USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 592 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Set 1.2: A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 589 LYS NZ :NH3+ -158:sc= -1.1 (180deg=-1.92!) USER MOD Single : A 594 HIS :FLIP no HD1:sc= -0.108 F(o=-1.1,f=-0.11) USER MOD Single : A 596 THR OG1 : rot 180:sc=-0.00616 USER MOD Single : A 597 GLN : amide:sc= 0.376 K(o=0.38,f=-0.57) USER MOD Single : A 601 SER OG : rot 5:sc= -0.173 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=-0.00092) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 606 LYS NZ :NH3+ -164:sc= -0.0505 (180deg=-0.333) USER MOD Single : A 609 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 614 THR OG1 : rot 46:sc= 0.179 USER MOD Single : A 621 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0893) USER MOD Single : A 625 MET CE :methyl -149:sc= -0.076 (180deg=-0.706) USER MOD Single : A 627 ASN :FLIP amide:sc=-0.00143 F(o=-1.5,f=-0.0014) USER MOD Single : A 631 TYR OH : rot -141:sc= -0.393 USER MOD Single : A 633 LYS NZ :NH3+ 165:sc=-0.00841 (180deg=-0.155) USER MOD Single : A 634 LYS NZ :NH3+ 165:sc= -0.0345 (180deg=-0.248) USER MOD Single : A 639 MET CE :methyl 157:sc= -2.31! (180deg=-3.42!) USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 645 SER OG : rot -4:sc= 0.932 USER MOD Single : A 649 TYR OH : rot 30:sc= -1.34 USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.13) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0907) USER MOD Single : A 661 GLN : amide:sc=-0.00416 K(o=-0.0042,f=-0.75) USER MOD Single : A 662 LYS NZ :NH3+ -136:sc= 0.927 (180deg=-0.0513) USER MOD Single : A 667 LYS NZ :NH3+ 137:sc= 0.842 (180deg=0.0714) USER MOD Single : A 670 SER OG : rot -32:sc= 0.798 USER MOD Single : B 843 ASN : amide:sc= 0.181 X(o=0.18,f=-0.0064) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl 167:sc= -5.35! (180deg=-6.51!) USER MOD Single : B 855 LYS NZ :NH3+ -168:sc= -0.0195 (180deg=-0.176) USER MOD Single : B 856 ASN : amide:sc= -0.0782 X(o=-0.078,f=0) USER MOD Single : B 857 THR OG1 : rot 180:sc=-0.00394 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 27.423 4.794 -2.117 1.00 0.00 N ATOM 2 CA GLY A 586 27.668 4.341 -0.775 1.00 0.00 C ATOM 3 C GLY A 586 29.049 3.757 -0.606 1.00 0.00 C ATOM 4 O GLY A 586 29.344 2.679 -1.127 1.00 0.00 O ATOM 0 HA2 GLY A 586 27.543 5.175 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 586 26.924 3.591 -0.507 1.00 0.00 H new ATOM 8 N VAL A 587 29.899 4.476 0.108 1.00 0.00 N ATOM 9 CA VAL A 587 31.250 4.019 0.387 1.00 0.00 C ATOM 10 C VAL A 587 31.223 2.882 1.391 1.00 0.00 C ATOM 11 O VAL A 587 31.538 1.737 1.073 1.00 0.00 O ATOM 12 CB VAL A 587 32.124 5.160 0.936 1.00 0.00 C ATOM 13 CG1 VAL A 587 33.558 4.694 1.148 1.00 0.00 C ATOM 14 CG2 VAL A 587 32.087 6.361 0.004 1.00 0.00 C ATOM 0 H VAL A 587 29.674 5.387 0.508 1.00 0.00 H new ATOM 0 HA VAL A 587 31.681 3.671 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 587 31.718 5.460 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 587 34.155 5.519 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 587 33.571 3.870 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 587 33.976 4.359 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 587 32.711 7.156 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 587 32.462 6.071 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 587 31.061 6.717 -0.090 1.00 0.00 H new ATOM 24 N ARG A 588 30.837 3.216 2.601 1.00 0.00 N ATOM 25 CA ARG A 588 30.699 2.241 3.664 1.00 0.00 C ATOM 26 C ARG A 588 29.263 2.240 4.161 1.00 0.00 C ATOM 27 O ARG A 588 28.828 1.323 4.859 1.00 0.00 O ATOM 28 CB ARG A 588 31.694 2.554 4.799 1.00 0.00 C ATOM 29 CG ARG A 588 31.415 3.843 5.576 1.00 0.00 C ATOM 30 CD ARG A 588 30.429 3.625 6.717 1.00 0.00 C ATOM 31 NE ARG A 588 30.896 2.604 7.655 1.00 0.00 N ATOM 32 CZ ARG A 588 30.168 2.122 8.663 1.00 0.00 C ATOM 33 NH1 ARG A 588 28.935 2.567 8.875 1.00 0.00 N ATOM 34 NH2 ARG A 588 30.677 1.194 9.463 1.00 0.00 N ATOM 0 H ARG A 588 30.609 4.171 2.878 1.00 0.00 H new ATOM 0 HA ARG A 588 30.932 1.244 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 588 31.694 1.719 5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 588 32.696 2.614 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 588 32.351 4.234 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 588 31.020 4.597 4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 588 30.276 4.564 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 588 29.462 3.329 6.310 1.00 0.00 H new ATOM 0 HE ARG A 588 31.839 2.237 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 588 28.539 3.282 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 588 28.384 2.194 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 588 31.624 0.850 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 588 30.121 0.825 10.234 1.00 0.00 H new ATOM 48 N LYS A 589 28.540 3.291 3.800 1.00 0.00 N ATOM 49 CA LYS A 589 27.126 3.404 4.133 1.00 0.00 C ATOM 50 C LYS A 589 26.287 3.361 2.863 1.00 0.00 C ATOM 51 O LYS A 589 26.184 4.352 2.137 1.00 0.00 O ATOM 52 CB LYS A 589 26.857 4.696 4.917 1.00 0.00 C ATOM 53 CG LYS A 589 25.387 5.085 4.987 1.00 0.00 C ATOM 54 CD LYS A 589 25.190 6.486 5.556 1.00 0.00 C ATOM 55 CE LYS A 589 25.299 7.571 4.486 1.00 0.00 C ATOM 56 NZ LYS A 589 26.673 7.703 3.927 1.00 0.00 N ATOM 0 H LYS A 589 28.912 4.082 3.274 1.00 0.00 H new ATOM 0 HA LYS A 589 26.846 2.561 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 589 27.240 4.580 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 589 27.416 5.511 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 589 24.952 5.035 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 589 24.851 4.365 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 589 24.212 6.547 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 589 25.934 6.668 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 589 24.604 7.346 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 589 24.993 8.526 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 26.788 8.648 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 27.371 7.573 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 26.820 6.980 3.194 1.00 0.00 H new ATOM 70 N GLY A 590 25.723 2.201 2.588 1.00 0.00 N ATOM 71 CA GLY A 590 24.890 2.027 1.429 1.00 0.00 C ATOM 72 C GLY A 590 24.010 0.804 1.554 1.00 0.00 C ATOM 73 O GLY A 590 24.193 -0.183 0.837 1.00 0.00 O ATOM 0 H GLY A 590 25.832 1.364 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 590 24.268 2.911 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 590 25.516 1.936 0.541 1.00 0.00 H new ATOM 77 N TRP A 591 23.065 0.858 2.481 1.00 0.00 N ATOM 78 CA TRP A 591 22.131 -0.244 2.678 1.00 0.00 C ATOM 79 C TRP A 591 20.975 -0.124 1.692 1.00 0.00 C ATOM 80 O TRP A 591 20.662 -1.056 0.956 1.00 0.00 O ATOM 81 CB TRP A 591 21.547 -0.264 4.100 1.00 0.00 C ATOM 82 CG TRP A 591 22.115 0.751 5.052 1.00 0.00 C ATOM 83 CD1 TRP A 591 23.037 0.533 6.036 1.00 0.00 C ATOM 84 CD2 TRP A 591 21.771 2.142 5.128 1.00 0.00 C ATOM 85 NE1 TRP A 591 23.271 1.700 6.727 1.00 0.00 N ATOM 86 CE2 TRP A 591 22.510 2.700 6.184 1.00 0.00 C ATOM 87 CE3 TRP A 591 20.903 2.966 4.409 1.00 0.00 C ATOM 88 CZ2 TRP A 591 22.409 4.047 6.537 1.00 0.00 C ATOM 89 CZ3 TRP A 591 20.805 4.298 4.757 1.00 0.00 C ATOM 90 CH2 TRP A 591 21.555 4.827 5.812 1.00 0.00 C ATOM 0 H TRP A 591 22.924 1.650 3.108 1.00 0.00 H new ATOM 0 HA TRP A 591 22.690 -1.166 2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 591 20.470 -0.109 4.033 1.00 0.00 H new ATOM 0 HB3 TRP A 591 21.701 -1.257 4.522 1.00 0.00 H new ATOM 0 HD1 TRP A 591 23.512 -0.415 6.241 1.00 0.00 H new ATOM 0 HE1 TRP A 591 23.909 1.803 7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 591 20.318 2.567 3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 22.985 4.457 7.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 20.137 4.943 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 591 21.457 5.874 6.058 1.00 0.00 H new ATOM 101 N HIS A 592 20.362 1.053 1.678 1.00 0.00 N ATOM 102 CA HIS A 592 19.126 1.282 0.921 1.00 0.00 C ATOM 103 C HIS A 592 19.369 1.407 -0.571 1.00 0.00 C ATOM 104 O HIS A 592 18.414 1.437 -1.333 1.00 0.00 O ATOM 105 CB HIS A 592 18.400 2.552 1.394 1.00 0.00 C ATOM 106 CG HIS A 592 17.087 2.289 2.061 1.00 0.00 C ATOM 107 ND1 HIS A 592 16.830 2.604 3.377 1.00 0.00 N ATOM 108 CD2 HIS A 592 15.934 1.781 1.567 1.00 0.00 C ATOM 109 CE1 HIS A 592 15.579 2.303 3.661 1.00 0.00 C ATOM 110 NE2 HIS A 592 15.012 1.804 2.581 1.00 0.00 N ATOM 0 H HIS A 592 20.699 1.872 2.184 1.00 0.00 H new ATOM 0 HA HIS A 592 18.507 0.404 1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 592 19.046 3.091 2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 592 18.236 3.205 0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 592 15.771 1.424 0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 592 15.099 2.442 4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 592 14.045 1.487 2.511 1.00 0.00 H new ATOM 119 N GLU A 593 20.629 1.458 -0.991 1.00 0.00 N ATOM 120 CA GLU A 593 20.959 1.803 -2.371 1.00 0.00 C ATOM 121 C GLU A 593 20.219 0.934 -3.394 1.00 0.00 C ATOM 122 O GLU A 593 19.751 1.446 -4.412 1.00 0.00 O ATOM 123 CB GLU A 593 22.468 1.722 -2.610 1.00 0.00 C ATOM 124 CG GLU A 593 23.059 0.334 -2.449 1.00 0.00 C ATOM 125 CD GLU A 593 24.408 0.208 -3.123 1.00 0.00 C ATOM 126 OE1 GLU A 593 25.430 0.520 -2.485 1.00 0.00 O ATOM 127 OE2 GLU A 593 24.449 -0.202 -4.306 1.00 0.00 O ATOM 0 H GLU A 593 21.437 1.266 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 593 20.626 2.831 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 593 22.683 2.080 -3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 593 22.969 2.399 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.161 0.105 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 593 22.374 -0.402 -2.869 1.00 0.00 H new ATOM 134 N HIS A 594 20.136 -0.377 -3.141 1.00 0.00 N ATOM 135 CA HIS A 594 19.424 -1.294 -4.046 1.00 0.00 C ATOM 136 C HIS A 594 17.924 -0.982 -4.183 1.00 0.00 C ATOM 137 O HIS A 594 17.211 -1.693 -4.890 1.00 0.00 O ATOM 138 CB HIS A 594 19.633 -2.769 -3.638 1.00 0.00 C ATOM 139 CG HIS A 594 19.203 -3.114 -2.240 1.00 0.00 C ATOM 140 ND1 HIS A 594 17.977 -3.367 -1.726 1.00 0.00 N flip ATOM 141 CD2 HIS A 594 20.088 -3.262 -1.192 1.00 0.00 C flip ATOM 142 CE1 HIS A 594 18.142 -3.657 -0.396 1.00 0.00 C flip ATOM 143 NE2 HIS A 594 19.424 -3.588 -0.099 1.00 0.00 N flip ATOM 0 H HIS A 594 20.549 -0.827 -2.324 1.00 0.00 H new ATOM 0 HA HIS A 594 19.867 -1.133 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.086 -3.403 -4.336 1.00 0.00 H new ATOM 0 HB3 HIS A 594 20.690 -3.013 -3.746 1.00 0.00 H new ATOM 0 HD2 HIS A 594 21.158 -3.131 -1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 594 17.350 -3.902 0.296 1.00 0.00 H new ATOM 0 HE2 HIS A 594 19.834 -3.758 0.820 1.00 0.00 H new ATOM 152 N VAL A 595 17.444 0.061 -3.510 1.00 0.00 N ATOM 153 CA VAL A 595 16.093 0.565 -3.728 1.00 0.00 C ATOM 154 C VAL A 595 16.126 2.087 -3.791 1.00 0.00 C ATOM 155 O VAL A 595 16.717 2.740 -2.933 1.00 0.00 O ATOM 156 CB VAL A 595 15.112 0.131 -2.608 1.00 0.00 C ATOM 157 CG1 VAL A 595 13.744 0.772 -2.804 1.00 0.00 C ATOM 158 CG2 VAL A 595 14.981 -1.383 -2.554 1.00 0.00 C ATOM 0 H VAL A 595 17.974 0.575 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 595 15.736 0.143 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 595 15.522 0.475 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.074 0.452 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 595 13.844 1.857 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 595 13.333 0.466 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 595 14.287 -1.660 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 595 14.605 -1.750 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 595 15.957 -1.826 -2.354 1.00 0.00 H new ATOM 168 N THR A 596 15.487 2.657 -4.794 1.00 0.00 N ATOM 169 CA THR A 596 15.431 4.098 -4.912 1.00 0.00 C ATOM 170 C THR A 596 14.218 4.641 -4.164 1.00 0.00 C ATOM 171 O THR A 596 13.224 3.930 -3.988 1.00 0.00 O ATOM 172 CB THR A 596 15.415 4.552 -6.393 1.00 0.00 C ATOM 173 OG1 THR A 596 15.185 5.963 -6.488 1.00 0.00 O ATOM 174 CG2 THR A 596 14.359 3.806 -7.195 1.00 0.00 C ATOM 0 H THR A 596 15.003 2.147 -5.533 1.00 0.00 H new ATOM 0 HA THR A 596 16.335 4.507 -4.460 1.00 0.00 H new ATOM 0 HB THR A 596 16.393 4.319 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.180 6.231 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.377 4.150 -8.229 1.00 0.00 H new ATOM 0 HG22 THR A 596 14.568 2.737 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.375 3.996 -6.766 1.00 0.00 H new ATOM 182 N GLN A 597 14.301 5.888 -3.714 1.00 0.00 N ATOM 183 CA GLN A 597 13.209 6.508 -2.973 1.00 0.00 C ATOM 184 C GLN A 597 11.946 6.515 -3.826 1.00 0.00 C ATOM 185 O GLN A 597 10.842 6.264 -3.332 1.00 0.00 O ATOM 186 CB GLN A 597 13.589 7.937 -2.567 1.00 0.00 C ATOM 187 CG GLN A 597 12.486 8.696 -1.844 1.00 0.00 C ATOM 188 CD GLN A 597 12.115 8.073 -0.513 1.00 0.00 C ATOM 189 OE1 GLN A 597 12.695 8.401 0.523 1.00 0.00 O ATOM 190 NE2 GLN A 597 11.136 7.181 -0.528 1.00 0.00 N ATOM 0 H GLN A 597 15.113 6.490 -3.849 1.00 0.00 H new ATOM 0 HA GLN A 597 13.020 5.932 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.469 7.898 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.871 8.493 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.807 9.725 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.602 8.735 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.682 6.937 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 597 10.837 6.738 0.340 1.00 0.00 H new ATOM 199 N ASP A 598 12.142 6.784 -5.111 