USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=22 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 Single : A 589 LYS NZ :NH3+ -120:sc= 0.404 (180deg=-0.24) USER MOD Single : A 592 HIS : no HD1:sc= 0.872 K(o=0.95,f=-3.6!) USER MOD Single : A 594 HIS : no HD1:sc= -2.35! K(o=-2.3!,f=-0.72) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 597 GLN : amide:sc= -1.31! C(o=-1.3!,f=-2.4!) USER MOD Single : A 601 SER OG : rot 1:sc= 0.985 USER MOD Single : A 602 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.0055) USER MOD Single : A 605 HIS : no HD1:sc= -0.753 K(o=-0.75,f=0.19) USER MOD Single : A 606 LYS NZ :NH3+ -163:sc= -0.0458 (180deg=-0.325) USER MOD Single : A 609 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.43) USER MOD Single : A 614 THR OG1 : rot 43:sc= -0.174 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -170:sc= -0.448 (180deg=-0.513) USER MOD Single : A 627 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.012) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 143:sc= -0.234 (180deg=-0.832) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 161:sc= -0.0694 (180deg=-0.789) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN : amide:sc= 0.71 K(o=0.71,f=-0.51) USER MOD Single : A 645 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 649 TYR OH : rot 30:sc= -1.37 USER MOD Single : A 650 TYR OH : rot 150:sc= -0.324 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ -152:sc= -2.96! (180deg=-3.84!) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.497) USER MOD Single : A 661 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.8!) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 LYS NZ :NH3+ 140:sc= 0.686 (180deg=-1.32) USER MOD Single : A 670 SER OG : rot -32:sc= 0.297 USER MOD Single : B 843 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.9!) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl -133:sc= -2.02 (180deg=-3.01!) USER MOD Single : B 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 856 ASN : amide:sc= -0.871 K(o=-0.87,f=-5.5!) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 36.186 2.619 4.887 1.00 0.00 N ATOM 2 CA GLY A 586 35.191 1.901 4.117 1.00 0.00 C ATOM 3 C GLY A 586 34.599 0.718 4.855 1.00 0.00 C ATOM 4 O GLY A 586 35.308 -0.028 5.531 1.00 0.00 O ATOM 0 HA2 GLY A 586 34.390 2.587 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 586 35.643 1.552 3.189 1.00 0.00 H new ATOM 8 N VAL A 587 33.295 0.547 4.720 1.00 0.00 N ATOM 9 CA VAL A 587 32.600 -0.585 5.312 1.00 0.00 C ATOM 10 C VAL A 587 31.466 -1.021 4.388 1.00 0.00 C ATOM 11 O VAL A 587 30.862 -0.190 3.710 1.00 0.00 O ATOM 12 CB VAL A 587 32.030 -0.274 6.715 1.00 0.00 C ATOM 13 CG1 VAL A 587 33.145 -0.113 7.736 1.00 0.00 C ATOM 14 CG2 VAL A 587 31.158 0.966 6.682 1.00 0.00 C ATOM 0 H VAL A 587 32.691 1.184 4.201 1.00 0.00 H new ATOM 0 HA VAL A 587 33.331 -1.385 5.433 1.00 0.00 H new ATOM 0 HB VAL A 587 31.413 -1.120 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 587 32.715 0.105 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 587 33.723 -1.035 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 587 33.798 0.707 7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 587 30.769 1.164 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 587 31.750 1.818 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 587 30.328 0.809 5.994 1.00 0.00 H new ATOM 24 N ARG A 588 31.200 -2.323 4.343 1.00 0.00 N ATOM 25 CA ARG A 588 30.248 -2.893 3.389 1.00 0.00 C ATOM 26 C ARG A 588 28.789 -2.497 3.654 1.00 0.00 C ATOM 27 O ARG A 588 27.901 -2.987 2.955 1.00 0.00 O ATOM 28 CB ARG A 588 30.383 -4.434 3.372 1.00 0.00 C ATOM 29 CG ARG A 588 29.838 -5.147 4.616 1.00 0.00 C ATOM 30 CD ARG A 588 28.363 -5.500 4.464 1.00 0.00 C ATOM 31 NE ARG A 588 27.816 -6.178 5.638 1.00 0.00 N ATOM 32 CZ ARG A 588 26.535 -6.534 5.757 1.00 0.00 C ATOM 33 NH1 ARG A 588 25.679 -6.280 4.774 1.00 0.00 N ATOM 34 NH2 ARG A 588 26.113 -7.153 6.853 1.00 0.00 N ATOM 0 H ARG A 588 31.633 -3.010 4.960 1.00 0.00 H new ATOM 0 HA ARG A 588 30.503 -2.476 2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 588 29.864 -4.819 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 588 31.436 -4.690 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 588 30.413 -6.056 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 588 29.971 -4.508 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 588 27.794 -4.589 4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 588 28.236 -6.139 3.590 1.00 0.00 H new ATOM 0 HE ARG A 588 28.449 -6.391 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 588 26.000 -5.812 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 588 24.701 -6.553 4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 588 26.768 -7.358 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 588 25.133 -7.424 6.941 1.00 0.00 H new ATOM 48 N LYS A 589 28.538 -1.631 4.644 1.00 0.00 N ATOM 49 CA LYS A 589 27.166 -1.255 5.016 1.00 0.00 C ATOM 50 C LYS A 589 26.311 -0.958 3.777 1.00 0.00 C ATOM 51 O LYS A 589 26.638 -0.103 2.947 1.00 0.00 O ATOM 52 CB LYS A 589 27.145 -0.053 6.000 1.00 0.00 C ATOM 53 CG LYS A 589 27.043 1.329 5.351 1.00 0.00 C ATOM 54 CD LYS A 589 28.377 1.812 4.806 1.00 0.00 C ATOM 55 CE LYS A 589 28.222 3.080 3.981 1.00 0.00 C ATOM 56 NZ LYS A 589 27.442 2.845 2.736 1.00 0.00 N ATOM 0 H LYS A 589 29.263 -1.178 5.201 1.00 0.00 H new ATOM 0 HA LYS A 589 26.730 -2.112 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 589 26.303 -0.178 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 589 28.051 -0.085 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 589 26.314 1.295 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 589 26.672 2.045 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 589 29.062 1.998 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 589 28.823 1.030 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 589 27.726 3.844 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 589 29.208 3.467 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 28.028 3.080 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 27.159 1.845 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 26.593 3.445 2.740 1.00 0.00 H new ATOM 70 N GLY A 590 25.250 -1.729 3.631 1.00 0.00 N ATOM 71 CA GLY A 590 24.358 -1.564 2.513 1.00 0.00 C ATOM 72 C GLY A 590 23.511 -2.799 2.305 1.00 0.00 C ATOM 73 O GLY A 590 23.815 -3.641 1.462 1.00 0.00 O ATOM 0 H GLY A 590 24.990 -2.475 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 590 23.713 -0.702 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 590 24.935 -1.359 1.611 1.00 0.00 H new ATOM 77 N TRP A 591 22.453 -2.914 3.088 1.00 0.00 N ATOM 78 CA TRP A 591 21.541 -4.052 2.982 1.00 0.00 C ATOM 79 C TRP A 591 20.505 -3.750 1.907 1.00 0.00 C ATOM 80 O TRP A 591 20.210 -4.568 1.038 1.00 0.00 O ATOM 81 CB TRP A 591 20.812 -4.314 4.309 1.00 0.00 C ATOM 82 CG TRP A 591 21.319 -3.496 5.464 1.00 0.00 C ATOM 83 CD1 TRP A 591 22.174 -3.895 6.453 1.00 0.00 C ATOM 84 CD2 TRP A 591 20.990 -2.128 5.744 1.00 0.00 C ATOM 85 NE1 TRP A 591 22.385 -2.858 7.334 1.00 0.00 N ATOM 86 CE2 TRP A 591 21.670 -1.765 6.919 1.00 0.00 C ATOM 87 CE3 TRP A 591 20.181 -1.180 5.114 1.00 0.00 C ATOM 88 CZ2 TRP A 591 21.565 -0.489 7.476 1.00 0.00 C ATOM 89 CZ3 TRP A 591 20.079 0.082 5.665 1.00 0.00 C ATOM 90 CH2 TRP A 591 20.768 0.419 6.834 1.00 0.00 C ATOM 0 H TRP A 591 22.199 -2.236 3.806 1.00 0.00 H new ATOM 0 HA TRP A 591 22.124 -4.937 2.729 1.00 0.00 H new ATOM 0 HB2 TRP A 591 19.750 -4.111 4.173 1.00 0.00 H new ATOM 0 HB3 TRP A 591 20.905 -5.371 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 591 22.618 -4.877 6.532 1.00 0.00 H new ATOM 0 HE1 TRP A 591 22.978 -2.897 8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 591 19.644 -1.430 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 22.094 -0.228 8.