352 -2.357 5.241 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.927 -2.859 6.454 1.00 0.00 C ATOM 750 OH TYR A 631 -2.895 -4.219 6.661 1.00 0.00 O ATOM 0 H TYR A 631 -2.660 3.881 5.909 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.351 1.734 7.130 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.772 1.829 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.279 1.599 4.788 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.256 0.022 8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.710 -0.606 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.197 -2.401 8.406 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.663 -3.030 4.456 1.00 0.00 H new ATOM 0 HH TYR A 631 -3.346 -4.432 7.505 1.00 0.00 H new ATOM 760 N ALA A 632 -0.544 2.261 3.966 1.00 0.00 N ATOM 761 CA ALA A 632 0.444 1.935 2.940 1.00 0.00 C ATOM 762 C ALA A 632 1.856 2.119 3.486 1.00 0.00 C ATOM 763 O ALA A 632 2.738 1.294 3.250 1.00 0.00 O ATOM 764 CB ALA A 632 0.236 2.795 1.700 1.00 0.00 C ATOM 0 H ALA A 632 -1.166 3.032 3.723 1.00 0.00 H new ATOM 0 HA ALA A 632 0.314 0.890 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.982 2.536 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.761 2.618 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.338 3.847 1.966 1.00 0.00 H new ATOM 770 N LYS A 633 2.058 3.213 4.216 1.00 0.00 N ATOM 771 CA LYS A 633 3.306 3.470 4.922 1.00 0.00 C ATOM 772 C LYS A 633 3.686 2.319 5.844 1.00 0.00 C ATOM 773 O LYS A 633 4.826 1.852 5.843 1.00 0.00 O ATOM 774 CB LYS A 633 3.136 4.721 5.770 1.00 0.00 C ATOM 775 CG LYS A 633 2.897 6.000 4.980 1.00 0.00 C ATOM 776 CD LYS A 633 3.851 6.132 3.809 1.00 0.00 C ATOM 777 CE LYS A 633 3.707 7.483 3.127 1.00 0.00 C ATOM 778 NZ LYS A 633 4.036 8.607 4.043 1.00 0.00 N ATOM 0 H LYS A 633 1.359 3.946 4.334 1.00 0.00 H new ATOM 0 HA LYS A 633 4.094 3.590 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.299 4.570 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.027 4.851 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 633 1.870 6.013 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.012 6.860 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.876 6.006 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.658 5.337 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.362 7.521 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.686 7.599 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 4.697 9.257 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.165 9.119 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.476 8.233 4.908 1.00 0.00 H new ATOM 792 N LYS A 634 2.729 1.895 6.650 1.00 0.00 N ATOM 793 CA LYS A 634 2.918 0.754 7.545 1.00 0.00 C ATOM 794 C LYS A 634 3.362 -0.474 6.753 1.00 0.00 C ATOM 795 O LYS A 634 4.308 -1.168 7.137 1.00 0.00 O ATOM 796 CB LYS A 634 1.617 0.433 8.289 1.00 0.00 C ATOM 797 CG LYS A 634 1.055 1.596 9.090 1.00 0.00 C ATOM 798 CD LYS A 634 1.982 2.004 10.220 1.00 0.00 C ATOM 799 CE LYS A 634 1.392 3.148 11.026 1.00 0.00 C ATOM 800 NZ LYS A 634 2.254 3.532 12.172 1.00 0.00 N ATOM 0 H LYS A 634 1.805 2.323 6.707 1.00 0.00 H new ATOM 0 HA LYS A 634 3.689 1.016 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 634 0.868 0.109 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.794 -0.406 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 634 0.892 2.447 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 634 0.083 1.319 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 634 2.162 1.150 10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 634 2.948 2.303 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 634 1.249 4.011 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 634 0.408 2.860 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 1.811 4.316 12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 2.370 2.717 12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.185 3.833 11.820 1.00 0.00 H new ATOM 814 N VAL A 635 2.658 -0.744 5.658 1.00 0.00 N ATOM 815 CA VAL A 635 3.013 -1.841 4.761 1.00 0.00 C ATOM 816 C VAL A 635 4.455 -1.719 4.263 1.00 0.00 C ATOM 817 O VAL A 635 5.230 -2.665 4.386 1.00 0.00 O ATOM 818 CB VAL A 635 2.047 -1.926 3.555 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.649 -2.748 2.423 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.720 -2.540 3.979 1.00 0.00 C ATOM 0 H VAL A 635 1.835 -0.216 5.369 1.00 0.00 H new ATOM 0 HA VAL A 635 2.924 -2.759 5.342 1.00 0.00 H new ATOM 0 HB VAL A 635 1.878 -0.911 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.947 -2.789 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.578 -2.285 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.853 -3.759 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.052 -2.593 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 635 0.891 -3.544 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.265 -1.924 4.755 1.00 0.00 H new ATOM 830 N GLU A 636 4.821 -0.551 3.734 1.00 0.00 N ATOM 831 CA GLU A 636 6.171 -0.357 3.193 1.00 0.00 C ATOM 832 C GLU A 636 7.221 -0.575 4.281 1.00 0.00 C ATOM 833 O GLU A 636 8.266 -1.172 4.026 1.00 0.00 O ATOM 834 CB GLU A 636 6.322 1.021 2.501 1.00 0.00 C ATOM 835 CG GLU A 636 6.729 2.201 3.390 1.00 0.00 C ATOM 836 CD GLU A 636 8.233 2.335 3.567 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.969 2.273 2.560 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.682 2.538 4.717 1.00 0.00 O ATOM 0 H GLU A 636 4.213 0.266 3.668 1.00 0.00 H new ATOM 0 HA GLU A 636 6.336 -1.107 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.062 0.923 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.373 1.267 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.338 3.123 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 636 6.265 2.085 4.369 1.00 0.00 H new ATOM 845 N GLY A 637 6.929 -0.107 5.491 1.00 0.00 N ATOM 846 CA GLY A 637 7.833 -0.319 6.612 1.00 0.00 C ATOM 847 C GLY A 637 8.029 -1.789 6.933 1.00 0.00 C ATOM 848 O GLY A 637 9.154 -2.233 7.162 1.00 0.00 O ATOM 0 H GLY A 637 6.083 0.416 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.799 0.132 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.442 0.192 7.492 1.00 0.00 H new ATOM 852 N ASP A 638 6.935 -2.544 6.968 1.00 0.00 N ATOM 853 CA ASP A 638 6.997 -3.985 7.221 1.00 0.00 C ATOM 854 C ASP A 638 7.747 -4.702 6.103 1.00 0.00 C ATOM 855 O ASP A 638 8.606 -5.548 6.355 1.00 0.00 O ATOM 856 CB ASP A 638 5.585 -4.563 7.357 1.00 0.00 C ATOM 857 CG ASP A 638 5.586 -6.050 7.660 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.647 -6.863 6.714 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.515 -6.409 8.856 1.00 0.00 O ATOM 0 H ASP A 638 5.992 -2.183 6.824 1.00 0.00 H new ATOM 0 HA ASP A 638 7.537 -4.141 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.056 -4.035 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.034 -4.385 6.434 1.00 0.00 H new ATOM 864 N MET A 639 7.425 -4.339 4.867 1.00 0.00 N ATOM 865 CA MET A 639 8.052 -4.944 3.689 1.00 0.00 C ATOM 866 C MET A 639 9.537 -4.633 3.658 1.00 0.00 C ATOM 867 O MET A 639 10.336 -5.459 3.241 1.00 0.00 O ATOM 868 CB MET A 639 7.402 -4.461 2.377 1.00 0.00 C ATOM 869 CG MET A 639 5.892 -4.674 2.310 1.00 0.00 C ATOM 870 SD MET A 639 5.430 -6.401 2.509 1.00 0.00 S ATOM 871 CE MET A 639 3.659 -6.291 2.284 1.00 0.00 C ATOM 0 H MET A 639 6.730 -3.625 4.650 1.00 0.00 H new ATOM 0 HA MET A 639 7.903 -6.021 3.767 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.614 -3.399 2.249 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.868 -4.982 1.541 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.410 -4.081 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.519 -4.310 1.353 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.261 -7.276 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.197 -5.929 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.438 -5.600 1.471 1.00 0.00 H new ATOM 881 N TYR A 640 9.881 -3.431 