1.00 0.00 N ATOM 200 CA ASP A 598 11.047 6.849 -6.070 1.00 0.00 C ATOM 201 C ASP A 598 10.302 5.524 -6.142 1.00 0.00 C ATOM 202 O ASP A 598 9.080 5.509 -6.224 1.00 0.00 O ATOM 203 CB ASP A 598 11.561 7.232 -7.458 1.00 0.00 C ATOM 204 CG ASP A 598 10.447 7.301 -8.485 1.00 0.00 C ATOM 205 OD1 ASP A 598 9.674 8.282 -8.465 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.345 6.380 -9.324 1.00 0.00 O ATOM 0 H ASP A 598 13.061 6.963 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 598 10.355 7.618 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.062 8.198 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.305 6.504 -7.781 1.00 0.00 H new ATOM 211 N LEU A 599 11.041 4.415 -6.113 1.00 0.00 N ATOM 212 CA LEU A 599 10.437 3.091 -6.134 1.00 0.00 C ATOM 213 C LEU A 599 9.450 2.938 -4.988 1.00 0.00 C ATOM 214 O LEU A 599 8.304 2.540 -5.190 1.00 0.00 O ATOM 215 CB LEU A 599 11.515 2.005 -6.022 1.00 0.00 C ATOM 216 CG LEU A 599 11.024 0.591 -6.324 1.00 0.00 C ATOM 217 CD1 LEU A 599 10.499 0.528 -7.742 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.135 -0.428 -6.115 1.00 0.00 C ATOM 0 H LEU A 599 12.060 4.412 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 599 9.910 2.977 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.329 2.247 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 599 11.929 2.025 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 599 10.217 0.345 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.149 -0.482 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 599 9.673 1.230 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.296 0.790 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 599 11.759 -1.427 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 599 12.969 -0.198 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.474 -0.390 -5.080 1.00 0.00 H new ATOM 230 N ARG A 600 9.900 3.283 -3.790 1.00 0.00 N ATOM 231 CA ARG A 600 9.074 3.150 -2.601 1.00 0.00 C ATOM 232 C ARG A 600 7.855 4.057 -2.671 1.00 0.00 C ATOM 233 O ARG A 600 6.734 3.606 -2.462 1.00 0.00 O ATOM 234 CB ARG A 600 9.886 3.438 -1.338 1.00 0.00 C ATOM 235 CG ARG A 600 10.958 2.396 -1.068 1.00 0.00 C ATOM 236 CD ARG A 600 11.517 2.514 0.338 1.00 0.00 C ATOM 237 NE ARG A 600 12.327 3.717 0.522 1.00 0.00 N ATOM 238 CZ ARG A 600 12.059 4.665 1.421 1.00 0.00 C ATOM 239 NH1 ARG A 600 10.922 4.644 2.104 1.00 0.00 N ATOM 240 NH2 ARG A 600 12.911 5.663 1.605 1.00 0.00 N ATOM 0 H ARG A 600 10.833 3.657 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 600 8.723 2.119 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.355 4.418 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.212 3.487 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.540 1.399 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 600 11.766 2.510 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 600 10.694 2.522 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.123 1.635 0.559 1.00 0.00 H new ATOM 0 HE ARG A 600 13.146 3.839 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 600 10.244 3.899 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 600 10.725 5.373 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 600 13.772 5.706 1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 600 12.706 6.388 2.292 1.00 0.00 H new ATOM 254 N SER A 601 8.065 5.326 -2.999 1.00 0.00 N ATOM 255 CA SER A 601 6.965 6.275 -3.063 1.00 0.00 C ATOM 256 C SER A 601 5.990 5.892 -4.176 1.00 0.00 C ATOM 257 O SER A 601 4.772 5.977 -4.002 1.00 0.00 O ATOM 258 CB SER A 601 7.499 7.699 -3.256 1.00 0.00 C ATOM 259 OG SER A 601 8.445 7.757 -4.310 1.00 0.00 O ATOM 0 H SER A 601 8.980 5.718 -3.223 1.00 0.00 H new ATOM 0 HA SER A 601 6.421 6.245 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.671 8.374 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 601 7.961 8.045 -2.331 1.00 0.00 H new ATOM 0 HG SER A 601 8.497 6.883 -4.751 1.00 0.00 H new ATOM 265 N HIS A 602 6.535 5.451 -5.311 1.00 0.00 N ATOM 266 CA HIS A 602 5.717 5.034 -6.448 1.00 0.00 C ATOM 267 C HIS A 602 4.814 3.870 -6.050 1.00 0.00 C ATOM 268 O HIS A 602 3.608 3.891 -6.299 1.00 0.00 O ATOM 269 CB HIS A 602 6.596 4.626 -7.639 1.00 0.00 C ATOM 270 CG HIS A 602 5.863 4.601 -8.945 1.00 0.00 C ATOM 271 ND1 HIS A 602 5.791 3.484 -9.748 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.180 5.572 -9.595 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.096 3.769 -10.833 1.00 0.00 C ATOM 274 NE2 HIS A 602 4.713 5.028 -10.764 1.00 0.00 N ATOM 0 H HIS A 602 7.540 5.374 -5.466 1.00 0.00 H new ATOM 0 HA HIS A 602 5.101 5.881 -6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.434 5.319 -7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.016 3.638 -7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.031 6.586 -9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 602 4.878 3.086 -11.641 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.159 5.518 -11.466 1.00 0.00 H new ATOM 283 N LEU A 603 5.410 2.859 -5.428 1.00 0.00 N ATOM 284 CA LEU A 603 4.672 1.681 -4.984 1.00 0.00 C ATOM 285 C LEU A 603 3.669 2.023 -3.889 1.00 0.00 C ATOM 286 O LEU A 603 2.565 1.484 -3.868 1.00 0.00 O ATOM 287 CB LEU A 603 5.624 0.575 -4.523 1.00 0.00 C ATOM 288 CG LEU A 603 6.582 0.070 -5.607 1.00 0.00 C ATOM 289 CD1 LEU A 603 7.577 -0.926 -5.034 1.00 0.00 C ATOM 290 CD2 LEU A 603 5.802 -0.560 -6.751 1.00 0.00 C ATOM 0 H LEU A 603 6.408 2.831 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 603 4.110 1.311 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.210 0.945 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.034 -0.265 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 603 7.140 0.924 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.245 -1.269 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.161 -0.446 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.040 -1.778 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 603 6.496 -0.914 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.218 -1.400 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.132 0.182 -7.187 1.00 0.00 H new ATOM 302 N VAL A 604 4.048 2.918 -2.983 1.00 0.00 N ATOM 303 CA VAL A 604 3.161 3.315 -1.895 1.00 0.00 C ATOM 304 C VAL A 604 1.919 4.010 -2.449 1.00 0.00 C ATOM 305 O VAL A 604 0.796 3.718 -2.036 1.00 0.00 O ATOM 306 CB VAL A 604 3.868 4.239 -0.875 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.859 4.915 0.041 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.870 3.448 -0.045 1.00 0.00 C ATOM 0 H VAL A 604 4.957 3.380 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 604 2.867 2.405 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 604 4.398 5.010 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.383 5.558 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.171 5.515 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.299 4.157 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.358 4.113 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.351 2.656 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.620 3.007 -0.702 1.00 0.00 H new ATOM 318 N HIS A 605 2.119 4.922 -3.398 1.00 0.00 N ATOM 319 CA HIS A 605 0.993 5.596 -4.043 1.00 0.00 C ATOM 320 C HIS A 605 0.163 4.593 -4.828 1.00 0.00 C ATOM 321 O HIS A 605 -1.058 4.672 -4.836 1.00 0.00 O ATOM 322 CB HIS A 605 1.444 6.734 -4.966 1.00 0.00 C ATOM 323 CG HIS A 605 2.153 7.847 -4.257 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.297 8.447 -4.739 1.00 0.00 N ATOM 325 CD2 HIS A 605 1.862 8.479 -3.096 1.00 0.00 C ATOM 326 CE1 HIS A 605 3.679 9.396 -3.906 1.00 0.00 C ATOM 327 NE2 HIS A 605 2.825 9.436 -2.902 1.00 0.00 N ATOM 0 H HIS A 605 3.038 5.209 -3.735 1.00 0.00 H new ATOM 0 HA HIS A 605 0.388 6.038 -3.252 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.103 6.327 -5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.572 7.140 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 605 1.027 8.269 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.544 10.032 -4.026 1.00 0.00 H new ATOM 0 HE2 HIS A 605 2.873 10.076 -2.109 1.00 0.00 H new ATOM 336 N LYS A 606 0.840 3.656 -5.494 1.00 0.00 N ATOM 337 CA LYS A 606 0.165 2.572 -6.203 1.00 0.00 C ATOM 338 C LYS A 606 -0.721 1.775 -5.247 1.00 0.00 C ATOM 339 O LYS A 606 -1.841 1.405 -5.589 1.00 0.00 O ATOM 340 CB LYS A 606 1.194 1.641 -6.857 1.00 0.00 C ATOM 341 CG LYS A 606 0.582 0.397 -7.488 1.00 0.00 C ATOM 342 CD LYS A 606 1.646 -0.539 -8.044 1.00 0.00 C ATOM 343 CE LYS A 606 2.315 0.033 -9.284 1.00 0.00 C ATOM 344 NZ LYS A 606 1.354 0.199 -10.407 1.00 0.00 N ATOM 0 H LYS A 606 1.858 3.628 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.462 3.010 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.738 2.195 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.923 1.335 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -0.014 -0.132 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -0.096 0.692 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 606 2.400 -0.727 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 606 1.193 -1.500 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.762 0.998 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 606 3.126 -0.625 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 1.878 0.327 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 0.753 -0.647 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 0.758 1.033 -10.233 1.00 0.00 H new ATOM 358 N LEU A 607 -0.204 1.523 -4.050 1.00 0.00 N ATOM 359 CA LEU A 607 -0.942 0.802 -3.022 1.00 0.00 C ATOM 360 C LEU A 607 -2.203 1.578 -2.648 1.00 0.00 C ATOM 361 O LEU A 607 -3.302 1.022 -2.628 1.00 0.00 O ATOM 362 CB LEU A 607 -0.032 0.597 -1.800 1.00 0.00 C ATOM 363 CG LEU A 607 -0.507 -0.414 -0.750 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.674 -0.886 0.081 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.561 0.195 0.162 1.00 0.00 C ATOM 0 H LEU A 607 0.733 1.811 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.248 -0.175 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.949 0.283 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.100 1.561 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.953 -1.261 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.331 -1.604 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.410 -1.360 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 607 1.130 -0.033 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -1.879 -0.545 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.141 1.059 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.419 0.508 -0.432 1.00 0.00 H new ATOM 377 N VAL A 608 -2.034 2.868 -2.367 1.00 0.00 N ATOM 378 CA VAL A 608 -3.162 3.754 -2.093 1.00 0.00 C ATOM 379 C VAL A 608 -4.132 3.794 -3.277 1.00 0.00 C ATOM 380 O VAL A 608 -5.341 3.660 -3.108 1.00 0.00 O ATOM 381 CB VAL A 608 -2.684 5.190 -1.779 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.865 6.122 -1.546 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.760 5.192 -0.572 1.00 0.00 C ATOM 0 H VAL A 608 -1.123 3.324 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.678 3.353 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 608 -2.130 5.556 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.499 7.125 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.488 6.150 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.454 5.759 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.433 6.211 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.292 4.799 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.891 4.567 -0.778 1.00 0.00 H new ATOM 393 N GLN A 609 -3.581 3.968 -4.472 1.00 0.00 N ATOM 394 CA GLN A 609 -4.369 4.044 -5.701 1.00 0.00 C ATOM 395 C GLN A 609 -5.167 2.762 -5.925 1.00 0.00 C ATOM 396 O GLN A 609 -6.310 2.804 -6.376 1.00 0.00 O ATOM 397 CB GLN A 609 -3.452 4.320 -6.893 1.00 0.00 C ATOM 398 CG GLN A 609 -4.177 4.417 -8.225 1.00 0.00 C ATOM 399 CD GLN A 609 -3.250 4.827 -9.350 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.619 3.986 -9.990 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.165 6.122 -9.606 1.00 0.00 N ATOM 0 H GLN A 609 -2.576 4.061 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.080 4.865 -5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.914 5.251 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.706 3.528 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.630 3.454 -8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.989 5.140 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.704 6.788 -9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -2.560 6.455 -10.357 1.00 0.00 H new ATOM 410 N ALA A 610 -4.554 1.625 -5.625 1.00 0.00 N ATOM 411 CA ALA A 610 -5.237 0.342 -5.697 1.00 0.00 C ATOM 412 C ALA A 610 -6.480 0.352 -4.818 1.00 0.00 C ATOM 413 O ALA A 610 -7.523 -0.191 -5.184 1.00 0.00 O ATOM 414 CB ALA A 610 -4.303 -0.782 -5.282 1.00 0.00 C ATOM 0 H ALA A 610 -3.580 1.566 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.544 0.172 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.830 -1.734 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.440 -0.803 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -3.967 -0.617 -4.258 1.00 0.00 H new ATOM 420 N ILE A 611 -6.357 0.982 -3.661 1.00 0.00 N ATOM 421 CA ILE A 611 -7.460 1.070 -2.714 1.00 0.00 C ATOM 422 C ILE A 611 -8.478 2.124 -3.169 1.00 0.00 C ATOM 423 O ILE A 611 -9.680 1.965 -2.951 1.00 0.00 O ATOM 424 CB ILE A 611 -6.951 1.404 -1.260 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.015 0.302 -0.707 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.107 1.651 -0.287 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.045 0.812 0.336 1.00 0.00 C ATOM 0 H ILE A 611 -5.501 1.442 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 