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 19.456 0.822 5.184 1.00 0.00 H new ATOM 0 HH2 TRP A 591 20.669 1.416 7.238 1.00 0.00 H new ATOM 101 N HIS A 592 19.957 -2.544 1.995 1.00 0.00 N ATOM 102 CA HIS A 592 18.871 -2.110 1.133 1.00 0.00 C ATOM 103 C HIS A 592 19.392 -1.264 -0.021 1.00 0.00 C ATOM 104 O HIS A 592 18.610 -0.705 -0.779 1.00 0.00 O ATOM 105 CB HIS A 592 17.808 -1.355 1.936 1.00 0.00 C ATOM 106 CG HIS A 592 16.952 -2.260 2.774 1.00 0.00 C ATOM 107 ND1 HIS A 592 17.039 -2.333 4.148 1.00 0.00 N ATOM 108 CD2 HIS A 592 15.988 -3.143 2.416 1.00 0.00 C ATOM 109 CE1 HIS A 592 16.172 -3.223 4.595 1.00 0.00 C ATOM 110 NE2 HIS A 592 15.518 -3.728 3.566 1.00 0.00 N ATOM 0 H HIS A 592 20.256 -1.839 2.669 1.00 0.00 H new ATOM 0 HA HIS A 592 18.403 -2.998 0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 592 18.298 -0.627 2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 592 17.172 -0.795 1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 592 15.651 -3.349 1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 592 16.023 -3.493 5.630 1.00 0.00 H new ATOM 0 HE2 HIS A 592 14.785 -4.435 3.617 1.00 0.00 H new ATOM 119 N GLU A 593 20.718 -1.153 -0.126 1.00 0.00 N ATOM 120 CA GLU A 593 21.367 -0.241 -1.073 1.00 0.00 C ATOM 121 C GLU A 593 20.862 -0.421 -2.507 1.00 0.00 C ATOM 122 O GLU A 593 20.845 0.529 -3.289 1.00 0.00 O ATOM 123 CB GLU A 593 22.884 -0.433 -1.032 1.00 0.00 C ATOM 124 CG GLU A 593 23.337 -1.838 -1.401 1.00 0.00 C ATOM 125 CD GLU A 593 24.841 -1.951 -1.531 1.00 0.00 C ATOM 126 OE1 GLU A 593 25.529 -2.022 -0.494 1.00 0.00 O ATOM 127 OE2 GLU A 593 25.342 -1.974 -2.673 1.00 0.00 O ATOM 0 H GLU A 593 21.372 -1.692 0.442 1.00 0.00 H new ATOM 0 HA GLU A 593 21.110 0.772 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.349 0.279 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.243 -0.197 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 593 22.988 -2.539 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 593 22.872 -2.130 -2.343 1.00 0.00 H new ATOM 134 N HIS A 594 20.449 -1.636 -2.850 1.00 0.00 N ATOM 135 CA HIS A 594 19.892 -1.912 -4.177 1.00 0.00 C ATOM 136 C HIS A 594 18.429 -1.470 -4.274 1.00 0.00 C ATOM 137 O HIS A 594 17.662 -1.989 -5.084 1.00 0.00 O ATOM 138 CB HIS A 594 20.045 -3.401 -4.559 1.00 0.00 C ATOM 139 CG HIS A 594 19.466 -4.398 -3.586 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.094 -5.670 -3.961 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.260 -4.337 -2.247 1.00 0.00 C ATOM 142 CE1 HIS A 594 18.692 -6.342 -2.901 1.00 0.00 C ATOM 143 NE2 HIS A 594 18.785 -5.559 -1.842 1.00 0.00 N ATOM 0 H HIS A 594 20.488 -2.446 -2.232 1.00 0.00 H new ATOM 0 HA HIS A 594 20.466 -1.325 -4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.575 -3.556 -5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.106 -3.617 -4.681 1.00 0.00 H new ATOM 0 HD2 HIS A 594 19.438 -3.481 -1.613 1.00 0.00 H new ATOM 0 HE1 HIS A 594 18.344 -7.364 -2.899 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.545 -5.818 -0.885 1.00 0.00 H new ATOM 152 N VAL A 595 18.056 -0.517 -3.430 1.00 0.00 N ATOM 153 CA VAL A 595 16.742 0.107 -3.470 1.00 0.00 C ATOM 154 C VAL A 595 16.892 1.610 -3.268 1.00 0.00 C ATOM 155 O VAL A 595 17.617 2.051 -2.376 1.00 0.00 O ATOM 156 CB VAL A 595 15.810 -0.452 -2.371 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.478 0.293 -2.344 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.587 -1.943 -2.556 1.00 0.00 C ATOM 0 H VAL A 595 18.661 -0.154 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 595 16.298 -0.111 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 595 16.301 -0.297 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.844 -0.123 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.656 1.350 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 595 13.981 0.185 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 595 14.928 -2.313 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.130 -2.125 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.543 -2.463 -2.502 1.00 0.00 H new ATOM 168 N THR A 596 16.217 2.389 -4.096 1.00 0.00 N ATOM 169 CA THR A 596 16.269 3.837 -3.985 1.00 0.00 C ATOM 170 C THR A 596 15.152 4.365 -3.080 1.00 0.00 C ATOM 171 O THR A 596 14.189 3.652 -2.780 1.00 0.00 O ATOM 172 CB THR A 596 16.194 4.508 -5.379 1.00 0.00 C ATOM 173 OG1 THR A 596 16.097 5.932 -5.253 1.00 0.00 O ATOM 174 CG2 THR A 596 15.012 3.989 -6.181 1.00 0.00 C ATOM 0 H THR A 596 15.627 2.043 -4.852 1.00 0.00 H new ATOM 0 HA THR A 596 17.226 4.094 -3.531 1.00 0.00 H new ATOM 0 HB THR A 596 17.112 4.256 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 596 16.052 6.337 -6.144 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.989 4.480 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.111 2.913 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.087 4.202 -5.645 1.00 0.00 H new ATOM 182 N GLN A 597 15.291 5.611 -2.646 1.00 0.00 N ATOM 183 CA GLN A 597 14.301 6.260 -1.800 1.00 0.00 C ATOM 184 C GLN A 597 12.991 6.415 -2.564 1.00 0.00 C ATOM 185 O GLN A 597 11.904 6.173 -2.032 1.00 0.00 O ATOM 186 CB GLN A 597 14.821 7.635 -1.370 1.00 0.00 C ATOM 187 CG GLN A 597 13.909 8.374 -0.406 1.00 0.00 C ATOM 188 CD GLN A 597 13.838 7.718 0.958 1.00 0.00 C ATOM 189 OE1 GLN A 597 12.812 7.781 1.634 1.00 0.00 O ATOM 190 NE2 GLN A 597 14.928 7.090 1.377 1.00 0.00 N ATOM 0 H GLN A 597 16.093 6.199 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 597 14.124 5.649 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.799 7.511 -0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.966 8.250 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 597 14.262 9.399 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.907 8.427 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 597 15.759 7.061 0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 597 14.936 6.636 2.290 1.00 0.00 H new ATOM 199 N ASP A 598 13.126 6.802 -3.825 1.00 0.00 N ATOM 200 CA ASP A 598 11.982 7.048 -4.697 1.00 0.00 C ATOM 201 C ASP A 598 11.118 5.801 -4.842 1.00 0.00 C ATOM 202 O ASP A 598 9.888 5.891 -4.846 1.00 0.00 O ATOM 203 CB ASP A 598 12.439 7.530 -6.075 1.00 0.00 C ATOM 204 CG ASP A 598 11.273 7.918 -6.963 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.784 9.061 -6.844 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.835 7.084 -7.783 1.00 0.00 O ATOM 0 H ASP A 598 14.029 6.955 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 598 11.381 7.830 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 598 13.103 8.386 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.016 6.743 -6.560 1.00 0.00 H new ATOM 211 N LEU A 599 11.767 4.642 -4.943 1.00 0.00 N ATOM 212 CA LEU A 599 11.068 3.380 -5.137 1.00 0.00 C ATOM 213 C LEU A 599 10.012 3.169 -4.062 1.00 0.00 C ATOM 214 O LEU A 599 8.865 2.850 -4.371 1.00 0.00 O ATOM 215 CB LEU A 599 12.060 2.207 -5.135 1.00 0.00 C ATOM 216 CG LEU A 599 