4.100 1.00 0.00 N ATOM 882 CA TYR A 640 11.251 -2.910 4.007 1.00 0.00 C ATOM 883 C TYR A 640 12.290 -3.911 4.541 1.00 0.00 C ATOM 884 O TYR A 640 13.366 -4.040 3.960 1.00 0.00 O ATOM 885 CB TYR A 640 11.368 -1.560 4.744 1.00 0.00 C ATOM 886 CG TYR A 640 12.606 -0.756 4.392 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.083 -0.710 3.085 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.293 -0.035 5.362 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.204 0.025 2.762 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.414 0.705 5.042 1.00 0.00 C ATOM 891 CZ TYR A 640 14.866 0.730 3.742 1.00 0.00 C ATOM 892 OH TYR A 640 15.985 1.464 3.420 1.00 0.00 O ATOM 0 H TYR A 640 9.223 -2.784 4.534 1.00 0.00 H new ATOM 0 HA TYR A 640 11.467 -2.755 2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.485 -0.961 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.364 -1.745 5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.567 -1.259 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 640 12.944 -0.054 6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.562 0.048 1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 640 14.934 1.261 5.808 1.00 0.00 H new ATOM 0 HH TYR A 640 16.332 1.902 4.225 1.00 0.00 H new ATOM 902 N GLU A 641 11.978 -4.634 5.617 1.00 0.00 N ATOM 903 CA GLU A 641 12.923 -5.638 6.138 1.00 0.00 C ATOM 904 C GLU A 641 13.098 -6.791 5.144 1.00 0.00 C ATOM 905 O GLU A 641 14.219 -7.159 4.788 1.00 0.00 O ATOM 906 CB GLU A 641 12.490 -6.190 7.504 1.00 0.00 C ATOM 907 CG GLU A 641 13.045 -5.384 8.698 1.00 0.00 C ATOM 908 CD GLU A 641 12.408 -4.020 8.828 1.00 0.00 C ATOM 909 OE1 GLU A 641 11.386 -3.903 9.534 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.936 -3.053 8.244 1.00 0.00 O ATOM 0 H GLU A 641 11.104 -4.552 6.137 1.00 0.00 H new ATOM 0 HA GLU A 641 13.878 -5.130 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.401 -6.197 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.820 -7.225 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.881 -5.946 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 641 14.123 -5.268 8.583 1.00 0.00 H new ATOM 917 N SER A 642 11.976 -7.340 4.698 1.00 0.00 N ATOM 918 CA SER A 642 11.954 -8.438 3.734 1.00 0.00 C ATOM 919 C SER A 642 12.534 -8.002 2.383 1.00 0.00 C ATOM 920 O SER A 642 13.174 -8.790 1.683 1.00 0.00 O ATOM 921 CB SER A 642 10.520 -8.933 3.562 1.00 0.00 C ATOM 922 OG SER A 642 9.902 -9.143 4.822 1.00 0.00 O ATOM 0 H SER A 642 11.049 -7.036 4.995 1.00 0.00 H new ATOM 0 HA SER A 642 12.576 -9.248 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.946 -8.205 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.518 -9.862 2.992 1.00 0.00 H new ATOM 0 HG SER A 642 8.984 -9.458 4.688 1.00 0.00 H new ATOM 928 N ALA A 643 12.242 -6.752 2.022 1.00 0.00 N ATOM 929 CA ALA A 643 12.699 -6.081 0.791 1.00 0.00 C ATOM 930 C ALA A 643 14.219 -6.090 0.563 1.00 0.00 C ATOM 931 O ALA A 643 14.738 -5.246 -0.168 1.00 0.00 O ATOM 932 CB ALA A 643 12.202 -4.648 0.783 1.00 0.00 C ATOM 0 H ALA A 643 11.656 -6.149 2.599 1.00 0.00 H new ATOM 0 HA ALA A 643 12.277 -6.663 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.539 -4.151 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.113 -4.641 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.597 -4.121 1.652 1.00 0.00 H new ATOM 938 N ASN A 644 14.934 -7.008 1.188 1.00 0.00 N ATOM 939 CA ASN A 644 16.380 -7.083 1.028 1.00 0.00 C ATOM 940 C ASN A 644 16.720 -7.569 -0.388 1.00 0.00 C ATOM 941 O ASN A 644 17.869 -7.494 -0.822 1.00 0.00 O ATOM 942 CB ASN A 644 17.012 -8.026 2.084 1.00 0.00 C ATOM 943 CG ASN A 644 18.538 -7.968 2.077 1.00 0.00 C ATOM 944 OD1 ASN A 644 19.097 -6.778 1.868 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 19.207 -8.982 2.278 1.00 0.00 N flip ATOM 0 H ASN A 644 14.540 -7.713 1.811 1.00 0.00 H new ATOM 0 HA ASN A 644 16.795 -6.086 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.645 -7.756 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.689 -9.049 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.743 -9.877 2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 644 20.225 -8.927 2.288 1.00 0.00 H new ATOM 952 N SER A 645 15.706 -8.021 -1.126 1.00 0.00 N ATOM 953 CA SER A 645 15.909 -8.505 -2.480 1.00 0.00 C ATOM 954 C SER A 645 14.877 -7.892 -3.423 1.00 0.00 C ATOM 955 O SER A 645 13.722 -7.699 -3.032 1.00 0.00 O ATOM 956 CB SER A 645 15.830 -10.032 -2.524 1.00 0.00 C ATOM 957 OG SER A 645 16.751 -10.614 -1.617 1.00 0.00 O ATOM 0 H SER A 645 14.739 -8.060 -0.804 1.00 0.00 H new ATOM 0 HA SER A 645 16.904 -8.203 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.818 -10.355 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.039 -10.382 -3.535 1.00 0.00 H new ATOM 0 HG SER A 645 16.681 -11.591 -1.661 1.00 0.00 H new ATOM 963 N ARG A 646 15.293 -7.575 -4.644 1.00 0.00 N ATOM 964 CA ARG A 646 14.418 -6.905 -5.608 1.00 0.00 C ATOM 965 C ARG A 646 13.127 -7.684 -5.830 1.00 0.00 C ATOM 966 O ARG A 646 12.029 -7.129 -5.723 1.00 0.00 O ATOM 967 CB ARG A 646 15.136 -6.733 -6.949 1.00 0.00 C ATOM 968 CG ARG A 646 16.387 -5.875 -6.876 1.00 0.00 C ATOM 969 CD ARG A 646 16.062 -4.431 -6.539 1.00 0.00 C ATOM 970 NE ARG A 646 15.255 -3.796 -7.576 1.00 0.00 N ATOM 971 CZ ARG A 646 15.287 -2.495 -7.853 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.103 -1.688 -7.184 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.510 -2.005 -8.810 1.00 0.00 N ATOM 0 H ARG A 646 16.231 -7.770 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 646 14.168 -5.928 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.405 -7.717 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.445 -6.289 -7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.062 -6.281 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.912 -5.916 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.528 -4.392 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.988 -3.872 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 646 14.628 -4.386 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.708 -2.065 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.124 -0.691 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.890 -2.625 -9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.532 -1.008 -9.025 1.00 0.00 H new ATOM 987 N ASP A 647 13.268 -8.975 -6.108 1.00 0.00 N ATOM 988 CA ASP A 647 12.123 -9.823 -6.415 1.00 0.00 C ATOM 989 C ASP A 647 11.171 -9.901 -5.233 1.00 0.00 C ATOM 990 O ASP A 647 9.950 -9.854 -5.401 1.00 0.00 O ATOM 991 CB ASP A 647 12.572 -11.230 -6.802 1.00 0.00 C ATOM 992 CG ASP A 647 11.407 -12.097 -7.234 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.961 -11.957 -8.392 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.924 -12.914 -6.421 1.00 0.00 O ATOM 0 H ASP A 647 14.166 -9.458 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 647 11.602 -9.373 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.299 -11.169 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.077 -11.696 -5.955 1.00 0.00 H new ATOM 999 N GLU A 648 11.741 -10.009 -4.037 1.00 0.00 N ATOM 1000 CA GLU A 648 10.948 -10.115 -2.821 1.00 0.00 C ATOM 1001 C GLU A 648 10.045 -8.897 -2.655 1.00 0.00 C ATOM 1002 O GLU A 648 8.849 -9.028 -2.387 1.00 0.00 O ATOM 1003 CB GLU A 648 11.846 -10.250 -1.592 1.00 0.00 C ATOM 1004 CG GLU A 648 11.072 -10.598 -0.328 1.00 0.00 C ATOM 1005 CD GLU A 648 10.330 -11.914 -0.452 1.00 0.00 C ATOM 1006 OE1 GLU A 648 10.953 -12.969 -0.216 1.00 0.00 O ATOM 1007 OE2 GLU A 648 9.124 -11.907 -0.785 1.00 0.00 O ATOM 0 H GLU A 648 12.750 -10.025 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 648 10.331 -11.009 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.594 -11.021 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.384 -9.315 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.761 -10.650 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.361 -9.802 -0.109 