611 -7.945 0.094 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.378 2.327 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.619 -0.495 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.454 -0.137 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.708 1.877 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.705 2.492 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.732 0.760 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.418 -0.010 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.417 1.589 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.600 1.225 1.178 1.00 0.00 H new ATOM 439 N PHE A 612 -8.009 3.169 -3.843 1.00 0.00 N ATOM 440 CA PHE A 612 -8.873 4.273 -4.234 1.00 0.00 C ATOM 441 C PHE A 612 -8.280 4.991 -5.448 1.00 0.00 C ATOM 442 O PHE A 612 -7.389 5.829 -5.312 1.00 0.00 O ATOM 443 CB PHE A 612 -9.046 5.235 -3.052 1.00 0.00 C ATOM 444 CG PHE A 612 -10.149 6.242 -3.231 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.407 5.849 -3.664 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.927 7.580 -2.960 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.419 6.776 -3.825 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.936 8.510 -3.117 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.183 8.109 -3.552 1.00 0.00 C ATOM 0 H PHE A 612 -7.035 3.273 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.855 3.891 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.243 4.654 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.108 5.766 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.597 4.808 -3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.953 7.901 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.394 6.458 -4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.749 9.551 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.972 8.836 -3.679 1.00 0.00 H new ATOM 459 N PRO A 613 -8.763 4.655 -6.658 1.00 0.00 N ATOM 460 CA PRO A 613 -8.155 5.132 -7.911 1.00 0.00 C ATOM 461 C PRO A 613 -8.577 6.550 -8.299 1.00 0.00 C ATOM 462 O PRO A 613 -7.793 7.291 -8.889 1.00 0.00 O ATOM 463 CB PRO A 613 -8.668 4.126 -8.948 1.00 0.00 C ATOM 464 CG PRO A 613 -9.982 3.642 -8.406 1.00 0.00 C ATOM 465 CD PRO A 613 -9.927 3.769 -6.899 1.00 0.00 C ATOM 0 HA PRO A 613 -7.070 5.188 -7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.793 4.595 -9.924 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.967 3.301 -9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.804 4.232 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.159 2.607 -8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.846 4.199 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.796 2.798 -6.421 1.00 0.00 H new ATOM 473 N THR A 614 -9.811 6.917 -7.981 1.00 0.00 N ATOM 474 CA THR A 614 -10.346 8.218 -8.364 1.00 0.00 C ATOM 475 C THR A 614 -9.781 9.332 -7.482 1.00 0.00 C ATOM 476 O THR A 614 -10.082 9.395 -6.288 1.00 0.00 O ATOM 477 CB THR A 614 -11.886 8.221 -8.289 1.00 0.00 C ATOM 478 OG1 THR A 614 -12.312 7.664 -7.037 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.479 7.417 -9.437 1.00 0.00 C ATOM 0 H THR A 614 -10.462 6.331 -7.458 1.00 0.00 H new ATOM 0 HA THR A 614 -10.042 8.406 -9.394 1.00 0.00 H new ATOM 0 HB THR A 614 -12.236 9.250 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.780 8.049 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.567 7.431 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.171 7.856 -10.386 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.125 6.388 -9.381 1.00 0.00 H new ATOM 487 N PRO A 615 -8.945 10.220 -8.053 1.00 0.00 N ATOM 488 CA PRO A 615 -8.322 11.320 -7.312 1.00 0.00 C ATOM 489 C PRO A 615 -9.277 12.494 -7.115 1.00 0.00 C ATOM 490 O PRO A 615 -9.316 13.423 -7.926 1.00 0.00 O ATOM 491 CB PRO A 615 -7.139 11.742 -8.205 1.00 0.00 C ATOM 492 CG PRO A 615 -7.119 10.762 -9.347 1.00 0.00 C ATOM 493 CD PRO A 615 -8.526 10.241 -9.461 1.00 0.00 C ATOM 0 HA PRO A 615 -8.025 11.013 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.267 12.762 -8.567 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -6.201 11.716 -7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.804 11.245 -10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.416 9.952 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.157 10.892 -10.067 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.561 9.250 -9.914 1.00 0.00 H new ATOM 501 N ASP A 616 -10.042 12.447 -6.039 1.00 0.00 N ATOM 502 CA ASP A 616 -10.971 13.526 -5.707 1.00 0.00 C ATOM 503 C ASP A 616 -10.224 14.648 -4.993 1.00 0.00 C ATOM 504 O ASP A 616 -9.579 14.416 -3.972 1.00 0.00 O ATOM 505 CB ASP A 616 -12.112 13.011 -4.814 1.00 0.00 C ATOM 506 CG ASP A 616 -13.081 14.111 -4.431 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.906 14.512 -5.278 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.026 14.577 -3.278 1.00 0.00 O ATOM 0 H ASP A 616 -10.042 11.673 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.403 13.906 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.651 12.220 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.692 12.568 -3.911 1.00 0.00 H new ATOM 513 N PRO A 617 -10.294 15.880 -5.537 1.00 0.00 N ATOM 514 CA PRO A 617 -9.551 17.034 -5.009 1.00 0.00 C ATOM 515 C PRO A 617 -9.865 17.342 -3.547 1.00 0.00 C ATOM 516 O PRO A 617 -9.025 17.897 -2.838 1.00 0.00 O ATOM 517 CB PRO A 617 -9.992 18.208 -5.906 1.00 0.00 C ATOM 518 CG PRO A 617 -11.223 17.736 -6.598 1.00 0.00 C ATOM 519 CD PRO A 617 -11.086 16.244 -6.725 1.00 0.00 C ATOM 0 HA PRO A 617 -8.478 16.842 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.192 19.101 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.214 18.469 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.115 17.998 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.322 18.203 -7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.057 15.749 -6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.580 15.963 -7.649 1.00 0.00 H new ATOM 527 N ALA A 618 -11.064 16.990 -3.095 1.00 0.00 N ATOM 528 CA ALA A 618 -11.448 17.228 -1.713 1.00 0.00 C ATOM 529 C ALA A 618 -10.959 16.093 -0.823 1.00 0.00 C ATOM 530 O ALA A 618 -10.296 16.329 0.185 1.00 0.00 O ATOM 531 CB ALA A 618 -12.957 17.386 -1.597 1.00 0.00 C ATOM 0 H ALA A 618 -11.782 16.541 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 618 -10.980 18.154 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.225 17.563 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.282 18.231 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.446 16.477 -1.948 1.00 0.00 H new ATOM 537 N ALA A 619 -11.286 14.862 -1.207 1.00 0.00 N ATOM 538 CA ALA A 619 -10.853 13.675 -0.469 1.00 0.00 C ATOM 539 C ALA A 619 -9.333 13.610 -0.352 1.00 0.00 C ATOM 540 O ALA A 619 -8.801 13.067 0.614 1.00 0.00 O ATOM 541 CB ALA A 619 -11.383 12.416 -1.139 1.00 0.00 C ATOM 0 H ALA A 619 -11.853 14.658 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.262 13.743 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.054 11.540 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.472 12.445 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.003 12.359 -2.159 1.00 0.00 H new ATOM 547 N LEU A 620 -8.643 14.176 -1.337 1.00 0.00 N ATOM 548 CA LEU A 620 -7.184 14.230 -1.327 1.00 0.00 C ATOM 549 C LEU A 620 -6.692 15.032 -0.122 1.00 0.00 C ATOM 550 O LEU A 620 -5.631 14.758 0.440 1.00 0.00 O ATOM 551 CB LEU A 620 -6.674 14.873 -2.622 1.00 0.00 C ATOM 552 CG LEU A 620 -5.612 14.077 -3.394 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.396 13.794 -2.523 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.198 12.780 -3.934 1.00 0.00 C ATOM 0 H LEU A 620 -9.073 14.606 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.797 13.213 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.526 15.040 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.261 15.852 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.287 14.686 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.661 13.229 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -3.955 14.736 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.700 13.214 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.429 12.232 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.560 12.172 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -7.025 13.007 -4.606 1.00 0.00 H new ATOM 566 N LYS A 621 -7.485 16.019 0.271 1.00 0.00 N ATOM 567 CA LYS A 621 -7.142 16.887 1.391 1.00 0.00 C ATOM 568 C LYS A 621 -7.864 16.441 2.660 1.00 0.00 C ATOM 569 O LYS A 621 -7.954 17.192 3.631 1.00 0.00 O ATOM 570 CB LYS A 621 -7.521 18.340 1.077 1.00 0.00 C ATOM 571 CG LYS A 621 -6.993 18.843 -0.256 1.00 0.00 C ATOM 572 CD LYS A 621 -7.308 20.315 -0.460 1.00 0.00 C ATOM 573 CE LYS A 621 -7.117 20.729 -1.909 1.00 0.00 C ATOM 574 NZ LYS A 621 -5.775 20.355 -2.425 1.00 0.00 N ATOM 0 H LYS A 621 -8.377 16.240 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.066 16.820 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.607 18.431 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.143 18.983 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.915 18.691 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.432 18.260 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -8.336 20.514 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.664 20.918 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -7.885 20.260 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -7.252 21.807 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -5.602 20.841 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -5.048 20.635 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -5.734 19.326 -2.572 1.00 0.00 H new ATOM 588 N ASP A 622 -8.375 15.220 2.650 1.00 0.00 N ATOM 589 CA ASP A 622 -9.159 14.709 3.769 1.00 0.00 C ATOM 590 C ASP A 622 -8.306 13.797 4.650 1.00 0.00 C ATOM 591 O ASP A 622 -7.544 12.964 4.153 1.00 0.00 O ATOM 592 CB ASP A 622 -10.396 13.958 3.256 1.00 0.00 C ATOM 593 CG ASP A 622 -11.229 13.389 4.383 1.00 0.00 C ATOM 594 OD1 ASP A 622 -12.031 14.145 4.972 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.089 12.193 4.689 1.00 0.00 O ATOM 0 H ASP A 622 -8.262 14.562 1.879 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.492 15.554 4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.008 14.635 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.080 13.150 2.596 1.00 0.00 H new ATOM 600 N ARG A 623 -8.446 13.976 5.969 1.00 0.00 N ATOM 601 CA ARG A 623 -7.678 13.224 6.958 1.00 0.00 C ATOM 602 C ARG A 623 -7.838 11.713 6.797 1.00 0.00 C ATOM 603 O ARG A 623 -6.877 10.971 6.998 1.00 0.00 O ATOM 604 CB ARG A 623 -8.075 13.628 8.381 1.00 0.00 C ATOM 605 CG ARG A 623 -7.701 15.056 8.757 1.00 0.00 C ATOM 606 CD ARG A 623 -6.209 15.311 8.607 1.00 0.00 C ATOM 607 NE ARG A 623 -5.826 16.616 9.144 1.00 0.00 N ATOM 608 CZ ARG A 623 -4.715 17.272 8.812 1.00 0.00 C ATOM 609 NH1 ARG A 623 -3.866 16.766 7.926 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.452 18.444 9.374 1.00 0.00 N ATOM 0 H ARG A 623 -9.096 14.648 6.377 1.00 0.00 H new ATOM 0 HA ARG A 623 -6.631 13.472 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.152 13.506 8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -7.602 12.944 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.253 15.753 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.001 15.250 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -5.653 14.528 9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -5.935 15.256 7.553 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.452 17.054 9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.061 15.864 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.019 17.279 7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.099 18.839 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -3.603 18.951 9.124 1.00 0.00 H new ATOM 624 N ARG A 624 -9.044 11.252 6.462 1.00 0.00 N ATOM 625 CA ARG A 624 -9.308 9.822 6.370 1.00 0.00 C ATOM 626 C ARG A 624 -8.436 9.191 5.293 1.00 0.00 C ATOM 627 O ARG A 624 -7.897 8.098 5.479 1.00 0.00 O ATOM 628 CB ARG A 624 -10.783 9.559 6.074 1.00 0.00 C ATOM 629 CG ARG A 624 -11.240 8.159 6.448 1.00 0.00 C ATOM 630 CD ARG A 624 -12.699 7.931 6.089 1.00 0.00 C ATOM 631 NE ARG A 624 -13.563 9.020 6.549 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.822 8.856 6.958 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.354 7.641 7.027 1.00 0.00 N ATOM 634 NH2 ARG A 624 -15.549 9.912 7.305 1.00 0.00 N ATOM 0 H ARG A 624 -9.846 11.846 6.252 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.065 9.369 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.388 10.286 6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.966 9.720 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.620 7.424 5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.100 8.004 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.793 7.828 5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.036 6.992 6.529 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.178 9.964 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.799 6.826 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.317 7.523 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -15.144 10.847 7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.512 9.788 7.618 1.00 0.00 H new ATOM 648 N MET A 625 -8.284 9.888 4.169 1.00 0.00 N ATOM 649 CA MET A 625 -7.389 9.426 3.119 1.00 0.00 C ATOM 650 C MET A 625 -5.949 9.411 3.624 1.00 0.00 C ATOM 651 O MET A 625 -5.193 8.487 3.329 1.00 0.00 O ATOM 652 CB MET A 625 -7.508 10.267 1.837 1.00 0.00 C ATOM 653 CG MET A 625 -6.399 9.972 0.825 1.00 0.00 C ATOM 654 SD MET A 625 -6.540 10.939 -0.691 1.00 0.00 S ATOM 655 CE