11.479 0.888 -5.638 1.00 0.00 C ATOM 217 CD1 LEU A 599 10.939 1.072 -7.042 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.527 -0.213 -5.607 1.00 0.00 C ATOM 0 H LEU A 599 12.782 4.555 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 599 10.570 3.421 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.918 2.471 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.431 2.063 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 599 10.664 0.589 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.525 0.129 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.158 1.832 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.746 1.388 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.089 -1.143 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.366 0.066 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.878 -0.352 -4.585 1.00 0.00 H new ATOM 230 N ARG A 600 10.397 3.381 -2.809 1.00 0.00 N ATOM 231 CA ARG A 600 9.478 3.200 -1.693 1.00 0.00 C ATOM 232 C ARG A 600 8.238 4.073 -1.842 1.00 0.00 C ATOM 233 O ARG A 600 7.116 3.577 -1.766 1.00 0.00 O ATOM 234 CB ARG A 600 10.160 3.503 -0.360 1.00 0.00 C ATOM 235 CG ARG A 600 11.079 2.395 0.119 1.00 0.00 C ATOM 236 CD ARG A 600 11.274 2.455 1.625 1.00 0.00 C ATOM 237 NE ARG A 600 12.117 3.574 2.047 1.00 0.00 N ATOM 238 CZ ARG A 600 11.689 4.591 2.798 1.00 0.00 C ATOM 239 NH1 ARG A 600 10.393 4.773 3.018 1.00 0.00 N ATOM 240 NH2 ARG A 600 12.559 5.460 3.290 1.00 0.00 N ATOM 0 H ARG A 600 11.336 3.677 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 600 9.170 2.154 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.735 4.424 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.396 3.682 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.661 1.427 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.045 2.479 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 600 10.301 2.537 2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 600 11.721 1.521 1.966 1.00 0.00 H new ATOM 0 HE ARG A 600 13.092 3.577 1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 600 9.712 4.132 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 600 10.078 5.554 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 600 13.554 5.351 3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 600 12.234 6.238 3.864 1.00 0.00 H new ATOM 254 N SER A 601 8.435 5.363 -2.092 1.00 0.00 N ATOM 255 CA SER A 601 7.316 6.285 -2.220 1.00 0.00 C ATOM 256 C SER A 601 6.450 5.925 -3.425 1.00 0.00 C ATOM 257 O SER A 601 5.221 5.973 -3.356 1.00 0.00 O ATOM 258 CB SER A 601 7.821 7.730 -2.311 1.00 0.00 C ATOM 259 OG SER A 601 8.833 7.869 -3.298 1.00 0.00 O ATOM 0 H SER A 601 9.354 5.790 -2.209 1.00 0.00 H new ATOM 0 HA SER A 601 6.694 6.199 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.988 8.393 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.212 8.041 -1.342 1.00 0.00 H new ATOM 0 HG SER A 601 8.987 7.004 -3.732 1.00 0.00 H new ATOM 265 N HIS A 602 7.101 5.545 -4.523 1.00 0.00 N ATOM 266 CA HIS A 602 6.394 5.166 -5.744 1.00 0.00 C ATOM 267 C HIS A 602 5.458 3.992 -5.467 1.00 0.00 C ATOM 268 O HIS A 602 4.283 4.016 -5.835 1.00 0.00 O ATOM 269 CB HIS A 602 7.391 4.790 -6.853 1.00 0.00 C ATOM 270 CG HIS A 602 6.783 4.742 -8.222 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.603 5.859 -9.006 1.00 0.00 N ATOM 272 CD2 HIS A 602 6.321 3.699 -8.947 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.056 5.507 -10.153 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.876 4.199 -10.145 1.00 0.00 N ATOM 0 H HIS A 602 8.117 5.492 -4.592 1.00 0.00 H new ATOM 0 HA HIS A 602 5.806 6.020 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.208 5.511 -6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.825 3.817 -6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 602 6.305 2.664 -8.640 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.799 6.175 -10.962 1.00 0.00 H new ATOM 0 HE2 HIS A 602 5.473 3.650 -10.904 1.00 0.00 H new ATOM 283 N LEU A 603 5.996 2.970 -4.817 1.00 0.00 N ATOM 284 CA LEU A 603 5.233 1.776 -4.470 1.00 0.00 C ATOM 285 C LEU A 603 4.095 2.081 -3.497 1.00 0.00 C ATOM 286 O LEU A 603 3.015 1.500 -3.606 1.00 0.00 O ATOM 287 CB LEU A 603 6.161 0.701 -3.908 1.00 0.00 C ATOM 288 CG LEU A 603 7.299 0.297 -4.851 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.327 -0.555 -4.129 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.753 -0.442 -6.063 1.00 0.00 C ATOM 0 H LEU A 603 6.970 2.943 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 603 4.773 1.401 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.590 1.060 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.571 -0.184 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 603 7.792 1.207 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 603 9.124 -0.828 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.747 0.009 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.849 -1.459 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.576 -0.720 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.230 -1.341 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 603 6.061 0.205 -6.602 1.00 0.00 H new ATOM 302 N VAL A 604 4.334 2.976 -2.541 1.00 0.00 N ATOM 303 CA VAL A 604 3.295 3.375 -1.592 1.00 0.00 C ATOM 304 C VAL A 604 2.074 3.939 -2.322 1.00 0.00 C ATOM 305 O VAL A 604 0.935 3.637 -1.963 1.00 0.00 O ATOM 306 CB VAL A 604 3.817 4.415 -0.569 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.673 5.005 0.246 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.838 3.780 0.362 1.00 0.00 C ATOM 0 H VAL A 604 5.233 3.437 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 604 3.003 2.477 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 604 4.295 5.220 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.069 5.732 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 604 1.967 5.498 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.164 4.208 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.194 4.525 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.374 2.955 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.679 3.405 -0.222 1.00 0.00 H new ATOM 318 N HIS A 605 2.311 4.734 -3.364 1.00 0.00 N ATOM 319 CA HIS A 605 1.213 5.298 -4.153 1.00 0.00 C ATOM 320 C HIS A 605 0.408 4.194 -4.824 1.00 0.00 C ATOM 321 O HIS A 605 -0.808 4.294 -4.930 1.00 0.00 O ATOM 322 CB HIS A 605 1.703 6.299 -5.205 1.00 0.00 C ATOM 323 CG HIS A 605 2.154 7.607 -4.631 1.00 0.00 C ATOM 324 ND1 HIS A 605 1.281 8.622 -4.299 1.00 0.00 N ATOM 325 CD2 HIS A 605 3.390 8.067 -4.337 1.00 0.00 C ATOM 326 CE1 HIS A 605 1.964 9.648 -3.828 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.245 9.337 -3.839 1.00 0.00 N ATOM 0 H HIS A 605 3.243 5.001 -3.681 1.00 0.00 H new ATOM 0 HA HIS A 605 0.573 5.839 -3.456 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.528 5.853 -5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.900 6.484 -5.919 1.00 0.00 H new ATOM 0 HD2 HIS A 605 4.320 7.534 -4.470 1.00 0.00 H new ATOM 0 HE1 HIS A 605 1.545 10.584 -3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 605 4.005 9.942 -3.528 1.00 0.00 H new ATOM 336 N LYS A 606 1.093 3.152 -5.295 1.00 0.00 N ATOM 337 CA LYS A 606 0.422 1.999 -5.893 1.00 0.00 C ATOM 338 C LYS A 606 -0.543 1.367 -4.896 1.00 0.00 C ATOM 339 O LYS A 606 -1.638 0.936 -5.255 1.00 0.00 O ATOM 340 CB LYS A 606 1.435 0.952 -6.358 1.00 0.00 C ATOM 