1.00 0.00 H new ATOM 1014 N TYR A 649 10.631 -7.716 -2.838 1.00 0.00 N ATOM 1015 CA TYR A 649 9.925 -6.457 -2.614 1.00 0.00 C ATOM 1016 C TYR A 649 8.657 -6.374 -3.467 1.00 0.00 C ATOM 1017 O TYR A 649 7.574 -6.092 -2.953 1.00 0.00 O ATOM 1018 CB TYR A 649 10.844 -5.265 -2.922 1.00 0.00 C ATOM 1019 CG TYR A 649 10.497 -3.994 -2.172 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.371 -3.912 -1.360 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.317 -2.876 -2.264 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.071 -2.755 -0.667 1.00 0.00 C ATOM 1023 CE2 TYR A 649 11.024 -1.716 -1.571 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.901 -1.661 -0.774 1.00 0.00 C ATOM 1025 OH TYR A 649 9.605 -0.508 -0.086 1.00 0.00 O ATOM 0 H TYR A 649 11.598 -7.605 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 649 9.634 -6.420 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.871 -5.543 -2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 649 10.808 -5.062 -3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.719 -4.768 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 649 12.198 -2.914 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.190 -2.709 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.673 -0.856 -1.654 1.00 0.00 H new ATOM 0 HH TYR A 649 9.125 -0.733 0.739 1.00 0.00 H new ATOM 1035 N TYR A 650 8.790 -6.645 -4.763 1.00 0.00 N ATOM 1036 CA TYR A 650 7.673 -6.612 -5.679 1.00 0.00 C ATOM 1037 C TYR A 650 6.634 -7.675 -5.338 1.00 0.00 C ATOM 1038 O TYR A 650 5.431 -7.432 -5.434 1.00 0.00 O ATOM 1039 CB TYR A 650 8.191 -6.803 -7.098 1.00 0.00 C ATOM 1040 CG TYR A 650 8.872 -5.580 -7.665 1.00 0.00 C ATOM 1041 CD1 TYR A 650 8.125 -4.524 -8.168 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.256 -5.484 -7.703 1.00 0.00 C ATOM 1043 CE1 TYR A 650 8.738 -3.404 -8.694 1.00 0.00 C ATOM 1044 CE2 TYR A 650 10.877 -4.366 -8.226 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.113 -3.330 -8.720 1.00 0.00 C ATOM 1046 OH TYR A 650 10.728 -2.220 -9.249 1.00 0.00 O ATOM 0 H TYR A 650 9.678 -6.893 -5.199 1.00 0.00 H new ATOM 0 HA TYR A 650 7.179 -5.644 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.893 -7.637 -7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.358 -7.077 -7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.047 -4.579 -8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 650 10.856 -6.295 -7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 650 8.143 -2.591 -9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 650 11.955 -4.304 -8.248 1.00 0.00 H new ATOM 0 HH TYR A 650 11.701 -2.326 -9.190 1.00 0.00 H new ATOM 1056 N HIS A 651 7.116 -8.839 -4.922 1.00 0.00 N ATOM 1057 CA HIS A 651 6.261 -9.994 -4.659 1.00 0.00 C ATOM 1058 C HIS A 651 5.309 -9.714 -3.501 1.00 0.00 C ATOM 1059 O HIS A 651 4.104 -9.950 -3.604 1.00 0.00 O ATOM 1060 CB HIS A 651 7.148 -11.214 -4.356 1.00 0.00 C ATOM 1061 CG HIS A 651 6.492 -12.301 -3.559 1.00 0.00 C ATOM 1062 ND1 HIS A 651 6.900 -12.643 -2.283 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.460 -13.123 -3.855 1.00 0.00 C ATOM 1064 CE1 HIS A 651 6.144 -13.625 -1.833 1.00 0.00 C ATOM 1065 NE2 HIS A 651 5.264 -13.934 -2.767 1.00 0.00 N ATOM 0 H HIS A 651 8.108 -9.011 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 651 5.652 -10.199 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.492 -11.636 -5.300 1.00 0.00 H new ATOM 0 HB3 HIS A 651 8.033 -10.874 -3.817 1.00 0.00 H new ATOM 0 HD1 HIS A 651 7.665 -12.205 -1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.896 -13.138 -4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 651 6.230 -14.096 -0.865 1.00 0.00 H new ATOM 1074 N LEU A 652 5.863 -9.212 -2.407 1.00 0.00 N ATOM 1075 CA LEU A 652 5.086 -8.956 -1.202 1.00 0.00 C ATOM 1076 C LEU A 652 3.987 -7.935 -1.464 1.00 0.00 C ATOM 1077 O LEU A 652 2.822 -8.168 -1.148 1.00 0.00 O ATOM 1078 CB LEU A 652 6.005 -8.451 -0.093 1.00 0.00 C ATOM 1079 CG LEU A 652 7.106 -9.419 0.333 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.087 -8.721 1.255 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.509 -10.640 1.016 1.00 0.00 C ATOM 0 H LEU A 652 6.851 -8.973 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 652 4.617 -9.890 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.469 -7.522 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.397 -8.211 0.779 1.00 0.00 H new ATOM 0 HG LEU A 652 7.640 -9.753 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.868 -9.421 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.537 -7.875 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.563 -8.364 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.309 -11.319 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.953 -10.327 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.837 -11.151 0.326 1.00 0.00 H new ATOM 1093 N LEU A 653 4.364 -6.813 -2.063 1.00 0.00 N ATOM 1094 CA LEU A 653 3.414 -5.751 -2.359 1.00 0.00 C ATOM 1095 C LEU A 653 2.329 -6.235 -3.315 1.00 0.00 C ATOM 1096 O LEU A 653 1.146 -5.976 -3.098 1.00 0.00 O ATOM 1097 CB LEU A 653 4.140 -4.545 -2.953 1.00 0.00 C ATOM 1098 CG LEU A 653 4.987 -3.748 -1.959 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.180 -3.136 -2.660 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.160 -2.654 -1.300 1.00 0.00 C ATOM 0 H LEU A 653 5.322 -6.616 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 653 2.935 -5.455 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.784 -4.890 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.401 -3.877 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 653 5.338 -4.433 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.774 -2.572 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.791 -3.927 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.835 -2.468 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.783 -2.100 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.782 -1.974 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.322 -3.103 -0.767 1.00 0.00 H new ATOM 1112 N ALA A 654 2.736 -6.956 -4.359 1.00 0.00 N ATOM 1113 CA ALA A 654 1.803 -7.453 -5.367 1.00 0.00 C ATOM 1114 C ALA A 654 0.700 -8.304 -4.743 1.00 0.00 C ATOM 1115 O ALA A 654 -0.484 -8.116 -5.046 1.00 0.00 O ATOM 1116 CB ALA A 654 2.545 -8.252 -6.428 1.00 0.00 C ATOM 0 H ALA A 654 3.709 -7.209 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 654 1.333 -6.588 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.836 -8.615 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.284 -7.615 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.047 -9.099 -5.961 1.00 0.00 H new ATOM 1122 N GLU A 655 1.091 -9.232 -3.873 1.00 0.00 N ATOM 1123 CA GLU A 655 0.124 -10.106 -3.200 1.00 0.00 C ATOM 1124 C GLU A 655 -0.869 -9.283 -2.386 1.00 0.00 C ATOM 1125 O GLU A 655 -2.083 -9.480 -2.482 1.00 0.00 O ATOM 1126 CB GLU A 655 0.814 -11.137 -2.286 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.121 -11.727 -1.239 1.00 0.00 C ATOM 1128 CD GLU A 655 0.568 -12.706 -0.319 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.618 -13.909 -0.656 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.049 -12.281 0.750 1.00 0.00 O ATOM 0 H GLU A 655 2.064 -9.400 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.408 -10.650 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.219 -11.943 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.658 -10.662 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.550 -10.919 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.949 -12.228 -1.740 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.350 -8.344 -1.603 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.183 -7.546 -0.713 1.00 0.00 C ATOM 1139 C LYS A 656 -2.164 -6.703 -1.512 1.00 0.00 C ATOM 1140 O LYS A 656 -3.336 -6.589 -1.154 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.316 -6.642 0.165 1.00 0.00 C ATOM 1142 CG LYS A 656 0.784 -7.384 