MET A 625 -8.055 10.275 -1.376 1.00 0.00 C ATOM 0 H MET A 625 -8.764 10.765 3.966 1.00 0.00 H new ATOM 0 HA MET A 625 -7.687 8.410 2.859 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.476 10.077 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.482 11.325 2.099 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.432 10.173 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.418 8.911 0.574 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.011 10.316 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.176 9.240 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.902 10.864 -1.024 1.00 0.00 H new ATOM 665 N GLU A 626 -5.584 10.419 4.414 1.00 0.00 N ATOM 666 CA GLU A 626 -4.228 10.538 4.927 1.00 0.00 C ATOM 667 C GLU A 626 -3.894 9.361 5.836 1.00 0.00 C ATOM 668 O GLU A 626 -2.772 8.855 5.817 1.00 0.00 O ATOM 669 CB GLU A 626 -4.048 11.859 5.673 1.00 0.00 C ATOM 670 CG GLU A 626 -4.298 13.082 4.805 1.00 0.00 C ATOM 671 CD GLU A 626 -3.982 14.379 5.518 1.00 0.00 C ATOM 672 OE1 GLU A 626 -3.778 14.349 6.749 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.916 15.431 4.849 1.00 0.00 O ATOM 0 H GLU A 626 -6.213 11.165 4.711 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.540 10.526 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -4.728 11.882 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.035 11.907 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -3.692 13.012 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.341 13.091 4.489 1.00 0.00 H new ATOM 680 N ASN A 627 -4.871 8.936 6.635 1.00 0.00 N ATOM 681 CA ASN A 627 -4.705 7.762 7.495 1.00 0.00 C ATOM 682 C ASN A 627 -4.402 6.533 6.651 1.00 0.00 C ATOM 683 O ASN A 627 -3.564 5.707 7.012 1.00 0.00 O ATOM 684 CB ASN A 627 -5.962 7.492 8.332 1.00 0.00 C ATOM 685 CG ASN A 627 -6.153 8.457 9.496 1.00 0.00 C ATOM 686 OD1 ASN A 627 -5.660 9.678 9.362 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -6.750 8.101 10.515 1.00 0.00 N flip ATOM 0 H ASN A 627 -5.784 9.385 6.706 1.00 0.00 H new ATOM 0 HA ASN A 627 -3.875 7.968 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -6.836 7.545 7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -5.915 6.475 8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.118 7.152 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -6.876 8.755 11.287 1.00 0.00 H new ATOM 694 N LEU A 628 -5.091 6.424 5.519 1.00 0.00 N ATOM 695 CA LEU A 628 -4.889 5.298 4.603 1.00 0.00 C ATOM 696 C LEU A 628 -3.497 5.387 3.975 1.00 0.00 C ATOM 697 O LEU A 628 -2.810 4.378 3.823 1.00 0.00 O ATOM 698 CB LEU A 628 -6.011 5.236 3.536 1.00 0.00 C ATOM 699 CG LEU A 628 -5.577 5.316 2.065 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.027 3.981 1.590 1.00 0.00 C ATOM 701 CD2 LEU A 628 -6.742 5.747 1.186 1.00 0.00 C ATOM 0 H LEU A 628 -5.793 7.097 5.212 1.00 0.00 H new ATOM 0 HA LEU A 628 -4.946 4.366 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.562 4.306 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -6.708 6.052 3.729 1.00 0.00 H new ATOM 0 HG LEU A 628 -4.786 6.062 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -4.726 4.062 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.163 3.707 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.796 3.215 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -6.415 5.798 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.553 5.024 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -7.094 6.728 1.504 1.00 0.00 H new ATOM 713 N VAL A 629 -3.075 6.603 3.632 1.00 0.00 N ATOM 714 CA VAL A 629 -1.756 6.813 3.045 1.00 0.00 C ATOM 715 C VAL A 629 -0.673 6.442 4.055 1.00 0.00 C ATOM 716 O VAL A 629 0.321 5.798 3.716 1.00 0.00 O ATOM 717 CB VAL A 629 -1.558 8.276 2.583 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.170 8.475 1.993 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.622 8.668 1.569 1.00 0.00 C ATOM 0 H VAL A 629 -3.626 7.453 3.750 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.679 6.172 2.167 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.656 8.920 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.055 9.511 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.582 8.240 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.042 7.816 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.465 9.700 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.556 8.013 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.609 8.572 2.022 1.00 0.00 H new ATOM 729 N ALA A 630 -0.886 6.842 5.304 1.00 0.00 N ATOM 730 CA ALA A 630 0.009 6.477 6.392 1.00 0.00 C ATOM 731 C ALA A 630 0.029 4.958 6.572 1.00 0.00 C ATOM 732 O ALA A 630 1.078 4.366 6.836 1.00 0.00 O ATOM 733 CB ALA A 630 -0.392 7.190 7.681 1.00 0.00 C ATOM 0 H ALA A 630 -1.676 7.422 5.587 1.00 0.00 H new ATOM 0 HA ALA A 630 1.020 6.799 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 630 0.289 6.904 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.343 8.268 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.409 6.908 7.952 1.00 0.00 H new ATOM 739 N TYR A 631 -1.139 4.334 6.416 1.00 0.00 N ATOM 740 CA TYR A 631 -1.257 2.877 6.487 1.00 0.00 C ATOM 741 C TYR A 631 -0.405 2.220 5.396 1.00 0.00 C ATOM 742 O TYR A 631 0.222 1.186 5.626 1.00 0.00 O ATOM 743 CB TYR A 631 -2.723 2.429 6.358 1.00 0.00 C ATOM 744 CG TYR A 631 -2.963 1.002 6.787 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.943 0.659 8.131 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.226 0.006 5.859 1.00 0.00 C ATOM 747 CE1 TYR A 631 -3.173 -0.639 8.539 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.456 -1.296 6.259 1.00 0.00 C ATOM 749 CZ TYR A 631 -3.429 -1.611 7.600 1.00 0.00 C ATOM 750 OH TYR A 631 -3.665 -2.903 8.002 1.00 0.00 O ATOM 0 H TYR A 631 -2.020 4.817 6.239 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.891 2.558 7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.349 3.089 6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.039 2.545 5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.744 1.421 8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.251 0.252 4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -3.152 -0.890 9.589 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.656 -2.063 5.525 1.00 0.00 H new ATOM 0 HH TYR A 631 -3.236 -3.524 7.376 1.00 0.00 H new ATOM 760 N ALA A 632 -0.386 2.827 4.208 1.00 0.00 N ATOM 761 CA ALA A 632 0.424 2.322 3.101 1.00 0.00 C ATOM 762 C ALA A 632 1.909 2.362 3.461 1.00 0.00 C ATOM 763 O ALA A 632 2.654 1.430 3.161 1.00 0.00 O ATOM 764 CB ALA A 632 0.156 3.119 1.827 1.00 0.00 C ATOM 0 H ALA A 632 -0.921 3.667 3.989 1.00 0.00 H new ATOM 0 HA ALA A 632 0.143 1.285 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.769 2.726 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.897 3.034 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.404 4.167 1.995 1.00 0.00 H new ATOM 770 N LYS A 633 2.334 3.441 4.116 1.00 0.00 N ATOM 771 CA LYS A 633 3.704 3.550 4.612 1.00 0.00 C ATOM 772 C LYS A 633 3.980 2.496 5.678 1.00 0.00 C ATOM 773 O LYS A 633 5.078 1.946 5.753 1.00 0.00 O ATOM 774 CB LYS A 633 3.966 4.944 5.191 1.00 0.00 C ATOM 775 CG LYS A 633 4.847 5.826 4.315 1.00 0.00 C ATOM 776 CD LYS A 633 4.202 6.092 2.966 1.00 0.00 C ATOM 777 CE LYS A 633 3.074 7.107 3.065 1.00 0.00 C ATOM 778 NZ LYS A 633 3.579 8.477 3.339 1.00 0.00 N ATOM 0 H LYS A 633 1.749 4.252 4.315 1.00 0.00 H new ATOM 0 HA LYS A 633 4.374 3.385 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 633 3.011 5.445 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.435 4.837 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 633 5.035 6.772 4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.814 5.345 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.957 6.455 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.815 5.158 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.506 7.110 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.387 6.809 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.826 9.169 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.871 8.547 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.394 8.676 2.725 1.00 0.00 H new ATOM 792 N LYS A 634 2.990 2.251 6.526 1.00 0.00 N ATOM 793 CA LYS A 634 3.085 1.207 7.540 1.00 0.00 C ATOM 794 C LYS A 634 3.376 -0.141 6.882 1.00 0.00 C ATOM 795 O LYS A 634 4.239 -0.895 7.339 1.00 0.00 O ATOM 796 CB LYS A 634 1.786 1.142 8.347 1.00 0.00 C ATOM 797 CG LYS A 634 1.826 0.159 9.502 1.00 0.00 C ATOM 798 CD LYS A 634 0.536 0.201 10.303 1.00 0.00 C ATOM 799 CE LYS A 634 0.599 -0.723 11.506 1.00 0.00 C ATOM 800 NZ LYS A 634 1.660 -0.320 12.466 1.00 0.00 N ATOM 0 H LYS A 634 2.108 2.763 6.532 1.00 0.00 H new ATOM 0 HA LYS A 634 3.905 1.444 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.562 2.135 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 634 0.969 0.869 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.987 -0.849 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.669 0.392 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 634 0.346 1.221 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 634 -0.300 -0.087 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 634 -0.366 -0.724 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 634 0.784 -1.743 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 1.509 -0.805 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 2.591 -0.582 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 1.623 0.709 12.613 1.00 0.00 H new ATOM 814 N VAL A 635 2.649 -0.431 5.807 1.00 0.00 N ATOM 815 CA VAL A 635 2.923 -1.603 4.982 1.00 0.00 C ATOM 816 C VAL A 635 4.376 -1.606 4.504 1.00 0.00 C ATOM 817 O VAL A 635 5.067 -2.619 4.614 1.00 0.00 O ATOM 818 CB VAL A 635 1.963 -1.674 3.768 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.532 -2.553 2.666 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.606 -2.208 4.198 1.00 0.00 C ATOM 0 H VAL A 635 1.862 0.133 5.486 1.00 0.00 H new ATOM 0 HA VAL A 635 2.757 -2.484 5.601 1.00 0.00 H new ATOM 0 HB VAL A 635 1.847 -0.663 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.835 -2.583 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.485 -2.145 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.684 -3.563 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 635 -0.058 -2.252 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 635 0.724 -3.208 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.177 -1.548 4.952 1.00 0.00 H new ATOM 830 N GLU A 636 4.842 -0.461 4.009 1.00 0.00 N ATOM 831 CA GLU A 636 6.218 -0.312 3.559 1.00 0.00 C ATOM 832 C GLU A 636 7.195 -0.685 4.679 1.00 0.00 C ATOM 833 O GLU A 636 8.188 -1.379 4.448 1.00 0.00 O ATOM 834 CB GLU A 636 6.447 1.135 3.099 1.00 0.00 C ATOM 835 CG GLU A 636 7.881 1.612 3.243 1.00 0.00 C ATOM 836 CD GLU A 636 8.061 3.071 2.879 1.00 0.00 C ATOM 837 OE1 GLU A 636 7.668 3.940 3.686 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.612 3.357 1.797 1.00 0.00 O ATOM 0 H GLU A 636 4.278 0.383 3.910 1.00 0.00 H new ATOM 0 HA GLU A 636 6.397 -0.986 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.149 1.224 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.797 1.795 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 636 8.208 1.457 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.526 1.003 2.609 1.00 0.00 H new ATOM 845 N GLY A 637 6.896 -0.226 5.891 1.00 0.00 N ATOM 846 CA GLY A 637 7.733 -0.537 7.039 1.00 0.00 C ATOM 847 C GLY A 637 7.773 -2.019 7.352 1.00 0.00 C ATOM 848 O GLY A 637 8.835 -2.569 7.632 1.00 0.00 O ATOM 0 H GLY A 637 6.086 0.358 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.746 -0.183 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.363 0.004 7.910 1.00 0.00 H new ATOM 852 N ASP A 638 6.615 -2.667 7.332 1.00 0.00 N ATOM 853 CA ASP A 638 6.538 -4.102 7.603 1.00 0.00 C ATOM 854 C ASP A 638 7.269 -4.918 6.543 1.00 0.00 C ATOM 855 O ASP A 638 7.983 -5.871 6.862 1.00 0.00 O ATOM 856 CB ASP A 638 5.082 -4.554 7.707 1.00 0.00 C ATOM 857 CG ASP A 638 4.953 -6.038 7.989 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.279 -6.463 9.118 1.00 0.00 O ATOM 859 OD2 ASP A 638 4.504 -6.783 7.093 1.00 0.00 O ATOM 0 H ASP A 638 5.717 -2.226 7.132 1.00 0.00 H new ATOM 0 HA ASP A 638 7.032 -4.279 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 638 4.586 -3.993 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.564 -4.318 6.777 1.00 0.00 H new ATOM 864 N MET A 639 7.096 -4.532 5.288 1.00 0.00 N ATOM 865 CA MET A 639 7.727 -5.240 4.172 1.00 0.00 C ATOM 866 C MET A 639 9.247 -5.165 4.261 1.00 0.00 C ATOM 867 O MET A 639 9.927 -6.139 3.959 1.00 0.00 O ATOM 868 CB MET A 639 7.265 -4.684 2.808 1.00 0.00 C ATOM 869 CG MET A 639 5.752 -4.700 2.601 1.00 0.00 C ATOM 870 SD MET A 639 5.066 -6.363 2.650 1.00 0.00 S ATOM 871 CE MET A 639 3.340 -6.016 2.337 1.00 0.00 C ATOM 0 H MET A 639 6.525 -3.733 5.011 1.00 0.00 H new ATOM 0 HA MET A 639 7.415 -6.282 4.246 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.623 -3.659 2.707 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.734 -5.265 2.014 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.277 -4.092 3.371 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.515 -4.241 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 639 2.857 -6.907 1.936 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.852 -5.727 3.268 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.257 -5.203 1.616 1.00 0.00 H new ATOM 881 N TYR A 640 9.757 -4.012 4.691 1.00 0.00 N ATOM 882 CA TYR A 640 11.196 -3.712 4.608 1.00 0.00 C ATOM 883 C TYR A 640 12.090 -4.831 5.171 1.00 0.00 C ATOM 884 O TYR A 640 13.156 -5.090 4.610 1.00 0.00 O ATOM 885 CB TYR A 640 11.542 -2.369 5.278 1.00 0.00 C ATOM 886 CG TYR A 640 12.957 -1.898 