341 CG LYS A 606 2.315 1.414 -7.504 1.00 0.00 C ATOM 342 CD LYS A 606 3.228 0.296 -7.979 1.00 0.00 C ATOM 343 CE LYS A 606 4.041 0.714 -9.192 1.00 0.00 C ATOM 344 NZ LYS A 606 3.176 1.053 -10.353 1.00 0.00 N ATOM 0 H LYS A 606 2.110 3.083 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.136 2.354 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.069 0.674 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.899 0.053 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 606 1.692 1.754 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.915 2.266 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 606 3.901 0.007 -7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.631 -0.582 -8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 606 4.658 1.575 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 606 4.720 -0.093 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 3.746 1.051 -11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 2.415 0.349 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 2.761 1.996 -10.213 1.00 0.00 H new ATOM 358 N LEU A 607 -0.117 1.308 -3.642 1.00 0.00 N ATOM 359 CA LEU A 607 -0.945 0.769 -2.575 1.00 0.00 C ATOM 360 C LEU A 607 -2.181 1.648 -2.392 1.00 0.00 C ATOM 361 O LEU A 607 -3.305 1.149 -2.334 1.00 0.00 O ATOM 362 CB LEU A 607 -0.125 0.688 -1.281 1.00 0.00 C ATOM 363 CG LEU A 607 -0.667 -0.250 -0.199 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.418 -0.557 0.813 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.869 0.355 0.502 1.00 0.00 C ATOM 0 H LEU A 607 0.802 1.629 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.277 -0.237 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.887 0.371 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -0.049 1.690 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.984 -1.174 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.023 -1.225 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.258 -1.037 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.754 0.370 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.231 -0.335 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.581 1.296 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.660 0.539 -0.225 1.00 0.00 H new ATOM 377 N VAL A 608 -1.959 2.957 -2.300 1.00 0.00 N ATOM 378 CA VAL A 608 -3.050 3.928 -2.254 1.00 0.00 C ATOM 379 C VAL A 608 -3.965 3.784 -3.472 1.00 0.00 C ATOM 380 O VAL A 608 -5.186 3.819 -3.350 1.00 0.00 O ATOM 381 CB VAL A 608 -2.504 5.373 -2.196 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.635 6.392 -2.179 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.606 5.555 -0.982 1.00 0.00 C ATOM 0 H VAL A 608 -1.028 3.372 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.624 3.726 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.914 5.543 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.218 7.398 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.235 6.285 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.263 6.224 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.231 6.578 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.176 5.356 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.767 4.862 -1.043 1.00 0.00 H new ATOM 393 N GLN A 609 -3.352 3.609 -4.639 1.00 0.00 N ATOM 394 CA GLN A 609 -4.075 3.421 -5.894 1.00 0.00 C ATOM 395 C GLN A 609 -5.038 2.239 -5.792 1.00 0.00 C ATOM 396 O GLN A 609 -6.167 2.300 -6.276 1.00 0.00 O ATOM 397 CB GLN A 609 -3.073 3.182 -7.032 1.00 0.00 C ATOM 398 CG GLN A 609 -3.690 3.123 -8.423 1.00 0.00 C ATOM 399 CD GLN A 609 -4.257 4.456 -8.880 1.00 0.00 C ATOM 400 OE1 GLN A 609 -5.212 4.504 -9.655 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.664 5.548 -8.421 1.00 0.00 N ATOM 0 H GLN A 609 -2.337 3.593 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.656 4.320 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.327 3.977 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.546 2.247 -6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -2.934 2.793 -9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.483 2.376 -8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -2.875 5.469 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -3.997 6.468 -8.709 1.00 0.00 H new ATOM 410 N ALA A 610 -4.571 1.165 -5.165 1.00 0.00 N ATOM 411 CA ALA A 610 -5.383 -0.026 -4.960 1.00 0.00 C ATOM 412 C ALA A 610 -6.615 0.271 -4.106 1.00 0.00 C ATOM 413 O ALA A 610 -7.705 -0.232 -4.386 1.00 0.00 O ATOM 414 CB ALA A 610 -4.548 -1.128 -4.325 1.00 0.00 C ATOM 0 H ALA A 610 -3.626 1.096 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.734 -0.362 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.166 -2.013 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.712 -1.375 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.166 -0.787 -3.363 1.00 0.00 H new ATOM 420 N ILE A 611 -6.445 1.091 -3.073 1.00 0.00 N ATOM 421 CA ILE A 611 -7.550 1.411 -2.172 1.00 0.00 C ATOM 422 C ILE A 611 -8.450 2.491 -2.780 1.00 0.00 C ATOM 423 O ILE A 611 -9.670 2.462 -2.607 1.00 0.00 O ATOM 424 CB ILE A 611 -7.042 1.896 -0.757 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.284 0.790 0.013 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.185 2.437 0.104 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.291 1.332 1.019 1.00 0.00 C ATOM 0 H ILE A 611 -5.561 1.543 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.119 0.491 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.341 2.706 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.006 0.158 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.758 0.156 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.793 2.760 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.651 3.284 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.927 1.653 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.795 0.503 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.548 1.941 0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.815 1.943 1.754 1.00 0.00 H new ATOM 439 N PHE A 612 -7.862 3.415 -3.527 1.00 0.00 N ATOM 440 CA PHE A 612 -8.594 4.574 -4.005 1.00 0.00 C ATOM 441 C PHE A 612 -7.943 5.114 -5.276 1.00 0.00 C ATOM 442 O PHE A 612 -7.051 5.961 -5.210 1.00 0.00 O ATOM 443 CB PHE A 612 -8.610 5.653 -2.917 1.00 0.00 C ATOM 444 CG PHE A 612 -9.792 6.577 -2.991 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.018 6.187 -2.480 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.680 7.832 -3.564 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.110 7.030 -2.539 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.769 8.681 -3.625 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.986 8.279 -3.113 1.00 0.00 C ATOM 0 H PHE A 612 -6.883 3.383 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.619 4.285 -4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.600 5.170 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.696 6.242 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.122 5.211 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.731 8.152 -3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.060 6.712 -2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.668 9.658 -4.073 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.839 8.940 -3.161 1.00 0.00 H new ATOM 459 N PRO A 613 -8.370 4.631 -6.455 1.00 0.00 N ATOM 460 CA PRO A 613 -7.736 5.005 -7.725 1.00 0.00 C ATOM 461 C PRO A 