0.904 1.00 0.00 C ATOM 1143 CD LYS A 656 0.242 -8.349 1.948 1.00 0.00 C ATOM 1144 CE LYS A 656 -0.247 -7.618 3.188 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.635 -8.561 4.269 1.00 0.00 N ATOM 0 H LYS A 656 0.644 -8.117 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.744 -8.226 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.134 -5.869 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -0.953 -6.136 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.391 -7.935 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.441 -6.662 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.577 -8.927 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 656 1.021 -9.059 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 656 0.537 -6.953 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -1.101 -6.992 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -0.963 -8.024 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -1.400 -9.179 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 0.186 -9.141 4.535 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.688 -6.137 -2.611 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.525 -5.308 -3.460 1.00 0.00 C ATOM 1161 C ILE A 657 -3.680 -6.130 -4.033 1.00 0.00 C ATOM 1162 O ILE A 657 -4.827 -5.684 -4.031 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.698 -4.660 -4.600 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.662 -3.696 -4.012 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.601 -3.927 -5.581 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.238 -3.057 -5.048 1.00 0.00 C ATOM 0 H ILE A 657 -0.726 -6.238 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 657 -2.937 -4.505 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.182 -5.452 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.181 -2.911 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.046 -4.235 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -1.995 -3.482 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.309 -4.631 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.147 -3.143 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.943 -2.389 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.786 -3.833 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.367 -2.489 -5.755 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.384 -7.343 -4.493 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.433 -8.227 -5.010 1.00 0.00 C ATOM 1180 C TYR A 658 -5.412 -8.612 -3.901 1.00 0.00 C ATOM 1181 O TYR A 658 -6.617 -8.683 -4.138 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.870 -9.495 -5.687 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.915 -10.280 -6.472 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.886 -9.629 -7.234 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.947 -11.676 -6.440 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.843 -10.340 -7.932 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.905 -12.387 -7.136 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.849 -11.715 -7.879 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.811 -12.421 -8.569 1.00 0.00 O ATOM 0 H TYR A 658 -2.443 -7.735 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.961 -7.662 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -3.061 -9.210 -6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.437 -10.143 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.889 -8.550 -7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.209 -12.210 -5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -7.585 -9.818 -8.518 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.913 -13.466 -7.097 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.675 -13.381 -8.429 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.902 -8.856 -2.689 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.761 -9.275 -1.588 1.00 0.00 C ATOM 1201 C LYS A 659 -6.808 -8.209 -1.289 1.00 0.00 C ATOM 1202 O LYS A 659 -7.987 -8.518 -1.120 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.950 -9.572 -0.323 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.041 -10.785 -0.432 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.825 -12.061 -0.707 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.911 -13.275 -0.691 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.635 -14.528 -1.023 1.00 0.00 N ATOM 0 H LYS A 659 -3.914 -8.771 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.261 -10.193 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.344 -8.699 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.638 -9.722 0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.317 -10.625 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.476 -10.899 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.607 -12.180 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.320 -11.987 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.100 -13.126 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.455 -13.371 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.972 -15.329 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.393 -14.686 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -5.049 -14.448 -1.974 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.367 -6.959 -1.241 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.264 -5.832 -1.017 1.00 0.00 C ATOM 1223 C ILE A 660 -8.264 -5.695 -2.164 1.00 0.00 C ATOM 1224 O ILE A 660 -9.438 -5.394 -1.939 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.471 -4.518 -0.788 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.311 -4.274 0.713 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.141 -3.315 -1.451 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.362 -3.144 1.051 1.00 0.00 C ATOM 0 H ILE A 660 -5.387 -6.699 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.831 -6.028 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.492 -4.634 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.289 -4.055 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -5.953 -5.189 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.549 -2.419 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.211 -3.484 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.141 -3.182 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.301 -3.032 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.372 -3.369 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -5.729 -2.217 0.610 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.807 -5.941 -3.389 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.692 -5.843 -4.556 1.00 0.00 C ATOM 1242 C GLN A 661 -9.768 -6.915 -4.465 1.00 0.00 C ATOM 1243 O GLN A 661 -10.936 -6.680 -4.784 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.943 -5.982 -5.890 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.916 -4.890 -6.167 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.404 -4.945 -7.587 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.427 -5.802 -7.834 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -6.914 -4.251 -8.465 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.845 -6.206 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.135 -4.847 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.438 -6.948 -5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.672 -5.989 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.364 -3.914 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.080 -4.994 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -7.666 -3.603 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.585 -4.324 -9.428 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.354 -8.094 -4.013 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.256 -9.216 -3.816 1.00 0.00 C ATOM 1259 C LYS A 662 -11.291 -8.875 -2.749 1.00 0.00 C ATOM 1260 O LYS A 662 -12.472 -9.210 -2.885 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.455 -10.463 -3.419 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.298 -11.589 -2.842 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.465 -12.834 -2.590 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.200 -13.827 -1.705 1.00 0.00 C ATOM 1265 NZ LYS A 662 -10.290 -13.354 -0.299 1.00 0.00 N ATOM 0 H LYS A 662 -8.383 -8.296 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.782 -9.423 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.924 -10.834 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.700 -10.178 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -10.756 -11.261 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -11.110 -11.826 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -9.218 -13.306 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.523 -12.553 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -11.203 -13.991 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -9.686 -14.788 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -10.578 -14.143 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -9.362 -12.998 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -10.993 -12.590 -0.234 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.841 -8.199 -1.695 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.731 -7.754 -0.630 1.00 0.00 C ATOM 1281 C GLU A 663 -12.780 -6.798 -1.186 1.00 0.00 C ATOM 1282 O GLU A 663 -13.954 -6.902 -0.849 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.949 -7.065 0.496 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.023 -7.989 1.277 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.761 -9.113 1.975 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.282 -8.888 3.089 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.813 -10.229 1.420 1.00 0.00 O ATOM 0 H GLU A 663 -9.862 -7.948 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.224 -8.634 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.358 -6.255 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.658 -6.611 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.284 -8.414 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.476 -7.405 2.018 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.354 -5.882 -2.058 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.266 -4.916 -2.672 1.00 0.00 C ATOM 1296 C LEU A 664 -14.404 -5.633 -3.392 1.00 0.00 C ATOM 1297 O LEU A 664 -15.573 -5.267 -3.246 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.525 -4.014 -3.666 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.359 -3.211 -3.094 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.660 -2.444 -4.203 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.840 -2.257 -2.013 1.00 0.00 C ATOM 0 H LEU A 664 -11.383 -5.789 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.677 -4.299 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.150 -4.634 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.242 -3.318 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.650 -3.905 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.830 -1.875 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.281 -3.145 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.367 -1.761 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -10.993 -1.695 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.569 -1.565 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.304 -2.825 -1.207 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.056 -6.664 -4.153 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.046 -7.454 -4.868 1.00 0.00 C ATOM 1315 C GLU A 665 -15.960 -8.165 -3.879 1.00 0.00 C ATOM 1316 O GLU A 665 -17.169 -8.263 -4.090 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.363 -8.470 -5.783 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.449 -7.839 -6.819 1.00 0.00 C ATOM 1319 CD GLU A 665 -12.897 -8.855 -7.794 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -13.615 -9.214 -8.748 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -11.749 -9.304 -7.612 1.00 0.00 O ATOM 0 H GLU A 665 -13.093 -6.971 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.646 -6.785 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.783 -9.163 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -15.126 -9.057 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -13.999 -7.074 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -12.623 -7.338 -6.314 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.367 -8.651 -2.797 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.107 -9.323 -1.741 1.00 0.00 C ATOM 1330 C GLU A 666 -17.120 -8.375 -1.099 1.00 0.00 C ATOM 1331 O GLU A 666 -18.221 -8.784 -0.740 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.150 -9.880 -0.690 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.847 -10.687 0.387 1.00 0.00 C ATOM 1334 CD GLU A 666 -14.877 -11.379 1.312 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.424 -12.492 0.975 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -14.577 -10.827 2.386 1.00 0.00 O ATOM 0 H GLU A 666 -14.363 -8.590 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.655 -10.154 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.407 -10.508 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.612 -9.054 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -16.492 -10.029 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.491 -11.431 -0.081 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.741 -7.114 -0.934 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.661 -6.106 -0.413 1.00 0.00 C ATOM 1345 C LYS A 667 -18.859 -5.973 -1.352 1.00 0.00 C ATOM 1346 O LYS A 667 -20.006 -5.883 -0.915 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.969 -4.736 -0.271 1.00 0.00 C ATOM 1348 CG LYS A 667 -15.578 -4.768 0.362 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.563 -5.495 1.701 1.00 0.00 C ATOM 1350 CE LYS A 667 -16.263 -4.692 2.782 1.00 0.00 C ATOM 1351 NZ LYS A 667 -16.250 -5.392 4.092 1.00 0.00 N ATOM 0 H LYS A 667 -15.808 -6.764 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 667 -17.992 -6.427 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -16.890 -4.284 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -17.607 -4.086 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -14.883 -5.256 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -15.223 -3.747 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -16.050 -6.464 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -14.532 -5.687 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -15.777 -3.722 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -17.294 -4.502 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -16.810 -4.850 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -16.660 -6.341 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -15.270 -5.475 4.432 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.579 -5.990 -2.654 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.602 -5.836 -3.676 1.00 0.00 C ATOM 1367 C ARG A 668 -20.535 -7.034 -3.710 1.00 0.00 C ATOM 1368 O ARG A 668 -21.687 -6.944 -4.138 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.930 -5.641 -5.042 1.00 0.00 C ATOM 1370 CG ARG A 668 -19.887 -5.353 -6.187 1.00 0.00 C ATOM 1371 CD ARG A 668 -20.536 -3.987 -6.046 1.00 0.00 C ATOM 1372 NE ARG A 668 -21.373 -3.660 -7.196 1.00 0.00 N ATOM 1373 CZ ARG A 668 -22.000 -2.499 -7.357 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -21.887 -1.541 -6.445 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -22.744 -2.294 -8.435 1.00 0.00 N ATOM 0 H ARG A 668 -17.637 -6.111 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.204 -4.959 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.218 -4.819 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -18.358 -6.538 -5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -19.348 -5.404 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -20.659 -6.122 -6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -21.140 -3.964 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -19.762 -3.228 -5.933 1.00 0.00 H new ATOM 0 HE ARG A 668 -21.484 -4.367 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -21.316 -1.693 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -22.371 -0.653 -6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -22.835 -3.026 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -23.226 -1.404 -8.560 1.00 0.00 H new ATOM 1389 N ARG A 669 -20.001 -8.136 -3.237 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.677 -9.436 -3.244 1.00 0.00 C ATOM 1391 C ARG A 669 -22.073 -9.381 -2.625 1.00 0.00 C ATOM 1392 O ARG A 669 -22.978 -10.082 -3.079 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.823 -10.472 -2.511 1.00 0.00 C ATOM 1394 CG ARG A 669 -20.372 -11.890 -2.558 1.00 0.00 C ATOM 1395 CD ARG A 669 -19.460 -12.860 -1.822 1.00 0.00 C ATOM 1396 NE ARG A 669 -19.315 -12.513 -0.407 1.00 0.00 N ATOM 1397 CZ ARG A 669 -18.409 -13.056 0.410 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -17.552 -13.960 -0.048 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -18.355 -12.685 1.688 1.00 0.00 N ATOM 0 H ARG A 669 -19.068 -8.167 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 669 -20.802 -9.725 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -18.822 -10.469 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.722 -10.169 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -21.366 -11.912 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -20.481 -12.206 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -19.861 -13.870 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -18.479 -12.865 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 669 -19.947 -11.811 -0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -17.584 -14.243 -1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -16.862 -14.372 0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -19.006 -11.985 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -17.662 -13.101 2.311 1.00 0.00 H new ATOM 1413 N SER A 670 -22.258 -8.564 -1.597 1.00 0.00 N ATOM 1414 CA SER A 670 -23.583 -8.436 -1.008 1.00 0.00 C ATOM 1415 C SER A 670 -24.292 -7.161 -1.490 1.00 0.00 C ATOM 1416 O SER A 670 -25.439 -7.250 -1.932 1.00 0.00 O ATOM 1417 CB SER A 670 -23.515 -8.533 0.533 1.00 0.00 C ATOM 1418 OG SER A 670 -24.531 -7.766 1.160 1.00 0.00 O ATOM 0 H SER A 670 -21.531 -7.995 -1.164 1.00 0.00 H new ATOM 0 HA SER A 670 -24.190 -9.273 -1.352 1.00 0.00 H new ATOM 0 HB2 SER A 670 -23.610 -9.576 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 670 -22.539 -8.190 0.875 1.00 0.00 H new ATOM 0 HG SER A 670 -24.455 -7.855 2.133 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.615 -5.996 -1.437 1.00 0.00 N ATOM 1425 CA ARG A 671 -24.094 -4.778 -2.097 1.00 0.00 C ATOM 1426 C ARG A 671 -23.246 -3.578 -1.677 1.00 0.00 C ATOM 1427 O ARG A 671 -23.711 -2.701 -0.948 1.00 0.00 O ATOM 1428 CB ARG A 671 -25.571 -4.493 -1.766 1.00 0.00 C ATOM 1429 CG ARG A 671 -26.174 -3.340 -2.557 1.00 0.00 C ATOM 1430 CD ARG A 671 -26.151 -3.610 -4.053 1.00 0.00 C ATOM 1431 NE ARG A 671 -26.635 -2.467 -4.823 1.00 0.00 N ATOM 1432 CZ ARG A 671 -26.197 -2.154 -6.040 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -25.278 -2.907 -6.632 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -26.680 -1.089 -6.667 1.00 0.00 N ATOM 0 H ARG A 671 -22.732 -5.879 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 671 -24.006 -4.937 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -26.155 -5.394 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -25.658 -4.274 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -27.202 -3.175 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -25.622 -2.425 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -25.134 -3.851 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -26.766 -4.482 -4.273 1.00 0.00 H new ATOM 0 HE ARG A 671 -27.351 -1.874 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -24.906 -3.728 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -24.944 -2.665 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -27.388 -0.509 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.343 -0.850 -7.600 1.00 0.00 H new ATOM 1448 N LEU A 672 -21.998 -3.555 -2.111 1.00 0.00 N ATOM 1449 CA LEU A 672 -21.125 -2.415 -1.859 1.00 0.00 C ATOM 1450 C LEU A 672 -20.344 -2.073 -3.121 1.00 0.00 C ATOM 1451 O LEU A 672 -19.259 -2.645 -3.318 1.00 0.00 O ATOM 1452 CB LEU A 672 -20.161 -2.714 -0.699 1.00 0.00 C ATOM 1453 CG LEU A 672 -20.816 -2.869 0.679 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -19.802 -3.365 1.698 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -21.419 -1.551 1.137 1.00 0.00 C ATOM 1456 OXT LEU A 672 -20.836 -1.254 -3.928 1.00 0.00 O ATOM 0 H LEU A 672 -21.564 -4.311 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 672 -21.740 -1.560 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -19.617 -3.630 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -19.426 -1.911 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 672 -21.615 -3.605 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -20.284 -3.469 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -19.411 -4.332 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -18.983 -2.650 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -21.879 -1.682 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -20.636 -0.796 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -22.175 -1.229 0.421 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 2.772 -12.461 11.645 1.00 0.00 N ATOM 1470 CA ASP B 840 1.837 -13.235 10.832 1.00 0.00 C ATOM 1471 C ASP B 840 0.433 -12.661 10.949 1.00 0.00 C ATOM 1472 O ASP B 840 -0.486 -13.324 11.431 1.00 0.00 O ATOM 1473 CB ASP B 840 1.848 -14.710 11.252 1.00 0.00 C ATOM 1474 CG ASP B 840 2.988 -15.495 10.632 1.00 0.00 C ATOM 1475 OD1 ASP B 840 2.813 -16.024 9.514 1.00 0.00 O ATOM 1476 OD2 ASP B 840 4.060 -15.602 11.261 1.00 0.00 O ATOM 0 HA ASP B 840 2.153 -13.172 9.791 1.00 0.00 H new ATOM 0 HB2 ASP B 840 1.920 -14.772 12.338 1.00 0.00 H new ATOM 0 HB3 ASP B 840 0.901 -15.170 10.968 1.00 0.00 H new ATOM 1481 N ALA B 841 0.275 -11.421 10.503 1.00 0.00 N ATOM 1482 CA ALA B 841 -1.000 -10.719 10.600 1.00 0.00 C ATOM 1483 C ALA B 841 -1.956 -11.142 9.489 1.00 0.00 C ATOM 1484 O ALA B 841 -3.087 -10.660 9.412 1.00 0.00 O ATOM 1485 CB ALA B 841 -0.777 -9.213 10.566 1.00 0.00 C ATOM 0 H ALA B 841 1.020 -10.877 10.067 1.00 0.00 H new ATOM 0 HA ALA B 841 -1.459 -10.987 11.552 1.00 0.00 H new ATOM 0 HB1 ALA B 841 -1.737 -8.701 10.639 1.00 0.00 H new ATOM 0 HB2 ALA B 841 -0.145 -8.920 11.404 1.00 0.00 H new ATOM 0 HB3 ALA B 841 -0.290 -8.938 9.630 1.00 0.00 H new ATOM 1491 N GLY B 842 -1.497 -12.037 8.631 1.00 0.00 N ATOM 1492 CA GLY B 842 -2.323 -12.530 7.558 1.00 0.00 C ATOM 1493 C GLY B 842 -2.028 -11.838 6.246 1.00 0.00 C ATOM 1494 O GLY B 842 -1.862 -10.616 6.204 1.00 0.00 O ATOM 0 H GLY B 842 -0.557 -12.433 8.662 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.166 -13.603 7.444 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -3.373 -12.387 7.814 1.00 0.00 H new ATOM 1498 N ASN B 843 -1.955 -12.620 5.177 1.00 0.00 N ATOM 1499 CA ASN B 843 -1.703 -12.085 3.845 1.00 0.00 C ATOM 1500 C ASN B 843 -2.827 -11.138 3.457 1.00 0.00 C ATOM 1501 O ASN B 843 -2.596 -10.087 2.857 1.00 0.00 O ATOM 1502 CB ASN B 843 -1.599 -13.220 2.822 1.00 0.00 C ATOM 1503 CG ASN B 843 -0.532 -14.248 3.187 1.00 0.00 C ATOM 1504 OD1 ASN B 843 -0.812 -15.205 3.910 1.00 0.00 O ATOM 1505 ND2 ASN B 843 0.683 -14.084 2.683 1.00 0.00 N ATOM 0 H ASN B 843 -2.068 -13.633 5.207 1.00 0.00 H new ATOM 0 HA ASN B 843 -0.758 -11.542 3.855 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -2.565 -13.719 2.740 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -1.373 -12.800 