4.974 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.426 -1.861 3.662 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.834 -1.515 5.988 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.714 -1.456 3.372 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.126 -1.112 5.701 1.00 0.00 C ATOM 891 CZ TYR A 640 15.560 -1.085 4.394 1.00 0.00 C ATOM 892 OH TYR A 640 16.847 -0.684 4.106 1.00 0.00 O ATOM 0 H TYR A 640 9.198 -3.265 5.102 1.00 0.00 H new ATOM 0 HA TYR A 640 11.410 -3.639 3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.833 -1.610 4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.422 -2.466 6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.769 -2.155 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.499 -1.533 7.015 1.00 0.00 H new ATOM 0 HE1 TYR A 640 15.057 -1.430 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.792 -0.820 6.499 1.00 0.00 H new ATOM 0 HH TYR A 640 17.312 -0.455 4.938 1.00 0.00 H new ATOM 902 N GLU A 641 11.688 -5.502 6.251 1.00 0.00 N ATOM 903 CA GLU A 641 12.544 -6.559 6.811 1.00 0.00 C ATOM 904 C GLU A 641 12.667 -7.731 5.835 1.00 0.00 C ATOM 905 O GLU A 641 13.770 -8.178 5.515 1.00 0.00 O ATOM 906 CB GLU A 641 12.036 -7.066 8.167 1.00 0.00 C ATOM 907 CG GLU A 641 12.339 -6.113 9.336 1.00 0.00 C ATOM 908 CD GLU A 641 11.358 -4.967 9.420 1.00 0.00 C ATOM 909 OE1 GLU A 641 11.566 -3.945 8.739 1.00 0.00 O ATOM 910 OE2 GLU A 641 10.381 -5.083 10.188 1.00 0.00 O ATOM 0 H GLU A 641 10.809 -5.345 6.744 1.00 0.00 H new ATOM 0 HA GLU A 641 13.526 -6.113 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 641 10.959 -7.222 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.487 -8.036 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.319 -6.673 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.348 -5.716 9.224 1.00 0.00 H new ATOM 917 N SER A 642 11.526 -8.219 5.367 1.00 0.00 N ATOM 918 CA SER A 642 11.487 -9.301 4.390 1.00 0.00 C ATOM 919 C SER A 642 12.080 -8.841 3.052 1.00 0.00 C ATOM 920 O SER A 642 12.790 -9.593 2.380 1.00 0.00 O ATOM 921 CB SER A 642 10.047 -9.791 4.207 1.00 0.00 C ATOM 922 OG SER A 642 10.007 -11.038 3.532 1.00 0.00 O ATOM 0 H SER A 642 10.607 -7.880 5.651 1.00 0.00 H new ATOM 0 HA SER A 642 12.091 -10.130 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.567 -9.887 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.478 -9.052 3.643 1.00 0.00 H new ATOM 0 HG SER A 642 9.076 -11.326 3.431 1.00 0.00 H new ATOM 928 N ALA A 643 11.758 -7.598 2.688 1.00 0.00 N ATOM 929 CA ALA A 643 12.190 -6.935 1.444 1.00 0.00 C ATOM 930 C ALA A 643 13.705 -6.842 1.236 1.00 0.00 C ATOM 931 O ALA A 643 14.164 -6.003 0.459 1.00 0.00 O ATOM 932 CB ALA A 643 11.610 -5.537 1.396 1.00 0.00 C ATOM 0 H ALA A 643 11.169 -7.000 3.268 1.00 0.00 H new ATOM 0 HA ALA A 643 11.818 -7.570 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 643 11.927 -5.043 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.522 -5.594 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 643 11.963 -4.967 2.255 1.00 0.00 H new ATOM 938 N ASN A 644 14.480 -7.668 1.910 1.00 0.00 N ATOM 939 CA ASN A 644 15.936 -7.600 1.810 1.00 0.00 C ATOM 940 C ASN A 644 16.417 -8.202 0.474 1.00 0.00 C ATOM 941 O ASN A 644 17.548 -8.674 0.365 1.00 0.00 O ATOM 942 CB ASN A 644 16.582 -8.316 3.013 1.00 0.00 C ATOM 943 CG ASN A 644 17.909 -7.689 3.445 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.231 -7.658 4.634 1.00 0.00 O ATOM 945 ND2 ASN A 644 18.696 -7.198 2.491 1.00 0.00 N ATOM 0 H ASN A 644 14.132 -8.396 2.534 1.00 0.00 H new ATOM 0 HA ASN A 644 16.244 -6.555 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.888 -8.298 3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.748 -9.363 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 644 19.594 -6.781 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 644 18.401 -7.239 1.515 1.00 0.00 H new ATOM 952 N SER A 645 15.548 -8.161 -0.545 1.00 0.00 N ATOM 953 CA SER A 645 15.858 -8.652 -1.885 1.00 0.00 C ATOM 954 C SER A 645 14.874 -8.048 -2.893 1.00 0.00 C ATOM 955 O SER A 645 13.704 -7.850 -2.557 1.00 0.00 O ATOM 956 CB SER A 645 15.792 -10.184 -1.942 1.00 0.00 C ATOM 957 OG SER A 645 16.776 -10.778 -1.110 1.00 0.00 O ATOM 0 H SER A 645 14.605 -7.783 -0.457 1.00 0.00 H new ATOM 0 HA SER A 645 16.874 -8.348 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.802 -10.518 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.934 -10.517 -2.970 1.00 0.00 H new ATOM 0 HG SER A 645 17.342 -10.078 -0.722 1.00 0.00 H new ATOM 963 N ARG A 646 15.337 -7.735 -4.102 1.00 0.00 N ATOM 964 CA ARG A 646 14.503 -7.025 -5.084 1.00 0.00 C ATOM 965 C ARG A 646 13.184 -7.749 -5.369 1.00 0.00 C ATOM 966 O ARG A 646 12.108 -7.142 -5.288 1.00 0.00 O ATOM 967 CB ARG A 646 15.268 -6.827 -6.398 1.00 0.00 C ATOM 968 CG ARG A 646 16.386 -5.798 -6.322 1.00 0.00 C ATOM 969 CD ARG A 646 15.848 -4.395 -6.070 1.00 0.00 C ATOM 970 NE ARG A 646 14.897 -3.980 -7.100 1.00 0.00 N ATOM 971 CZ ARG A 646 14.691 -2.715 -7.464 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.377 -1.730 -6.896 1.00 0.00 N ATOM 973 NH2 ARG A 646 13.796 -2.433 -8.401 1.00 0.00 N ATOM 0 H ARG A 646 16.277 -7.958 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 646 14.263 -6.057 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.690 -7.783 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.564 -6.525 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.077 -6.071 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.953 -5.808 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.363 -4.363 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.678 -3.689 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 646 14.356 -4.706 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.068 -1.939 -6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.213 -0.764 -7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.266 -3.184 -8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 646 13.638 -1.465 -8.680 1.00 0.00 H new ATOM 987 N ASP A 647 13.269 -9.040 -5.677 1.00 0.00 N ATOM 988 CA ASP A 647 12.089 -9.825 -6.042 1.00 0.00 C ATOM 989 C ASP A 647 11.092 -9.877 -4.895 1.00 0.00 C ATOM 990 O ASP A 647 9.885 -9.711 -5.097 1.00 0.00 O ATOM 991 CB ASP A 647 12.487 -11.247 -6.447 1.00 0.00 C ATOM 992 CG ASP A 647 11.282 -12.115 -6.762 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.705 -11.968 -7.861 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.899 -12.942 -5.914 1.00 0.00 O ATOM 0 H ASP A 647 14.142 -9.567 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 647 11.616 -9.334 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.139 -11.205 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.061 -11.705 -5.641 1.00 0.00 H new ATOM 999 N GLU A 648 11.613 -10.099 -3.696 1.00 0.00 N ATOM 1000 CA GLU A 648 10.794 -10.150 -2.490 1.00 0.00 C ATOM 1001 C GLU A 648 9.990 -8.864 -2.334 1.00 0.00 C ATOM 1002 O GLU A 648 8.776 -8.899 -2.135 1.00 0.00 O ATOM 1003 CB GLU A 648 11.686 -10.346 -1.261 1.00 0.00 C ATOM 1004 CG GLU A 648 10.925 -10.691 0.011 1.00 0.00 C ATOM 1005 CD GLU A 648 10.311 -12.073 -0.040 1.00 0.00 C ATOM 1006 OE1 GLU A 648 11.060 -13.063 0.089 1.00 0.00 O ATOM 1007 OE2 GLU A 648 9.079 -12.180 -0.201 1.00 0.00 O ATOM 0 H GLU A 648 12.608 -10.248 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 648 10.104 -10.989 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.403 -11.140 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.259 -9.434 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.601 -10.628 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.139 -9.953 0.172 1.00 0.00 H new ATOM 1014 N TYR A 649 10.678 -7.731 -2.458 1.00 0.00 N ATOM 1015 CA TYR A 649 10.058 -6.426 -2.238 1.00 0.00 C ATOM 1016 C TYR A 649 8.876 -6.203 -3.173 1.00 0.00 C ATOM 1017 O TYR A 649 7.792 -5.827 -2.723 1.00 0.00 O ATOM 1018 CB TYR A 649 11.082 -5.289 -2.396 1.00 0.00 C ATOM 1019 CG TYR A 649 10.570 -3.930 -1.948 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.800 -3.796 -0.797 1.00 0.00 C ATOM 1021 CD2 TYR A 649 10.855 -2.780 -2.679 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.331 -2.562 -0.389 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.388 -1.543 -2.274 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.629 -1.440 -1.130 1.00 0.00 C ATOM 1025 OH TYR A 649 9.158 -0.212 -0.730 1.00 0.00 O ATOM 0 H TYR A 649 11.666 -7.690 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 649 9.687 -6.417 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.976 -5.536 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.382 -5.226 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.565 -4.673 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.450 -2.855 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.734 -2.478 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 649 10.618 -0.661 -2.853 1.00 0.00 H new ATOM 0 HH TYR A 649 9.070 -0.197 0.246 1.00 0.00 H new ATOM 1035 N TYR A 650 9.067 -6.449 -4.467 1.00 0.00 N ATOM 1036 CA TYR A 650 8.006 -6.221 -5.434 1.00 0.00 C ATOM 1037 C TYR A 650 6.849 -7.180 -5.189 1.00 0.00 C ATOM 1038 O TYR A 650 5.681 -6.794 -5.261 1.00 0.00 O ATOM 1039 CB TYR A 650 8.526 -6.384 -6.868 1.00 0.00 C ATOM 1040 CG TYR A 650 7.514 -5.977 -7.919 1.00 0.00 C ATOM 1041 CD1 TYR A 650 7.458 -4.669 -8.380 1.00 0.00 C ATOM 1042 CD2 TYR A 650 6.606 -6.894 -8.437 1.00 0.00 C ATOM 1043 CE1 TYR A 650 6.526 -4.283 -9.325 1.00 0.00 C ATOM 1044 CE2 TYR A 650 5.673 -6.517 -9.385 1.00 0.00 C ATOM 1045 CZ TYR A 650 5.637 -5.211 -9.824 1.00 0.00 C ATOM 1046 OH TYR A 650 4.703 -4.829 -10.762 1.00 0.00 O ATOM 0 H TYR A 650 9.938 -6.802 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 650 7.652 -5.198 -5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.429 -5.785 -6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 650 8.809 -7.424 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 650 8.155 -3.940 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 650 6.630 -7.918 -8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 650 6.494 -3.260 -9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 650 4.976 -7.242 -9.779 1.00 0.00 H new ATOM 0 HH TYR A 650 4.154 -5.602 -11.011 1.00 0.00 H new ATOM 1056 N HIS A 651 7.186 -8.428 -4.879 1.00 0.00 N ATOM 1057 CA HIS A 651 6.185 -9.473 -4.747 1.00 0.00 C ATOM 1058 C HIS A 651 5.295 -9.202 -3.543 1.00 0.00 C ATOM 1059 O HIS A 651 4.081 -9.379 -3.610 1.00 0.00 O ATOM 1060 CB HIS A 651 6.845 -10.849 -4.619 1.00 0.00 C ATOM 1061 CG HIS A 651 5.885 -11.984 -4.802 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.493 -12.819 -3.780 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.236 -12.418 -5.908 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.644 -13.716 -4.247 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.471 -13.494 -5.536 1.00 0.00 N ATOM 0 H HIS A 651 8.144 -8.737 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 651 5.571 -9.472 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.642 -10.933 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.311 -10.931 -3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.307 -11.995 -6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.172 -14.498 -3.672 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.867 -14.034 -6.155 1.00 0.00 H new ATOM 1074 N LEU A 652 5.914 -8.767 -2.448 1.00 0.00 N ATOM 1075 CA LEU A 652 5.195 -8.484 -1.212 1.00 0.00 C ATOM 1076 C LEU A 652 4.094 -7.455 -1.432 1.00 0.00 C ATOM 1077 O LEU A 652 2.939 -7.688 -1.077 1.00 0.00 O ATOM 1078 CB LEU A 652 6.164 -7.956 -0.151 1.00 0.00 C ATOM 1079 CG LEU A 652 7.094 -8.994 0.473 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.199 -8.309 1.261 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.307 -9.927 1.377 1.00 0.00 C ATOM 0 H LEU A 652 6.919 -8.602 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 652 4.740 -9.415 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.774 -7.172 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.583 -7.490 0.645 1.00 0.00 H new ATOM 0 HG LEU A 652 7.548 -9.579 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.854 -9.062 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.778 -7.669 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.759 -7.704 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.981 -10.663 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.833 -9.350 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.542 -10.439 0.794 1.00 0.00 H new ATOM 1093 N LEU A 653 4.461 -6.330 -2.025 1.00 0.00 N ATOM 1094 CA LEU A 653 3.514 -5.254 -2.278 1.00 0.00 C ATOM 1095 C LEU A 653 2.445 -5.674 -3.287 1.00 0.00 C ATOM 1096 O LEU A 653 1.252 -5.523 -3.028 1.00 0.00 O ATOM 1097 CB LEU A 653 4.258 -4.001 -2.751 1.00 0.00 C ATOM 1098 CG LEU A 653 5.109 -3.323 -1.674 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.353 -2.709 -2.284 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.304 -2.250 -0.957 1.00 0.00 C ATOM 0 H LEU A 653 5.411 -6.137 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 653 3.001 -5.024 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.902 -4.271 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.530 -3.282 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 653 5.410 -4.082 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.944 -2.232 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.946 -3.488 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 653 6.065 -1.964 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.924 -1.778 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.978 -1.498 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.432 -2.703 -0.486 1.00 0.00 H new ATOM 1112 N ALA A 654 2.873 -6.233 -4.418 1.00 0.00 N ATOM 1113 CA ALA A 654 1.950 -6.620 -5.485 1.00 0.00 C ATOM 1114 C ALA A 654 0.943 -7.674 -5.020 1.00 0.00 C ATOM 1115 O ALA A 654 -0.255 -7.565 -5.300 1.00 0.00 O ATOM 1116 CB ALA A 654 2.725 -7.127 -6.690 1.00 0.00 C ATOM 0 H ALA A 654 3.854 -6.428 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 654 1.384 -5.732 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 654 2.027 -7.412 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.384 -6.340 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.320 -7.993 -6.402 1.00 0.00 H new ATOM 1122 N GLU A 655 1.437 -8.690 -4.314 1.00 0.00 N ATOM 1123 CA GLU A 655 0.583 -9.768 -3.802 1.00 0.00 C ATOM 1124 C GLU A 655 -0.519 -9.214 -2.907 1.00 0.00 C ATOM 1125 O GLU A 655 -1.691 -9.578 -3.050 1.00 0.00 O ATOM 1126 CB GLU A 655 1.412 -10.813 -3.033 1.00 0.00 C ATOM 1127 CG GLU A 655 0.609 -11.617 -2.026 1.00 0.00 C ATOM 1128 CD GLU A 655 1.471 -12.566 -1.231 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.974 -12.159 -0.166 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.643 -13.725 -1.658 1.00 0.00 O ATOM 0 H GLU A 655 2.425 -8.792 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 655 0.121 -10.256 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.869 -11.497 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 655 2.225 -10.306 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.099 -10.936 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.163 -12.182 -2.549 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.142 -8.328 -1.996 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.100 -7.745 -1.071 1.00 0.00 C ATOM 1139 C LYS A 656 -2.129 -6.912 -1.823 1.00 0.00 C ATOM 1140 O LYS A 656 -3.315 -6.959 -1.508 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.400 -6.898 -0.006 1.00 0.00 C ATOM 1142 CG LYS A 656 0.633 -7.665 0.806 1.00 0.00 C ATOM 1143 CD LYS A 656 0.081 -8.978 1.342 1.00 0.00 C ATOM 1144 CE LYS A 656 1.105 -9.710 2.199 1.00 0.00 C ATOM 1145 NZ LYS A 656 2.324 -10.090 1.435 1.00 0.00 N ATOM 0 H LYS A 656 0.816 -7.999 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.614 -8.562 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.087 -6.052 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.150 -6.489 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.505 -7.866 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.970 -7.047 1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.815 -8.783 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.218 -9.614 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.390 -9.076 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 656 0.648 -10.607 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 2.973 -10.615 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 2.056 -10.690 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 2.797 -9.232 1.086 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.675 -6.175 -2.833 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.566 -5.352 -3.643 1.00 0.00 C ATOM 1161 C ILE A 657 -3.645 -6.211 -4.302 1.00 0.00 C ATOM 1162 O ILE A 657 -4.828 -5.870 -4.270 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.778 -4.574 -4.730 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.879 -3.520 -4.075 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.729 -3.920 -5.726 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.015 -2.756 -5.057 1.00 0.00 C ATOM 0 H ILE A 657 -0.694 -6.131 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.042 -4.631 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.152 -5.281 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.503 -2.813 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.236 -4.009 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.153 -3.381 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.331 -4.688 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.383 -3.224 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.592 -2.029 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.636 -3.452 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.651 -2.237 -5.774 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.234 -7.340 -4.873 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.177 -8.242 -5.538 1.00 0.00 C ATOM 1180 C TYR A 658 -5.154 -8.816 -4.508 1.00 0.00 C ATOM 1181 O TYR A 658 -6.348 -8.954 -4.784 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.447 -9.370 -6.299 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.215 -9.898 -7.503 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.723 -9.024 -8.463 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.421 -11.264 -7.696 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.412 -9.493 -9.565 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.110 -11.735 -8.798 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.603 -10.847 -9.728 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.292 -11.316 -10.826 1.00 0.00 O ATOM 0 H TYR A 658 -2.263 -7.653 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.736 -7.670 -6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.477 -9.002 -6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.256 -10.194 -5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.575 -7.961 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.035 -11.966 -6.972 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -5.800 -8.800 -10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.261 -12.796 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.337 -12.294 -10.791 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.634 -9.141 -3.318 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.445 -9.614 -2.216 1.00 0.00 C ATOM 1201 C LYS A 659 -6.514 -8.588 -1.856 1.00 0.00 C ATOM 1202 O LYS A 659 -7.695 -8.917 -1.737 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.544 -9.868 -1.004 1.00 0.00 C ATOM 1204 CG LYS A 659 -5.257 -10.530 0.154 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.711 -11.925 -0.221 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.551 -12.902 -0.286 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.016 -13.228 1.061 1.00 0.00 N ATOM 0 H LYS A 659 -3.639 -9.080 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 659 -5.941 -10.539 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.706 -10.495 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -4.126 -8.919 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -4.592 -10.579 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -6.118 -9.929 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -6.441 -12.277 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -6.214 -11.895 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -4.877 -13.819 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.755 -12.478 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.371 -14.041 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -3.499 -12.408 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -4.803 -13.464 1.699 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.079 -7.345 -1.710 1.00 0.00 N ATOM 1222 CA ILE A 660 -6.952 -6.247 -1.303 1.00 0.00 C ATOM 1223 C ILE A 660 -8.039 -6.003 -2.344 1.00 0.00 C ATOM 1224 O ILE A 660 -9.208 -5.801 -2.008 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.143 -4.946 -1.082 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -5.156 -5.126 0.078 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.079 -3.775 -0.825 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -4.098 -4.042 0.159 1.00 0.00 C ATOM 0 H ILE A 660 -5.111 -7.066 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.421 -6.533 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.572 -4.729 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -5.712 -5.148 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -4.664 -6.093 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.494 -2.868 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.738 -3.641 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -7.677 -3.975 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -3.439 -4.239 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -3.515 -4.033 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -4.579 -3.073 0.293 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.648 -6.052 -3.608 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.582 -5.822 -4.713 1.00 0.00 C ATOM 1242 C GLN A 661 -9.638 -6.923 -4.750 1.00 0.00 C ATOM 1243 O GLN A 661 -10.816 -6.663 -4.996 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.855 -5.727 -6.069 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.991 -4.470 -6.223 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.160 -4.481 -7.492 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.745 -5.539 -7.972 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.915 -3.305 -8.047 1.00 0.00 N ATOM 0 H GLN A 661 -6.691 -6.249 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.071 -4.864 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.224 -6.607 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.595 -5.748 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.634 -3.590 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.329 -4.381 -5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.277 -2.453 -7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.364 -3.250 -8.904 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.205 -8.154 -4.491 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.103 -9.299 -4.480 1.00 0.00 C ATOM 1259 C LYS A 662 -11.114 -9.174 -3.343 1.00 0.00 C ATOM 1260 O LYS A 662 -12.296 -9.469 -3.518 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.304 -10.601 -4.351 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.163 -11.857 -4.282 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.300 -13.110 -4.259 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.131 -14.384 -4.168 1.00 0.00 C ATOM 1265 NZ LYS A 662 -10.810 -14.534 -2.852 1.00 0.00 N ATOM 0 H LYS A 662 -8.232 -8.382 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.649 -9.321 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.627 -10.684 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.686 -10.547 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -10.788 -11.825 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.834 -11.890 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -8.687 -13.143 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.618 -13.063 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -10.880 -14.382 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -9.487 -15.246 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -10.709 -15.514 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -10.376 -13.888 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -11.819 -14.305 -2.954 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.638 -8.713 -2.187 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.479 -8.568 -1.000 1.00 0.00 C ATOM 1281 C GLU A 663 -12.676 -7.664 -1.278 1.00 0.00 C ATOM 1282 O GLU A 663 -13.817 -8.012 -0.965 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.667 -8.000 0.171 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.623 -8.957 0.728 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.232 -10.229 1.278 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -10.644 -11.094 0.478 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.294 -10.379 2.513 1.00 0.00 O ATOM 0 H GLU A 663 -9.668 -8.432 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 663 -11.846 -9.559 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.169 -7.087 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.352 -7.721 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -8.912 -9.210 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.062 -8.457 1.517 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.403 -6.509 -1.875 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.442 -5.526 -2.162 1.00 0.00 C ATOM 1296 C LEU A 664 -14.511 -6.099 -3.083 1.00 0.00 C ATOM 1297 O LEU A 664 -15.704 -5.994 -2.795 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.834 -4.268 -2.787 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.758 -3.587 -1.946 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -11.212 -2.369 -2.671 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.316 -3.196 -0.589 1.00 0.00 C ATOM 0 H LEU A 664 -11.468 -6.230 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.914 -5.262 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.406 -4.531 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.633 -3.552 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.940 -4.290 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.446 -1.894 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.777 -2.676 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -12.021 -1.661 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.537 -2.711 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -13.150 -2.507 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.662 -4.088 -0.067 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.084 -6.713 -4.180 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.018 -7.257 -5.150 1.00 0.00 C ATOM 1315 C GLU A 665 -15.810 -8.411 -4.550 1.00 0.00 C ATOM 1316 O GLU A 665 -17.026 -8.504 -4.730 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.286 -7.720 -6.408 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.484 -6.622 -7.086 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.279 -5.347 -7.277 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -15.459 -5.423 -7.685 