613 -8.171 6.385 -8.212 1.00 0.00 C ATOM 462 O PRO A 613 -7.390 7.109 -8.833 1.00 0.00 O ATOM 463 CB PRO A 613 -8.215 3.917 -8.695 1.00 0.00 C ATOM 464 CG PRO A 613 -9.511 3.418 -8.130 1.00 0.00 C ATOM 465 CD PRO A 613 -9.494 3.680 -6.640 1.00 0.00 C ATOM 0 HA PRO A 613 -6.652 5.068 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.354 4.319 -9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.485 3.111 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.354 3.927 -8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.631 2.353 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.438 4.106 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.337 2.761 -6.075 1.00 0.00 H new ATOM 473 N THR A 614 -9.413 6.740 -7.914 1.00 0.00 N ATOM 474 CA THR A 614 -10.009 7.978 -8.404 1.00 0.00 C ATOM 475 C THR A 614 -9.303 9.224 -7.863 1.00 0.00 C ATOM 476 O THR A 614 -9.251 9.438 -6.650 1.00 0.00 O ATOM 477 CB THR A 614 -11.500 8.041 -8.030 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.652 7.764 -6.632 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.303 7.034 -8.843 1.00 0.00 C ATOM 0 H THR A 614 -10.035 6.182 -7.329 1.00 0.00 H new ATOM 0 HA THR A 614 -9.893 7.971 -9.488 1.00 0.00 H new ATOM 0 HB THR A 614 -11.875 9.040 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 614 -10.960 8.241 -6.127 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.354 7.096 -8.562 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.197 7.256 -9.905 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.933 6.028 -8.644 1.00 0.00 H new ATOM 487 N PRO A 615 -8.745 10.057 -8.758 1.00 0.00 N ATOM 488 CA PRO A 615 -8.141 11.342 -8.388 1.00 0.00 C ATOM 489 C PRO A 615 -9.216 12.397 -8.125 1.00 0.00 C ATOM 490 O PRO A 615 -9.671 13.084 -9.045 1.00 0.00 O ATOM 491 CB PRO A 615 -7.300 11.722 -9.626 1.00 0.00 C ATOM 492 CG PRO A 615 -7.350 10.520 -10.529 1.00 0.00 C ATOM 493 CD PRO A 615 -8.643 9.827 -10.206 1.00 0.00 C ATOM 0 HA PRO A 615 -7.550 11.279 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.707 12.603 -10.122 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -6.274 11.960 -9.346 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -7.315 10.816 -11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.498 9.863 -10.354 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.485 10.255 -10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.612 8.765 -10.452 1.00 0.00 H new ATOM 501 N ASP A 616 -9.634 12.504 -6.874 1.00 0.00 N ATOM 502 CA ASP A 616 -10.690 13.435 -6.496 1.00 0.00 C ATOM 503 C ASP A 616 -10.094 14.664 -5.819 1.00 0.00 C ATOM 504 O ASP A 616 -9.361 14.546 -4.838 1.00 0.00 O ATOM 505 CB ASP A 616 -11.687 12.753 -5.553 1.00 0.00 C ATOM 506 CG ASP A 616 -12.871 13.643 -5.235 1.00 0.00 C ATOM 507 OD1 ASP A 616 -12.766 14.488 -4.320 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.911 13.507 -5.912 1.00 0.00 O ATOM 0 H ASP A 616 -9.258 11.957 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.214 13.748 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.041 11.828 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.181 12.479 -4.627 1.00 0.00 H new ATOM 513 N PRO A 617 -10.404 15.865 -6.351 1.00 0.00 N ATOM 514 CA PRO A 617 -9.826 17.130 -5.874 1.00 0.00 C ATOM 515 C PRO A 617 -10.093 17.408 -4.397 1.00 0.00 C ATOM 516 O PRO A 617 -9.265 18.025 -3.722 1.00 0.00 O ATOM 517 CB PRO A 617 -10.513 18.205 -6.738 1.00 0.00 C ATOM 518 CG PRO A 617 -11.710 17.536 -7.317 1.00 0.00 C ATOM 519 CD PRO A 617 -11.335 16.089 -7.475 1.00 0.00 C ATOM 0 HA PRO A 617 -8.740 17.109 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.797 19.070 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.846 18.566 -7.521 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.574 17.647 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.978 17.977 -8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.206 15.437 -7.414 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.860 15.897 -8.437 1.00 0.00 H new ATOM 527 N ALA A 618 -11.238 16.963 -3.893 1.00 0.00 N ATOM 528 CA ALA A 618 -11.612 17.236 -2.514 1.00 0.00 C ATOM 529 C ALA A 618 -11.092 16.148 -1.590 1.00 0.00 C ATOM 530 O ALA A 618 -10.525 16.440 -0.535 1.00 0.00 O ATOM 531 CB ALA A 618 -13.123 17.362 -2.389 1.00 0.00 C ATOM 0 H ALA A 618 -11.920 16.414 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.158 18.182 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.386 17.566 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.473 18.179 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.593 16.431 -2.706 1.00 0.00 H new ATOM 537 N ALA A 619 -11.306 14.897 -1.988 1.00 0.00 N ATOM 538 CA ALA A 619 -10.804 13.743 -1.244 1.00 0.00 C ATOM 539 C ALA A 619 -9.289 13.809 -1.064 1.00 0.00 C ATOM 540 O ALA A 619 -8.748 13.302 -0.083 1.00 0.00 O ATOM 541 CB ALA A 619 -11.193 12.453 -1.953 1.00 0.00 C ATOM 0 H ALA A 619 -11.829 14.654 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.259 13.760 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.814 11.600 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.279 12.389 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.765 12.445 -2.955 1.00 0.00 H new ATOM 547 N LEU A 620 -8.616 14.452 -2.011 1.00 0.00 N ATOM 548 CA LEU A 620 -7.165 14.606 -1.955 1.00 0.00 C ATOM 549 C LEU A 620 -6.768 15.448 -0.739 1.00 0.00 C ATOM 550 O LEU A 620 -5.694 15.268 -0.166 1.00 0.00 O ATOM 551 CB LEU A 620 -6.656 15.266 -3.246 1.00 0.00 C ATOM 552 CG LEU A 620 -5.387 14.655 -3.867 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.193 14.774 -2.933 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.622 13.199 -4.248 1.00 0.00 C ATOM 0 H LEU A 620 -9.052 14.877 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.710 13.620 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.453 15.227 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.464 16.319 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.159 15.221 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.316 14.332 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.000 15.826 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.406 14.250 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.713 12.786 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -5.888 12.629 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.433 13.139 -4.974 1.00 0.00 H new ATOM 566 N LYS A 621 -7.648 16.361 -0.342 1.00 0.00 N ATOM 567 CA LYS A 621 -7.395 17.231 0.806 1.00 0.00 C ATOM 568 C LYS A 621 -8.176 16.754 2.031 1.00 0.00 C ATOM 569 O LYS A 621 -8.341 17.490 3.004 1.00 0.00 O ATOM 570 CB LYS A 621 -7.786 18.677 0.479 1.00 0.00 C ATOM 571 CG LYS A 621 -7.066 19.249 -0.734 1.00 0.00 C ATOM 572 CD LYS A 621 -7.395 20.721 -0.942 1.00 0.00 C ATOM 573 CE LYS A 621 -8.882 20.944 -1.166 1.00 0.00 C ATOM 574 NZ LYS A 621 -9.197 22.380 -1.378 1.00 0.00 N ATOM 0 H LYS A 621 -8.546 16.520 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.329 17.190 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.861 18.723 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.575 19.305 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.990 19.131 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.346 18.684 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -7.069 21.292 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.838 21.100 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -9.210 