1.842 1.00 0.00 H new ATOM 0 HD21 ASN B 843 1.417 -14.761 2.891 1.00 0.00 H new ATOM 0 HD22 ASN B 843 0.884 -13.281 2.087 1.00 0.00 H new ATOM 1512 N ILE B 844 -4.042 -11.514 3.829 1.00 0.00 N ATOM 1513 CA ILE B 844 -5.218 -10.675 3.580 1.00 0.00 C ATOM 1514 C ILE B 844 -5.220 -9.479 4.534 1.00 0.00 C ATOM 1515 O ILE B 844 -4.941 -9.626 5.724 1.00 0.00 O ATOM 1516 CB ILE B 844 -6.564 -11.447 3.727 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -6.556 -12.728 2.877 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -7.727 -10.551 3.324 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -7.894 -13.438 2.816 1.00 0.00 C ATOM 0 H ILE B 844 -4.245 -12.393 4.305 1.00 0.00 H new ATOM 0 HA ILE B 844 -5.145 -10.342 2.545 1.00 0.00 H new ATOM 0 HB ILE B 844 -6.684 -11.734 4.772 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -6.243 -12.477 1.863 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -5.811 -13.414 3.280 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -8.663 -11.100 3.430 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -7.748 -9.671 3.966 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.604 -10.240 2.286 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -7.804 -14.331 2.198 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -8.201 -13.723 3.822 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -8.640 -12.771 2.384 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.543 -8.302 4.011 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.499 -7.075 4.794 1.00 0.00 C ATOM 1533 C LEU B 845 -6.884 -6.769 5.363 1.00 0.00 C ATOM 1534 O LEU B 845 -7.889 -7.213 4.810 1.00 0.00 O ATOM 1535 CB LEU B 845 -4.995 -5.911 3.926 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.651 -6.158 3.227 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.860 -6.644 1.807 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -2.796 -4.902 3.228 1.00 0.00 C ATOM 0 H LEU B 845 -5.839 -8.172 3.044 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.806 -7.206 5.625 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.747 -5.691 3.168 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -4.904 -5.023 4.552 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.127 -6.933 3.786 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.893 -6.812 1.334 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.424 -7.577 1.821 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.414 -5.894 1.244 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -1.850 -5.106 2.727 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -3.321 -4.104 2.703 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -2.603 -4.594 4.256 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.946 -6.032 6.490 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.197 -5.717 7.197 1.00 0.00 C ATOM 1552 C PRO B 846 -9.317 -5.219 6.284 1.00 0.00 C ATOM 1553 O PRO B 846 -9.198 -4.177 5.636 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.794 -4.611 8.188 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.395 -4.233 7.830 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.795 -5.443 7.183 1.00 0.00 C ATOM 0 HA PRO B 846 -8.606 -6.612 7.665 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.463 -3.754 8.110 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.852 -4.968 9.216 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.382 -3.380 7.151 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.830 -3.943 8.716 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -4.995 -5.179 6.491 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.369 -6.127 7.917 1.00 0.00 H new ATOM 1564 N SER B 847 -10.410 -5.981 6.270 1.00 0.00 N ATOM 1565 CA SER B 847 -11.611 -5.648 5.506 1.00 0.00 C ATOM 1566 C SER B 847 -12.118 -4.258 5.890 1.00 0.00 C ATOM 1567 O SER B 847 -12.649 -3.525 5.059 1.00 0.00 O ATOM 1568 CB SER B 847 -12.709 -6.692 5.740 1.00 0.00 C ATOM 1569 OG SER B 847 -13.809 -6.482 4.871 1.00 0.00 O ATOM 0 H SER B 847 -10.487 -6.853 6.793 1.00 0.00 H new ATOM 0 HA SER B 847 -11.352 -5.649 4.447 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.304 -7.692 5.583 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.046 -6.644 6.776 1.00 0.00 H new ATOM 0 HG SER B 847 -13.504 -6.020 4.062 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.966 -3.922 7.169 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.494 -2.675 7.727 1.00 0.00 C ATOM 1577 C ASP B 848 -12.042 -1.433 6.950 1.00 0.00 C ATOM 1578 O ASP B 848 -12.831 -0.511 6.756 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.092 -2.527 9.196 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.726 -1.311 9.836 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.971 -1.273 9.951 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.990 -0.381 10.216 1.00 0.00 O ATOM 0 H ASP B 848 -11.475 -4.504 7.848 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.579 -2.740 7.642 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.387 -3.421 9.745 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -11.007 -2.452 9.269 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.783 -1.390 6.509 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.305 -0.240 5.734 1.00 0.00 C ATOM 1589 C ILE B 849 -11.065 -0.163 4.410 1.00 0.00 C ATOM 1590 O ILE B 849 -11.425 0.920 3.943 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.775 -0.266 5.465 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.003 -0.559 6.763 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.328 1.069 4.874 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.202 0.477 7.857 1.00 0.00 C ATOM 0 H ILE B 849 -10.089 -2.120 6.670 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.496 0.647 6.338 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.559 -1.061 4.751 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.310 -1.534 7.142 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.940 -0.627 6.532 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.254 1.043 4.688 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.855 1.246 3.936 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.556 1.872 5.575 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.623 0.194 8.736 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.867 1.451 7.501 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.258 0.530 8.120 1.00 0.00 H new ATOM 1606 N MET B 850 -11.314 -1.328 3.816 1.00 0.00 N ATOM 1607 CA MET B 850 -12.132 -1.426 2.608 1.00 0.00 C ATOM 1608 C MET B 850 -13.540 -0.911 2.885 1.00 0.00 C ATOM 1609 O MET B 850 -14.134 -0.219 2.061 1.00 0.00 O ATOM 1610 CB MET B 850 -12.213 -2.875 2.115 1.00 0.00 C ATOM 1611 CG MET B 850 -10.960 -3.404 1.428 1.00 0.00 C ATOM 1612 SD MET B 850 -9.465 -3.315 2.441 1.00 0.00 S ATOM 1613 CE MET B 850 -8.782 -1.742 1.917 1.00 0.00 C ATOM 0 H MET B 850 -10.959 -2.223 4.154 1.00 0.00 H new ATOM 0 HA MET B 850 -11.662 -0.817 1.835 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.439 -3.518 2.966 1.00 0.00 H new ATOM 0 HB3 MET B 850 -13.050 -2.958 1.421 1.00 0.00 H new ATOM 0 HG2 MET B 850 -11.128 -4.441 1.139 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.797 -2.840 0.510 1.00 0.00 H new ATOM 0 HE1 MET B 850 -7.697 -1.765 2.017 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.047 -1.559 0.875 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.187 -0.944 2.539 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.071 -1.267 4.047 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.367 -0.749 4.487 1.00 0.00 C ATOM 1625 C ASP B 851 -15.334 0.772 4.575 1.00 0.00 C ATOM 1626 O ASP B 851 -16.285 1.446 4.192 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.775 -1.322 5.863 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.232 -2.760 5.803 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -17.288 -3.032 5.194 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -15.545 -3.631 6.370 1.00 0.00 O ATOM 0 H ASP B 851 -13.629 -1.911 4.703 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.103 -1.062 3.746 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -14.928 -1.246 6.545 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.576 -0.711 6.279 1.00 0.00 H new ATOM 1635 N PHE B 852 -14.227 1.304 5.079 1.00 0.00 N ATOM 1636 CA PHE B 852 -14.089 2.738 5.302 1.00 0.00 C ATOM 1637 C PHE B 852 -14.128 3.503 3.979 1.00 0.00 C ATOM 1638 O PHE B 852 -14.854 4.493 3.845 1.00 0.00 O ATOM 1639 CB PHE B 852 -12.787 3.023 6.065 1.00 0.00 C ATOM 1640 CG PHE B 852 -12.653 4.438 6.554 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -13.699 5.059 7.221 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -11.476 5.144 6.363 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -13.573 6.354 7.682 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -11.345 6.438 6.820 1.00 0.00 C ATOM 1645 CZ PHE B 852 -12.395 7.045 7.481 1.00 0.00 C ATOM 0 H PHE B 852 -13.406 0.759 5.343 1.00 0.00 H new ATOM 0 HA PHE B 852 -14.930 3.082 5.905 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -12.725 2.349 6.919 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -11.942 2.794 5.416 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -14.623 4.523 7.381 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -10.650 4.674 5.849 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -14.395 6.826 8.199 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -10.422 6.977 6.661 1.00 0.00 H new ATOM 0 HZ PHE B 852 -12.295 8.059 7.840 1.00 0.00 H new ATOM 1655 N VAL B 853 -13.352 3.043 3.001 1.00 0.00 N ATOM 1656 CA VAL B 853 -13.328 3.680 1.691 1.00 0.00 C ATOM 1657 C VAL B 853 -14.679 3.540 0.973 1.00 0.00 C ATOM 1658 O VAL B 853 -15.207 4.520 0.445 1.00 0.00 O ATOM 1659 CB VAL B 853 -12.166 3.151 0.805 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -12.245 1.647 0.597 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -12.140 3.874 -0.533 1.00 0.00 C ATOM 0 H VAL B 853 -12.735 2.236 3.092 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.147 4.742 1.860 1.00 0.00 H new ATOM 0 HB VAL B 853 -11.236 3.357 1.335 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -11.413 1.322 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -12.192 1.143 1.562 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -13.186 1.396 0.108 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -11.319 3.489 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -13.083 3.710 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -11.999 4.942 -0.367 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.243 2.334 0.981 1.00 0.00 N ATOM 1672 CA LEU B 854 -16.515 2.069 0.303 1.00 0.00 C ATOM 1673 C LEU B 854 -17.684 2.830 0.934 1.00 0.00 C ATOM 1674 O LEU B 854 -18.547 3.342 0.221 1.00 0.00 O ATOM 1675 CB LEU B 854 -16.832 0.561 0.286 1.00 0.00 C ATOM 1676 CG LEU B 854 -16.334 -0.245 -0.933 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -17.151 0.064 -2.185 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -14.858 0.009 -1.194 1.00 0.00 C ATOM 0 H LEU B 854 -14.840 1.522 1.450 1.00 0.00 H new ATOM 0 HA LEU B 854 -16.395 2.425 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -16.406 0.115 1.184 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -17.913 0.441 0.353 1.00 0.00 H new ATOM 0 HG LEU B 854 -16.468 -1.300 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -16.771 -0.522 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -18.196 -0.190 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.070 1.125 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -14.536 -0.572 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -14.701 1.069 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.278 -0.288 -0.320 1.00 0.00 H new ATOM 1690 N LYS B 855 -17.715 2.908 2.264 1.00 0.00 N ATOM 1691 CA LYS B 855 -18.902 3.426 2.960 1.00 0.00 C ATOM 1692 C LYS B 855 -19.012 4.951 2.860 1.00 0.00 C ATOM 1693 O LYS B 855 -20.114 5.498 2.898 1.00 0.00 O ATOM 1694 CB LYS B 855 -18.914 2.994 4.439 1.00 0.00 C ATOM 1695 CG LYS B 855 -20.218 3.321 5.175 1.00 0.00 C ATOM 1696 CD LYS B 855 -21.406 2.604 4.549 1.00 0.00 C ATOM 1697 CE LYS B 855 -22.698 2.904 5.292 1.00 0.00 C ATOM 1698 NZ LYS B 855 -23.866 2.216 4.676 1.00 0.00 N ATOM 0 H LYS B 855 -16.949 2.626 2.876 1.00 0.00 H new ATOM 0 HA LYS B 855 -19.768 2.994 2.459 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -18.738 1.920 4.494 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -18.086 3.480 4.955 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -20.128 3.033 6.222 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -20.389 4.397 5.154 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -21.506 2.907 3.507 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -21.225 1.529 4.552 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -22.600 2.592 6.332 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -22.872 3.980 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -24.727 2.446 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -23.976 2.533 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -23.712 1.188 4.694 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.890 5.646 2.725 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.933 7.105 2.681 1.00 0.00 C ATOM 1714 C ASN B 856 -17.994 7.600 1.243 1.00 0.00 C ATOM 1715 O ASN B 856 -17.174 7.210 0.410 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.715 7.708 3.386 1.00 0.00 C ATOM 1717 CG ASN B 856 -16.828 9.213 3.561 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -17.366 9.691 4.554 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -16.311 9.971 2.605 1.00 0.00 N ATOM 0 H ASN B 856 -16.959 5.237 2.646 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.834 7.427 3.203 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -16.597 7.240 4.363 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.817 7.479 2.812 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -16.353 10.987 2.681 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -15.871 9.538 1.793 1.00 0.00 H new ATOM 1726 N THR B 857 -18.964 8.456 0.959 1.00 0.00 N ATOM 1727 CA THR B 857 -19.119 9.031 -0.366 1.00 0.00 C ATOM 1728 C THR B 857 -18.323 10.331 -0.482 1.00 0.00 C ATOM 1729 O THR B 857 -18.538 11.266 0.294 1.00 0.00 O ATOM 1730 CB THR B 857 -20.600 9.318 -0.675 1.00 0.00 C ATOM 1731 OG1 THR B 857 -21.394 8.161 -0.380 1.00 0.00 O ATOM 1732 CG2 THR B 857 -20.787 9.704 -2.136 1.00 0.00 C ATOM 0 H THR B 857 -19.660 8.769 1.636 1.00 0.00 H new ATOM 0 HA THR B 857 -18.740 8.305 -1.086 1.00 0.00 H new ATOM 0 HB THR B 857 -20.922 10.152 -0.051 1.00 0.00 H new ATOM 0 HG1 THR B 857 -22.335 8.351 -0.577 1.00 0.00 H new ATOM 0 HG21 THR B 857 -21.842 9.901 -2.328 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.205 10.600 -2.353 1.00 0.00 H new ATOM 0 HG23 THR B 857 -20.449 8.888 -2.774 1.00 0.00 H new ATOM 1740 N PRO B 858 -17.378 10.396 -1.431 1.00 0.00 N ATOM 1741 CA PRO B 858 -16.571 11.590 -1.663 1.00 0.00 C ATOM 1742 C PRO B 858 -17.266 12.603 -2.574 1.00 0.00 C ATOM 1743 O PRO B 858 -16.917 12.678 -3.771 1.00 0.00 O ATOM 1744 CB PRO B 858 -15.321 11.023 -2.330 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.784 9.804 -3.059 1.00 0.00 C ATOM 1746 CD PRO B 858 -17.015 9.300 -2.346 1.00 0.00 C ATOM 1747 OXT PRO B 858 -18.171 13.314 -2.090 1.00 0.00 O ATOM 0 HA PRO B 858 -16.373 12.144 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -14.878 11.746 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -14.559 10.774 -1.591 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -16.011 10.040 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -15.005 9.042 -3.068 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -17.821 9.084 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -16.810 8.378 -1.802 1.00 0.00 H new TER 1755 PRO B 858