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -13.722 -4.257 -7.030 1.00 0.00 O ATOM 0 H GLU A 665 -13.101 -6.845 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.714 -6.464 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.616 -8.539 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -15.014 -8.117 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -12.597 -6.406 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -13.138 -6.978 -8.056 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.108 -9.277 -3.829 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.712 -10.460 -3.241 1.00 0.00 C ATOM 1330 C GLU A 666 -16.805 -10.099 -2.242 1.00 0.00 C ATOM 1331 O GLU A 666 -17.911 -10.628 -2.316 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.639 -11.304 -2.556 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.171 -12.574 -1.919 1.00 0.00 C ATOM 1334 CD GLU A 666 -14.073 -13.397 -1.290 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -13.419 -14.176 -2.015 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -13.850 -13.265 -0.068 1.00 0.00 O ATOM 0 H GLU A 666 -14.111 -9.178 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.173 -11.033 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -13.876 -11.568 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.151 -10.702 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -15.910 -12.316 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -15.683 -13.170 -2.674 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.505 -9.207 -1.308 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.487 -8.835 -0.298 1.00 0.00 C ATOM 1345 C LYS A 667 -18.676 -8.106 -0.925 1.00 0.00 C ATOM 1346 O LYS A 667 -19.821 -8.327 -0.531 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.868 -8.022 0.847 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.556 -6.571 0.530 1.00 0.00 C ATOM 1349 CD LYS A 667 -16.154 -5.835 1.800 1.00 0.00 C ATOM 1350 CE LYS A 667 -16.014 -4.338 1.586 1.00 0.00 C ATOM 1351 NZ LYS A 667 -15.587 -3.644 2.831 1.00 0.00 N ATOM 0 H LYS A 667 -15.605 -8.734 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 667 -17.857 -9.761 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -17.549 -8.051 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -15.946 -8.513 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -15.751 -6.515 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -17.427 -6.092 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -16.899 -6.020 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -15.209 -6.236 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -15.287 -4.149 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -16.966 -3.928 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -14.857 -2.939 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -16.406 -3.168 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -15.199 -4.339 3.500 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.409 -7.249 -1.916 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.463 -6.476 -2.564 1.00 0.00 C ATOM 1367 C ARG A 668 -20.424 -7.374 -3.327 1.00 0.00 C ATOM 1368 O ARG A 668 -21.532 -6.982 -3.684 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.864 -5.400 -3.482 1.00 0.00 C ATOM 1370 CG ARG A 668 -19.903 -4.593 -4.250 1.00 0.00 C ATOM 1371 CD ARG A 668 -19.314 -3.326 -4.853 1.00 0.00 C ATOM 1372 NE ARG A 668 -18.190 -3.591 -5.751 1.00 0.00 N ATOM 1373 CZ ARG A 668 -17.432 -2.633 -6.289 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -17.674 -1.356 -6.013 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -16.429 -2.946 -7.098 1.00 0.00 N ATOM 0 H ARG A 668 -17.473 -7.076 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.036 -5.976 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.261 -4.719 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -18.191 -5.878 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -20.325 -5.209 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -20.722 -4.329 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -20.092 -2.795 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -18.983 -2.667 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 668 -17.974 -4.561 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -18.441 -1.106 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -17.093 -0.626 -6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -16.233 -3.924 -7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -15.854 -2.209 -7.506 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.999 -8.591 -3.529 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.820 -9.606 -4.176 1.00 0.00 C ATOM 1391 C ARG A 669 -22.042 -9.914 -3.317 1.00 0.00 C ATOM 1392 O ARG A 669 -23.115 -10.239 -3.827 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.998 -10.874 -4.386 1.00 0.00 C ATOM 1394 CG ARG A 669 -20.756 -12.013 -5.045 1.00 0.00 C ATOM 1395 CD ARG A 669 -19.860 -13.223 -5.253 1.00 0.00 C ATOM 1396 NE ARG A 669 -18.781 -12.953 -6.204 1.00 0.00 N ATOM 1397 CZ ARG A 669 -17.639 -13.640 -6.257 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -17.395 -14.606 -5.380 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -16.735 -13.355 -7.185 1.00 0.00 N ATOM 0 H ARG A 669 -19.073 -8.918 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 669 -21.155 -9.232 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -19.129 -10.631 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.624 -11.214 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -21.609 -12.291 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -21.153 -11.682 -6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -19.433 -13.525 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -20.459 -14.059 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 669 -18.911 -12.191 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -18.083 -14.827 -4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -16.520 -15.128 -5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -16.913 -12.610 -7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -15.862 -13.881 -7.225 1.00 0.00 H new ATOM 1413 N SER A 670 -21.870 -9.777 -2.009 1.00 0.00 N ATOM 1414 CA SER A 670 -22.921 -10.081 -1.050 1.00 0.00 C ATOM 1415 C SER A 670 -23.767 -8.841 -0.742 1.00 0.00 C ATOM 1416 O SER A 670 -24.566 -8.847 0.199 1.00 0.00 O ATOM 1417 CB SER A 670 -22.299 -10.637 0.238 1.00 0.00 C ATOM 1418 OG SER A 670 -23.293 -11.030 1.171 1.00 0.00 O ATOM 0 H SER A 670 -21.001 -9.453 -1.585 1.00 0.00 H new ATOM 0 HA SER A 670 -23.580 -10.832 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 670 -21.667 -11.492 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 670 -21.656 -9.881 0.688 1.00 0.00 H new ATOM 0 HG SER A 670 -24.078 -10.450 1.077 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.567 -7.770 -1.513 1.00 0.00 N ATOM 1425 CA ARG A 671 -24.354 -6.547 -1.349 1.00 0.00 C ATOM 1426 C ARG A 671 -25.850 -6.852 -1.432 1.00 0.00 C ATOM 1427 O ARG A 671 -26.249 -7.848 -2.046 1.00 0.00 O ATOM 1428 CB ARG A 671 -23.962 -5.498 -2.399 1.00 0.00 C ATOM 1429 CG ARG A 671 -24.406 -5.829 -3.816 1.00 0.00 C ATOM 1430 CD ARG A 671 -23.747 -4.911 -4.835 1.00 0.00 C ATOM 1431 NE ARG A 671 -23.983 -3.493 -4.554 1.00 0.00 N ATOM 1432 CZ ARG A 671 -23.395 -2.499 -5.220 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -22.539 -2.770 -6.197 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -23.665 -1.237 -4.910 1.00 0.00 N ATOM 0 H ARG A 671 -22.869 -7.725 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 671 -24.139 -6.139 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -24.390 -4.537 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -22.878 -5.380 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -24.157 -6.865 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -25.490 -5.738 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -22.674 -5.101 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -24.125 -5.148 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.634 -3.252 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -22.331 -3.739 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -22.089 -2.009 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -24.324 -1.026 -4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -23.214 -0.478 -5.421 1.00 0.00 H new ATOM 1448 N LEU A 672 -26.656 -5.975 -0.829 1.00 0.00 N ATOM 1449 CA LEU A 672 -28.101 -6.196 -0.668 1.00 0.00 C ATOM 1450 C LEU A 672 -28.358 -7.314 0.339 1.00 0.00 C ATOM 1451 O LEU A 672 -28.451 -8.488 -0.066 1.00 0.00 O ATOM 1452 CB LEU A 672 -28.760 -6.523 -2.011 1.00 0.00 C ATOM 1453 CG LEU A 672 -28.951 -5.339 -2.962 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -29.486 -5.816 -4.301 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -29.893 -4.310 -2.356 1.00 0.00 C ATOM 1456 OXT LEU A 672 -28.447 -7.012 1.549 1.00 0.00 O ATOM 0 H LEU A 672 -26.329 -5.092 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 672 -28.545 -5.275 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -28.157 -7.278 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -29.735 -6.971 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 672 -27.981 -4.868 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -29.616 -4.962 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -28.780 -6.518 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -30.446 -6.311 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -30.015 -3.477 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -30.863 -4.771 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -29.477 -3.944 -1.417 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 2.128 -8.334 12.897 1.00 0.00 N ATOM 1470 CA ASP B 840 0.854 -7.999 12.281 1.00 0.00 C ATOM 1471 C ASP B 840 0.710 -6.495 12.130 1.00 0.00 C ATOM 1472 O ASP B 840 0.048 -5.836 12.933 1.00 0.00 O ATOM 1473 CB ASP B 840 -0.329 -8.555 13.089 1.00 0.00 C ATOM 1474 CG ASP B 840 -0.483 -10.052 12.942 1.00 0.00 C ATOM 1475 OD1 ASP B 840 -1.140 -10.492 11.975 1.00 0.00 O ATOM 1476 OD2 ASP B 840 0.042 -10.797 13.796 1.00 0.00 O ATOM 0 HA ASP B 840 0.841 -8.462 11.294 1.00 0.00 H new ATOM 0 HB2 ASP B 840 -0.192 -8.310 14.142 1.00 0.00 H new ATOM 0 HB3 ASP B 840 -1.247 -8.066 12.765 1.00 0.00 H new ATOM 1481 N ALA B 841 1.339 -5.954 11.099 1.00 0.00 N ATOM 1482 CA ALA B 841 1.215 -4.539 10.795 1.00 0.00 C ATOM 1483 C ALA B 841 -0.028 -4.301 9.953 1.00 0.00 C ATOM 1484 O ALA B 841 -0.453 -3.166 9.744 1.00 0.00 O ATOM 1485 CB ALA B 841 2.457 -4.034 10.078 1.00 0.00 C ATOM 0 H ALA B 841 1.940 -6.474 10.459 1.00 0.00 H new ATOM 0 HA ALA B 841 1.118 -3.984 11.728 1.00 0.00 H new ATOM 0 HB1 ALA B 841 2.344 -2.972 9.859 1.00 0.00 H new ATOM 0 HB2 ALA B 841 3.330 -4.183 10.714 1.00 0.00 H new ATOM 0 HB3 ALA B 841 2.588 -4.584 9.146 1.00 0.00 H new ATOM 1491 N GLY B 842 -0.608 -5.396 9.485 1.00 0.00 N ATOM 1492 CA GLY B 842 -1.810 -5.331 8.696 1.00 0.00 C ATOM 1493 C GLY B 842 -1.519 -5.289 7.222 1.00 0.00 C ATOM 1494 O GLY B 842 -1.723 -4.271 6.564 1.00 0.00 O ATOM 0 H GLY B 842 -0.257 -6.340 9.644 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.435 -6.196 8.917 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -2.380 -4.446 8.978 1.00 0.00 H new ATOM 1498 N ASN B 843 -1.037 -6.406 6.709 1.00 0.00 N ATOM 1499 CA ASN B 843 -0.747 -6.537 5.285 1.00 0.00 C ATOM 1500 C ASN B 843 -2.037 -6.487 4.476 1.00 0.00 C ATOM 1501 O ASN B 843 -2.046 -6.065 3.320 1.00 0.00 O ATOM 1502 CB ASN B 843 -0.010 -7.845 4.992 1.00 0.00 C ATOM 1503 CG ASN B 843 1.348 -7.944 5.669 1.00 0.00 C ATOM 1504 OD1 ASN B 843 1.814 -9.041 5.977 1.00 0.00 O ATOM 1505 ND2 ASN B 843 1.992 -6.810 5.907 1.00 0.00 N ATOM 0 H ASN B 843 -0.836 -7.242 7.257 1.00 0.00 H new ATOM 0 HA ASN B 843 -0.106 -5.704 4.997 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -0.630 -8.682 5.315 1.00 0.00 H new ATOM 0 HB3 ASN B 843 0.122 -7.944 3.915 1.00 0.00 H new ATOM 0 HD21 ASN B 843 2.906 -6.828 6.360 1.00 0.00 H new ATOM 0 HD22 ASN B 843 1.574 -5.920 5.637 1.00 0.00 H new ATOM 1512 N ILE B 844 -3.119 -6.938 5.093 1.00 0.00 N ATOM 1513 CA ILE B 844 -4.438 -6.859 4.489 1.00 0.00 C ATOM 1514 C ILE B 844 -5.239 -5.793 5.232 1.00 0.00 C ATOM 1515 O ILE B 844 -5.135 -5.680 6.455 1.00 0.00 O ATOM 1516 CB ILE B 844 -5.188 -8.218 4.545 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -4.214 -9.382 4.314 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -6.289 -8.254 3.492 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -4.873 -10.749 4.322 1.00 0.00 C ATOM 0 H ILE B 844 -3.107 -7.366 6.019 1.00 0.00 H new ATOM 0 HA ILE B 844 -4.326 -6.600 3.436 1.00 0.00 H new ATOM 0 HB ILE B 844 -5.633 -8.323 5.534 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -3.712 -9.238 3.357 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -3.444 -9.357 5.085 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -6.808 -9.211 3.541 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -6.998 -7.447 3.679 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -5.850 -8.129 2.502 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -4.119 -11.517 4.152 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -5.351 -10.917 5.287 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -5.623 -10.796 3.532 1.00 0.00 H new ATOM 1531 N LEU B 845 -6.028 -5.011 4.507 1.00 0.00 N ATOM 1532 CA LEU B 845 -6.712 -3.868 5.099 1.00 0.00 C ATOM 1533 C LEU B 845 -7.936 -4.292 5.899 1.00 0.00 C ATOM 1534 O LEU B 845 -8.734 -5.112 5.444 1.00 0.00 O ATOM 1535 CB LEU B 845 -7.130 -2.891 4.008 1.00 0.00 C ATOM 1536 CG LEU B 845 -5.988 -2.102 3.383 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -6.131 -2.086 1.880 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -5.969 -0.682 