20.368 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -9.439 20.572 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -10.220 22.493 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.907 22.926 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -8.685 22.728 -2.214 1.00 0.00 H new ATOM 588 N ASP A 622 -8.641 15.517 1.978 1.00 0.00 N ATOM 589 CA ASP A 622 -9.479 14.953 3.031 1.00 0.00 C ATOM 590 C ASP A 622 -8.644 14.077 3.969 1.00 0.00 C ATOM 591 O ASP A 622 -7.825 13.269 3.523 1.00 0.00 O ATOM 592 CB ASP A 622 -10.612 14.147 2.387 1.00 0.00 C ATOM 593 CG ASP A 622 -11.411 13.329 3.371 1.00 0.00 C ATOM 594 OD1 ASP A 622 -12.400 13.849 3.926 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.071 12.155 3.577 1.00 0.00 O ATOM 0 H ASP A 622 -8.451 14.875 1.208 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.909 15.757 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.283 14.831 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.190 13.482 1.634 1.00 0.00 H new ATOM 600 N ARG A 623 -8.843 14.277 5.275 1.00 0.00 N ATOM 601 CA ARG A 623 -8.080 13.584 6.317 1.00 0.00 C ATOM 602 C ARG A 623 -8.254 12.062 6.260 1.00 0.00 C ATOM 603 O ARG A 623 -7.304 11.319 6.507 1.00 0.00 O ATOM 604 CB ARG A 623 -8.478 14.094 7.707 1.00 0.00 C ATOM 605 CG ARG A 623 -8.138 15.559 7.973 1.00 0.00 C ATOM 606 CD ARG A 623 -6.649 15.829 7.864 1.00 0.00 C ATOM 607 NE ARG A 623 -6.324 17.196 8.266 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.224 17.848 7.893 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.358 17.284 7.058 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.998 19.076 8.343 1.00 0.00 N ATOM 0 H ARG A 623 -9.540 14.926 5.640 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.029 13.804 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.551 13.956 7.836 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -7.985 13.479 8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.673 16.189 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.484 15.836 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.103 15.124 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.322 15.662 6.838 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.983 17.683 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.533 16.346 6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.518 17.789 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.666 19.519 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.156 19.577 8.058 1.00 0.00 H new ATOM 624 N ARG A 624 -9.469 11.602 5.969 1.00 0.00 N ATOM 625 CA ARG A 624 -9.765 10.173 5.889 1.00 0.00 C ATOM 626 C ARG A 624 -8.861 9.485 4.865 1.00 0.00 C ATOM 627 O ARG A 624 -8.387 8.371 5.101 1.00 0.00 O ATOM 628 CB ARG A 624 -11.257 9.964 5.573 1.00 0.00 C ATOM 629 CG ARG A 624 -11.561 9.152 4.317 1.00 0.00 C ATOM 630 CD ARG A 624 -13.024 9.302 3.927 1.00 0.00 C ATOM 631 NE ARG A 624 -13.358 10.713 3.729 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.595 11.205 3.677 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.646 10.393 3.682 1.00 0.00 N ATOM 634 NH2 ARG A 624 -14.772 12.518 3.596 1.00 0.00 N ATOM 0 H ARG A 624 -10.271 12.204 5.783 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.558 9.711 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.724 9.469 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.729 10.942 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.924 9.486 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.331 8.101 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.222 8.743 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.659 8.877 4.704 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.585 11.370 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.510 9.383 3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.589 10.779 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.965 13.141 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -15.715 12.904 3.556 1.00 0.00 H new ATOM 648 N MET A 625 -8.608 10.151 3.737 1.00 0.00 N ATOM 649 CA MET A 625 -7.685 9.614 2.742 1.00 0.00 C ATOM 650 C MET A 625 -6.282 9.475 3.330 1.00 0.00 C ATOM 651 O MET A 625 -5.591 8.491 3.071 1.00 0.00 O ATOM 652 CB MET A 625 -7.652 10.457 1.452 1.00 0.00 C ATOM 653 CG MET A 625 -6.521 10.046 0.505 1.00 0.00 C ATOM 654 SD MET A 625 -6.449 11.028 -1.007 1.00 0.00 S ATOM 655 CE MET A 625 -7.959 10.513 -1.820 1.00 0.00 C ATOM 0 H MET A 625 -9.024 11.050 3.494 1.00 0.00 H new ATOM 0 HA MET A 625 -8.054 8.626 2.466 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.607 10.359 0.935 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.537 11.509 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.570 10.133 1.030 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.644 8.996 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.971 10.894 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.009 9.424 -1.838 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.818 10.907 -1.276 1.00 0.00 H new ATOM 665 N GLU A 626 -5.873 10.447 4.143 1.00 0.00 N ATOM 666 CA GLU A 626 -4.548 10.434 4.745 1.00 0.00 C ATOM 667 C GLU A 626 -4.366 9.211 5.627 1.00 0.00 C ATOM 668 O GLU A 626 -3.293 8.621 5.656 1.00 0.00 O ATOM 669 CB GLU A 626 -4.299 11.703 5.554 1.00 0.00 C ATOM 670 CG GLU A 626 -4.155 12.945 4.698 1.00 0.00 C ATOM 671 CD GLU A 626 -3.812 14.169 5.513 1.00 0.00 C ATOM 672 OE1 GLU A 626 -2.725 14.192 6.123 1.00 0.00 O ATOM 673 OE2 GLU A 626 -4.624 15.117 5.535 1.00 0.00 O ATOM 0 H GLU A 626 -6.443 11.253 4.398 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.820 10.393 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.123 11.846 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.395 11.574 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -3.379 12.780 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.085 13.121 4.158 1.00 0.00 H new ATOM 680 N ASN A 627 -5.420 8.839 6.347 1.00 0.00 N ATOM 681 CA ASN A 627 -5.374 7.671 7.226 1.00 0.00 C ATOM 682 C ASN A 627 -5.002 6.419 6.441 1.00 0.00 C ATOM 683 O ASN A 627 -4.143 5.643 6.859 1.00 0.00 O ATOM 684 CB ASN A 627 -6.721 7.439 7.917 1.00 0.00 C ATOM 685 CG ASN A 627 -7.024 8.429 9.031 1.00 0.00 C ATOM 686 OD1 ASN A 627 -7.718 8.093 9.992 1.00 0.00 O ATOM 687 ND2 ASN A 627 -6.512 9.647 8.924 1.00 0.00 N ATOM 0 H ASN A 627 -6.316 9.327 6.341 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.615 7.870 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.514 7.493 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.738 6.429 8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -6.688 10.340 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -5.942 9.891 8.114 1.00 0.00 H new ATOM 694 N LEU A 628 -5.655 6.230 5.299 1.00 0.00 N ATOM 695 CA LEU A 628 -5.389 5.062 4.457 1.00 0.00 C ATOM 696 C LEU A 628 -3.973 5.145 3.885 1.00 0.00 C ATOM 697 O LEU A 628 -3.276 4.135 3.793 1.00 0.00 O ATOM 698 CB LEU A 628 -6.470 4.894 3.348 1.00 0.00 C ATOM 699 CG LEU A 628 -6.299 5.698 2.045 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.370 4.984 1.072 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.655 5.932 1.398 1.00 0.00 C ATOM 0 H LEU A 628 -6.367 6.863 4.935 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.450 4.165 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.517 3.837 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.435 