3.925 1.00 0.00 C ATOM 0 H LEU B 845 -6.210 -5.146 3.512 1.00 0.00 H new ATOM 0 HA LEU B 845 -6.014 -3.385 5.783 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -7.643 -3.445 3.222 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -7.851 -2.189 4.426 1.00 0.00 H new ATOM 0 HG LEU B 845 -5.046 -2.585 3.641 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -5.309 -1.519 1.442 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -6.109 -3.108 1.502 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -7.078 -1.619 1.610 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -5.147 -0.130 3.469 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -6.912 -0.190 3.689 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -5.834 -0.707 5.006 1.00 0.00 H new ATOM 1550 N PRO B 846 -8.086 -3.734 7.113 1.00 0.00 N ATOM 1551 CA PRO B 846 -9.239 -3.997 7.977 1.00 0.00 C ATOM 1552 C PRO B 846 -10.550 -3.506 7.365 1.00 0.00 C ATOM 1553 O PRO B 846 -10.540 -2.668 6.458 1.00 0.00 O ATOM 1554 CB PRO B 846 -8.929 -3.217 9.262 1.00 0.00 C ATOM 1555 CG PRO B 846 -7.472 -2.917 9.204 1.00 0.00 C ATOM 1556 CD PRO B 846 -7.129 -2.812 7.748 1.00 0.00 C ATOM 0 HA PRO B 846 -9.378 -5.066 8.139 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -9.516 -2.300 9.316 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -9.174 -3.805 10.147 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -7.244 -1.988 9.727 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.892 -3.704 9.686 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -7.245 -1.793 7.379 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -6.097 -3.105 7.555 1.00 0.00 H new ATOM 1564 N SER B 847 -11.666 -4.004 7.878 1.00 0.00 N ATOM 1565 CA SER B 847 -12.972 -3.778 7.267 1.00 0.00 C ATOM 1566 C SER B 847 -13.282 -2.290 7.075 1.00 0.00 C ATOM 1567 O SER B 847 -13.646 -1.866 5.976 1.00 0.00 O ATOM 1568 CB SER B 847 -14.053 -4.432 8.128 1.00 0.00 C ATOM 1569 OG SER B 847 -13.774 -5.808 8.328 1.00 0.00 O ATOM 0 H SER B 847 -11.694 -4.573 8.724 1.00 0.00 H new ATOM 0 HA SER B 847 -12.955 -4.228 6.275 1.00 0.00 H new ATOM 0 HB2 SER B 847 -14.113 -3.925 9.091 1.00 0.00 H new ATOM 0 HB3 SER B 847 -15.025 -4.320 7.647 1.00 0.00 H new ATOM 0 HG SER B 847 -14.477 -6.207 8.883 1.00 0.00 H new ATOM 1575 N ASP B 848 -13.091 -1.505 8.132 1.00 0.00 N ATOM 1576 CA ASP B 848 -13.501 -0.094 8.147 1.00 0.00 C ATOM 1577 C ASP B 848 -12.853 0.718 7.023 1.00 0.00 C ATOM 1578 O ASP B 848 -13.521 1.522 6.368 1.00 0.00 O ATOM 1579 CB ASP B 848 -13.171 0.546 9.496 1.00 0.00 C ATOM 1580 CG ASP B 848 -13.749 1.938 9.633 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -14.984 2.066 9.754 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -12.967 2.910 9.647 1.00 0.00 O ATOM 0 H ASP B 848 -12.652 -1.820 8.997 1.00 0.00 H new ATOM 0 HA ASP B 848 -14.579 -0.081 7.985 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -13.556 -0.084 10.298 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -12.089 0.592 9.618 1.00 0.00 H new ATOM 1587 N ILE B 849 -11.555 0.519 6.808 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.844 1.232 5.746 1.00 0.00 C ATOM 1589 C ILE B 849 -11.385 0.812 4.382 1.00 0.00 C ATOM 1590 O ILE B 849 -11.590 1.637 3.492 1.00 0.00 O ATOM 1591 CB ILE B 849 -9.316 0.975 5.789 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.768 1.170 7.210 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.593 1.907 4.815 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.881 2.590 7.734 1.00 0.00 C ATOM 0 H ILE B 849 -10.977 -0.124 7.349 1.00 0.00 H new ATOM 0 HA ILE B 849 -11.011 2.297 5.907 1.00 0.00 H new ATOM 0 HB ILE B 849 -9.137 -0.058 5.490 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -9.301 0.502 7.887 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.720 0.871 7.227 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.521 1.715 4.856 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.955 1.727 3.803 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.787 2.943 5.091 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -8.471 2.639 8.743 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.324 3.264 7.083 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.929 2.888 7.753 1.00 0.00 H new ATOM 1606 N MET B 850 -11.625 -0.486 4.240 1.00 0.00 N ATOM 1607 CA MET B 850 -12.149 -1.052 3.002 1.00 0.00 C ATOM 1608 C MET B 850 -13.560 -0.545 2.720 1.00 0.00 C ATOM 1609 O MET B 850 -13.926 -0.302 1.574 1.00 0.00 O ATOM 1610 CB MET B 850 -12.143 -2.585 3.075 1.00 0.00 C ATOM 1611 CG MET B 850 -10.759 -3.199 3.263 1.00 0.00 C ATOM 1612 SD MET B 850 -9.838 -3.435 1.722 1.00 0.00 S ATOM 1613 CE MET B 850 -9.523 -1.752 1.185 1.00 0.00 C ATOM 0 H MET B 850 -11.463 -1.173 4.976 1.00 0.00 H new ATOM 0 HA MET B 850 -11.503 -0.732 2.184 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.783 -2.900 3.899 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.583 -2.982 2.160 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.177 -2.560 3.927 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.866 -4.163 3.761 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.778 -1.757 0.389 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.447 -1.309 0.814 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.151 -1.165 2.025 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.357 -0.424 3.770 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.723 0.084 3.657 1.00 0.00 C ATOM 1625 C ASP B 851 -15.751 1.472 3.026 1.00 0.00 C ATOM 1626 O ASP B 851 -16.658 1.784 2.258 1.00 0.00 O ATOM 1627 CB ASP B 851 -16.424 0.114 5.025 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.801 -1.270 5.512 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -17.128 -2.135 4.670 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -16.790 -1.495 6.743 1.00 0.00 O ATOM 0 H ASP B 851 -14.082 -0.672 4.720 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.265 -0.602 3.005 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -15.768 0.587 5.756 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -17.321 0.729 4.957 1.00 0.00 H new ATOM 1635 N PHE B 852 -14.763 2.300 3.356 1.00 0.00 N ATOM 1636 CA PHE B 852 -14.728 3.685 2.888 1.00 0.00 C ATOM 1637 C PHE B 852 -14.828 3.766 1.360 1.00 0.00 C ATOM 1638 O PHE B 852 -15.645 4.523 0.835 1.00 0.00 O ATOM 1639 CB PHE B 852 -13.453 4.386 3.380 1.00 0.00 C ATOM 1640 CG PHE B 852 -13.381 5.853 3.030 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -14.507 6.661 3.114 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -12.184 6.425 2.619 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -14.440 8.003 2.794 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -12.114 7.767 2.300 1.00 0.00 C ATOM 1645 CZ PHE B 852 -13.243 8.556 2.385 1.00 0.00 C ATOM 0 H PHE B 852 -13.974 2.036 3.947 1.00 0.00 H new ATOM 0 HA PHE B 852 -15.595 4.197 3.305 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -13.387 4.278 4.463 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -12.586 3.879 2.956 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -15.447 6.235 3.433 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -11.297 5.813 2.548 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -15.324 8.620 2.864 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -11.176 8.199 1.984 1.00 0.00 H new ATOM 0 HZ PHE B 852 -13.190 9.605 2.132 1.00 0.00 H new ATOM 1655 N VAL B 853 -14.018 2.981 0.649 1.00 0.00 N ATOM 1656 CA VAL B 853 -14.063 2.986 -0.814 1.00 0.00 C ATOM 1657 C VAL B 853 -15.407 2.463 -1.331 1.00 0.00 C ATOM 1658 O VAL B 853 -15.960 2.996 -2.291 1.00 0.00 O ATOM 1659 CB VAL B 853 -12.889 2.201 -1.466 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -12.814 0.767 -0.969 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -13.012 2.221 -2.985 1.00 0.00 C ATOM 0 H VAL B 853 -13.333 2.343 1.054 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.950 4.028 -1.112 1.00 0.00 H new ATOM 0 HB VAL B 853 -11.966 2.701 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -11.980 0.258 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -12.666 0.763 0.111 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -13.743 0.250 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.182 1.667 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -13.954 1.758 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -12.988 3.252 -3.338 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.934 1.431 -0.682 1.00 0.00 N ATOM 1672 CA LEU B 854 -17.227 0.860 -1.061 1.00 0.00 C ATOM 1673 C LEU B 854 -18.349 1.881 -0.873 1.00 0.00 C ATOM 1674 O LEU B 854 -19.288 1.943 -1.670 1.00 0.00 O ATOM 1675 CB LEU B 854 -17.533 -0.412 -0.251 1.00 0.00 C ATOM 1676 CG LEU B 854 -16.933 -1.732 -0.775 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -17.654 -2.224 -2.022 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -15.450 -1.590 -1.065 1.00 0.00 C ATOM 0 H LEU B 854 -15.487 0.970 0.111 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.170 0.591 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.178 -0.259 0.768 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -18.615 -0.529 -0.198 1.00 0.00 H new ATOM 0 HG LEU B 854 -17.068 -2.471 0.015 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -17.201 -3.156 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -18.706 -2.394 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.572 -1.475 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -15.059 -2.539 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -15.299 -0.818 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.926 -1.311 -0.151 1.00 0.00 H new ATOM 1690 N LYS B 855 -18.262 2.663 0.199 1.00 0.00 N ATOM 1691 CA LYS B 855 -19.286 3.673 0.488 1.00 0.00 C ATOM 1692 C LYS B 855 -19.170 4.865 -0.467 1.00 0.00 C ATOM 1693 O LYS B 855 -20.157 5.554 -0.733 1.00 0.00 O ATOM 1694 CB LYS B 855 -19.192 4.146 1.948 1.00 0.00 C ATOM 1695 CG LYS B 855 -20.210 5.226 2.339 1.00 0.00 C ATOM 1696 CD LYS B 855 -20.025 5.674 3.781 1.00 0.00 C ATOM 1697 CE LYS B 855 -20.264 4.535 4.761 1.00 0.00 C ATOM 1698 NZ LYS B 855 -21.646 3.990 4.665 1.00 0.00 N ATOM 0 H LYS B 855 -17.502 2.621 0.879 1.00 0.00 H new ATOM 0 HA LYS B 855 -20.261 3.209 0.337 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -19.326 3.286 2.604 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -18.188 4.530 2.127 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -20.105 6.084 1.675 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -21.221 4.840 2.204 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -19.015 6.063 3.914 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -20.712 6.491 3.999 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -19.547 3.737 4.570 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -20.084 4.888 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -21.830 3.365 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -22.329 4.774 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -21.746 3.450 3.782 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.976 5.089 -1.002 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.742 6.227 -1.884 1.00 0.00 C ATOM 1714 C ASN B 856 -17.926 5.830 -3.346 1.00 0.00 C ATOM 1715 O ASN B 856 -17.363 4.841 -3.812 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.331 6.786 -1.672 1.00 0.00 C ATOM 1717 CG ASN B 856 -16.085 8.061 -2.459 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -16.323 9.165 -1.966 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.604 7.923 -3.688 1.00 0.00 N ATOM 0 H ASN B 856 -17.158 4.501 -0.842 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.472 6.998 -1.639 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -16.178 6.983 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.598 6.035 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.419 8.748 -4.259 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -15.419 6.992 -4.062 1.00 0.00 H new ATOM 1726 N THR B 857 -18.725 6.597 -4.063 1.00 0.00 N ATOM 1727 CA THR B 857 -18.938 6.368 -5.479 1.00 0.00 C ATOM 1728 C THR B 857 -19.131 7.700 -6.203 1.00 0.00 C ATOM 1729 O THR B 857 -20.158 8.358 -6.033 1.00 0.00 O ATOM 1730 CB THR B 857 -20.161 5.461 -5.719 1.00 0.00 C ATOM 1731 OG1 THR B 857 -20.028 4.254 -4.954 1.00 0.00 O ATOM 1732 CG2 THR B 857 -20.304 5.112 -7.194 1.00 0.00 C ATOM 0 H THR B 857 -19.241 7.391 -3.684 1.00 0.00 H new ATOM 0 HA THR B 857 -18.056 5.865 -5.875 1.00 0.00 H new ATOM 0 HB THR B 857 -21.052 6.003 -5.404 1.00 0.00 H new ATOM 0 HG1 THR B 857 -20.808 3.681 -5.108 1.00 0.00 H new ATOM 0 HG21 THR B 857 -21.175 4.471 -7.334 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.430 6.026 -7.774 1.00 0.00 H new ATOM 0 HG23 THR B 857 -19.410 4.588 -7.532 1.00 0.00 H new ATOM 1740 N PRO B 858 -18.130 8.119 -6.997 1.00 0.00 N ATOM 1741 CA PRO B 858 -18.155 9.403 -7.712 1.00 0.00 C ATOM 1742 C PRO B 858 -19.355 9.532 -8.644 1.00 0.00 C ATOM 1743 O PRO B 858 -19.304 8.988 -9.767 1.00 0.00 O ATOM 1744 CB PRO B 858 -16.852 9.397 -8.518 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.973 8.414 -7.828 1.00 0.00 C ATOM 1746 CD PRO B 858 -16.890 7.370 -7.262 1.00 0.00 C ATOM 1747 OXT PRO B 858 -20.345 10.186 -8.254 1.00 0.00 O ATOM 0 HA PRO B 858 -18.240 10.243 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -17.030 9.107 -9.554 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -16.396 10.387 -8.538 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -15.260 7.972 -8.524 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -15.393 8.894 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -17.055 6.554 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -16.484 6.928 -6.352 1.00 0.00 H new TER 1755 PRO B 858