5.158 3.780 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.848 6.658 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.270 5.577 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.390 4.857 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.784 4.007 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.526 6.501 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.119 4.973 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.293 6.490 2.083 1.00 0.00 H new ATOM 713 N VAL A 629 -3.548 6.351 3.508 1.00 0.00 N ATOM 714 CA VAL A 629 -2.204 6.555 2.979 1.00 0.00 C ATOM 715 C VAL A 629 -1.165 6.265 4.058 1.00 0.00 C ATOM 716 O VAL A 629 -0.121 5.668 3.796 1.00 0.00 O ATOM 717 CB VAL A 629 -2.006 7.989 2.442 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.586 8.184 1.932 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.010 8.292 1.341 1.00 0.00 C ATOM 0 H VAL A 629 -4.115 7.198 3.560 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.075 5.864 2.146 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.173 8.684 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.470 9.201 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.119 8.013 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.389 7.477 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.854 9.307 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.875 7.587 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.022 8.200 1.736 1.00 0.00 H new ATOM 729 N ALA A 630 -1.461 6.705 5.276 1.00 0.00 N ATOM 730 CA ALA A 630 -0.609 6.431 6.418 1.00 0.00 C ATOM 731 C ALA A 630 -0.470 4.927 6.640 1.00 0.00 C ATOM 732 O ALA A 630 0.620 4.441 6.938 1.00 0.00 O ATOM 733 CB ALA A 630 -1.144 7.131 7.663 1.00 0.00 C ATOM 0 H ALA A 630 -2.291 7.256 5.494 1.00 0.00 H new ATOM 0 HA ALA A 630 0.386 6.827 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.493 6.915 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.171 8.207 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.150 6.772 7.878 1.00 0.00 H new ATOM 739 N TYR A 631 -1.568 4.188 6.474 1.00 0.00 N ATOM 740 CA TYR A 631 -1.520 2.732 6.586 1.00 0.00 C ATOM 741 C TYR A 631 -0.645 2.149 5.480 1.00 0.00 C ATOM 742 O TYR A 631 0.063 1.164 5.692 1.00 0.00 O ATOM 743 CB TYR A 631 -2.907 2.078 6.551 1.00 0.00 C ATOM 744 CG TYR A 631 -2.837 0.601 6.860 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.395 0.166 8.103 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.186 -0.355 5.917 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.301 -1.177 8.398 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.099 -1.703 6.207 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.654 -2.108 7.448 1.00 0.00 C ATOM 750 OH TYR A 631 -2.555 -3.452 7.738 1.00 0.00 O ATOM 0 H TYR A 631 -2.490 4.569 6.264 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.089 2.509 7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.559 2.570 7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.353 2.223 5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.120 0.894 8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.530 -0.041 4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.952 -1.497 9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.378 -2.436 5.465 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.843 -3.976 6.962 1.00 0.00 H new ATOM 760 N ALA A 632 -0.715 2.752 4.296 1.00 0.00 N ATOM 761 CA ALA A 632 0.098 2.325 3.163 1.00 0.00 C ATOM 762 C ALA A 632 1.576 2.334 3.545 1.00 0.00 C ATOM 763 O ALA A 632 2.334 1.432 3.179 1.00 0.00 O ATOM 764 CB ALA A 632 -0.154 3.227 1.958 1.00 0.00 C ATOM 0 H ALA A 632 -1.330 3.541 4.097 1.00 0.00 H new ATOM 0 HA ALA A 632 -0.183 1.307 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.460 2.895 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -1.206 3.176 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.104 4.255 2.213 1.00 0.00 H new ATOM 770 N LYS A 633 1.971 3.357 4.299 1.00 0.00 N ATOM 771 CA LYS A 633 3.327 3.465 4.821 1.00 0.00 C ATOM 772 C LYS A 633 3.649 2.324 5.787 1.00 0.00 C ATOM 773 O LYS A 633 4.766 1.807 5.792 1.00 0.00 O ATOM 774 CB LYS A 633 3.515 4.806 5.538 1.00 0.00 C ATOM 775 CG LYS A 633 4.391 5.797 4.787 1.00 0.00 C ATOM 776 CD LYS A 633 3.733 6.283 3.506 1.00 0.00 C ATOM 777 CE LYS A 633 2.625 7.291 3.783 1.00 0.00 C ATOM 778 NZ LYS A 633 3.099 8.422 4.623 1.00 0.00 N ATOM 0 H LYS A 633 1.361 4.131 4.563 1.00 0.00 H new ATOM 0 HA LYS A 633 4.010 3.402 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.537 5.257 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 633 3.952 4.622 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.606 6.650 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.346 5.329 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.485 6.738 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.322 5.432 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.241 7.677 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 633 1.796 6.790 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.645 9.303 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.853 8.243 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.131 8.513 4.532 1.00 0.00 H new ATOM 792 N LYS A 634 2.681 1.955 6.624 1.00 0.00 N ATOM 793 CA LYS A 634 2.862 0.839 7.556 1.00 0.00 C ATOM 794 C LYS A 634 3.246 -0.429 6.804 1.00 0.00 C ATOM 795 O LYS A 634 4.183 -1.132 7.191 1.00 0.00 O ATOM 796 CB LYS A 634 1.591 0.583 8.375 1.00 0.00 C ATOM 797 CG LYS A 634 1.498 1.388 9.664 1.00 0.00 C ATOM 798 CD LYS A 634 1.333 2.872 9.399 1.00 0.00 C ATOM 799 CE LYS A 634 1.192 3.651 10.694 1.00 0.00 C ATOM 800 NZ LYS A 634 0.893 5.084 10.447 1.00 0.00 N ATOM 0 H LYS A 634 1.769 2.408 6.678 1.00 0.00 H new ATOM 0 HA LYS A 634 3.666 1.112 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 634 0.723 0.810 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.539 -0.478 8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 634 0.655 1.030 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.396 1.224 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 634 2.193 3.242 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 634 0.454 3.037 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 634 0.397 3.213 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.113 3.566 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 0.804 5.582 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 1.664 5.509 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 0.001 5.166 9.919 1.00 0.00 H new ATOM 814 N VAL A 635 2.514 -0.710 5.731 1.00 0.00 N ATOM 815 CA VAL A 635 2.829 -1.833 4.857 1.00 0.00 C ATOM 816 C VAL A 635 4.262 -1.736 4.336 1.00 0.00 C ATOM 817 O VAL A 635 4.997 -2.722 4.347 1.00 0.00 O ATOM 818 CB VAL A 635 1.845 -1.924 3.667 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.429 -2.764 2.543 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.519 -2.517 4.115 1.00 0.00 C ATOM 0 H VAL A 635 1.695 -0.173 5.445 1.00 0.00 H new ATOM 0 HA VAL A 635 2.729 -2.739 5.454 1.00 0.00 H new ATOM 0 HB VAL A 635 1.676 -0.913 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.718 -2.813 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.358 -2.312 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.631 -3.771 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 635 -0.160 -2.573 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 635 0.684 -3.518 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.081 -1.886 4.888 1.00 0.00 H new ATOM 830 N GLU A 636 4.659 -0.539 3.910 1.00 0.00 N ATOM 831 CA GLU A 636 6.009 -0.305 3.427 1.00 0.00 C ATOM 832 C GLU A 636 7.030 -0.735 4.475 1.00 0.00 C ATOM 833 O GLU A 636 8.006 -1.419 4.164 1.00 0.00 O ATOM 834 CB GLU A 636 6.193 1.184 3.102 1.00 0.00 C ATOM 835 CG GLU A 636 7.625 1.671 3.258 1.00 0.00 C ATOM 836 CD GLU A 636 7.767 3.171 3.125 1.00 0.00 C ATOM 837 OE1 GLU A 636 7.589 3.880 4.139 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.096 3.650 2.024 1.00 0.00 O ATOM 0 H GLU A 636 4.058 0.285 3.891 1.00 0.00 H new ATOM 0 HA GLU A 636 6.165 -0.894 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 636 5.866 1.367 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.546 1.772 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 636 8.002 1.363 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.250 1.186 2.508 1.00 0.00 H new ATOM 845 N GLY A 637 6.782 -0.340 5.719 1.00 0.00 N ATOM 846 CA GLY A 637 7.688 -0.667 6.803 1.00 0.00 C ATOM 847 C GLY A 637 7.792 -2.158 7.048 1.00 0.00 C ATOM 848 O GLY A 637 8.894 -2.696 7.141 1.00 0.00 O ATOM 0 H GLY A 637 5.965 0.204 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.678 -0.270 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.349 -0.176 7.715 1.00 0.00 H new ATOM 852 N ASP A 638 6.652 -2.829 7.145 1.00 0.00 N ATOM 853 CA ASP A 638 6.633 -4.261 7.437 1.00 0.00 C ATOM 854 C ASP A 638 7.293 -5.063 6.314 1.00 0.00 C ATOM 855 O ASP A 638 8.055 -5.999 6.573 1.00 0.00 O ATOM 856 CB ASP A 638 5.202 -4.745 7.671 1.00 0.00 C ATOM 857 CG ASP A 638 5.156 -6.166 8.198 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.648 -6.399 9.324 1.00 0.00 O ATOM 859 OD2 ASP A 638 4.635 -7.053 7.494 1.00 0.00 O ATOM 0 H ASP A 638 5.730 -2.409 7.027 1.00 0.00 H new ATOM 0 HA ASP A 638 7.207 -4.423 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 638 4.707 -4.081 8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.644 -4.688 6.737 1.00 0.00 H new ATOM 864 N MET A 639 7.010 -4.679 5.072 1.00 0.00 N ATOM 865 CA MET A 639 7.623 -5.320 3.901 1.00 0.00 C ATOM 866 C MET A 639 9.131 -5.074 3.893 1.00 0.00 C ATOM 867 O MET A 639 9.908 -5.939 3.506 1.00 0.00 O ATOM 868 CB MET A 639 7.027 -4.797 2.576 1.00 0.00 C ATOM 869 CG MET A 639 5.508 -4.915 2.453 1.00 0.00 C ATOM 870 SD MET A 639 4.932 -6.617 2.348 1.00 0.00 S ATOM 871 CE MET A 639 3.189 -6.353 2.021 1.00 0.00 C ATOM 0 H MET A 639 6.360 -3.927 4.845 1.00 0.00 H new ATOM 0 HA MET A 639 7.414 -6.387 3.976 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.304 -3.749 2.460 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.486 -5.341 1.750 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.042 -4.434 3.313 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.179 -4.372 1.567 1.00 0.00 H new ATOM 0 HE1 MET A 639 2.756 -7.261 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.678 -6.104 2.951 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.072 -5.534 1.312 1.00 0.00 H new ATOM 881 N TYR A 640 9.512 -3.871 4.322 1.00 0.00 N ATOM 882 CA TYR A 640 10.893 -3.373 4.207 1.00 0.00 C ATOM 883 C TYR A 640 11.938 -4.371 4.729 1.00 0.00 C ATOM 884 O TYR A 640 13.020 -4.474 4.149 1.00 0.00 O ATOM 885 CB TYR A 640 11.068 -2.013 4.914 1.00 0.00 C ATOM 886 CG TYR A 640 12.215 -1.189 4.365 1.00 0.00 C ATOM 887 CD1 TYR A 640 12.304 -0.931 3.003 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.203 -0.668 5.196 1.00 0.00 C ATOM 889 CE1 TYR A 640 13.338 -0.182 2.484 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.244 0.083 4.680 1.00 0.00 C ATOM 891 CZ TYR A 640 14.305 0.323 3.324 1.00 0.00 C ATOM 892 OH TYR A 640 15.342 1.066 2.802 1.00 0.00 O ATOM 0 H TYR A 640 8.873 -3.208 4.761 1.00 0.00 H new ATOM 0 HA TYR A 640 11.069 -3.244 3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.144 -1.442 4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.231 -2.184 5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 640 11.549 -1.325 2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.156 -0.853 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 640 13.390 0.008 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.005 0.479 5.336 1.00 0.00 H new ATOM 0 HH TYR A 640 15.938 1.349 3.526 1.00 0.00 H new ATOM 902 N GLU A 641 11.638 -5.101 5.804 1.00 0.00 N ATOM 903 CA GLU A 641 12.603 -6.091 6.314 1.00 0.00 C ATOM 904 C GLU A 641 12.808 -7.212 5.297 1.00 0.00 C ATOM 905 O GLU A 641 13.939 -7.545 4.941 1.00 0.00 O ATOM 906 CB GLU A 641 12.171 -6.694 7.657 1.00 0.00 C ATOM 907 CG GLU A 641 12.584 -5.852 8.878 1.00 0.00 C ATOM 908 CD GLU A 641 11.701 -4.642 9.077 1.00 0.00 C ATOM 909 OE1 GLU A 641 10.639 -4.782 9.716 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.072 -3.545 8.613 1.00 0.00 O ATOM 0 H GLU A 641 10.765 -5.035 6.328 1.00 0.00 H new ATOM 0 HA GLU A 641 13.541 -5.559 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.088 -6.813 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.602 -7.691 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.548 -6.474 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.617 -5.527 8.757 1.00 0.00 H new ATOM 917 N SER A 642 11.702 -7.774 4.827 1.00 0.00 N ATOM 918 CA SER A 642 11.725 -8.824 3.812 1.00 0.00 C ATOM 919 C SER A 642 12.291 -8.294 2.493 1.00 0.00 C ATOM 920 O SER A 642 12.982 -9.010 1.770 1.00 0.00 O ATOM 921 CB SER A 642 10.319 -9.375 3.602 1.00 0.00 C ATOM 922 OG SER A 642 9.748 -9.793 4.831 1.00 0.00 O ATOM 0 H SER A 642 10.765 -7.517 5.137 1.00 0.00 H new ATOM 0 HA SER A 642 12.374 -9.628 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.690 -8.611 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.354 -10.215 2.909 1.00 0.00 H new ATOM 0 HG SER A 642 8.846 -10.141 4.671 1.00 0.00 H new ATOM 928 N ALA A 643 11.944 -7.044 2.186 1.00 0.00 N ATOM 929 CA ALA A 643 12.398 -6.311 0.992 1.00 0.00 C ATOM 930 C ALA A 643 13.924 -6.261 0.796 1.00 0.00 C ATOM 931 O ALA A 643 14.425 -5.402 0.069 1.00 0.00 O ATOM 932 CB ALA A 643 11.860 -4.894 1.041 1.00 0.00 C ATOM 0 H ALA A 643 11.321 -6.492 2.776 1.00 0.00 H new ATOM 0 HA ALA A 643 12.008 -6.869 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.194 -4.347 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.770 -4.919 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.229 -4.396 1.938 1.00 0.00 H new ATOM 938 N ASN A 644 14.660 -7.152 1.433 1.00 0.00 N ATOM 939 CA ASN A 644 16.110 -7.176 1.313 1.00 0.00 C ATOM 940 C ASN A 644 16.500 -7.944 0.040 1.00 0.00 C ATOM 941 O ASN A 644 17.635 -8.390 -0.119 1.00 0.00 O ATOM 942 CB ASN A 644 16.741 -7.790 2.589 1.00 0.00 C ATOM 943 CG ASN A 644 18.179 -7.322 2.851 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.540 -7.035 3.991 1.00 0.00 O ATOM 945 ND2 ASN A 644 19.019 -7.282 1.820 1.00 0.00 N ATOM 0 H ASN A 644 14.277 -7.874 2.043 1.00 0.00 H new ATOM 0 HA ASN A 644 16.497 -6.161 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.122 -7.534 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.732 -8.876 2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 644 19.991 -7.008 1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 644 18.691 -7.526 0.885 1.00 0.00 H new ATOM 952 N SER A 645 15.544 -8.078 -0.883 1.00 0.00 N ATOM 953 CA SER A 645 15.785 -8.710 -2.166 1.00 0.00 C ATOM 954 C SER A 645 14.842 -8.114 -3.209 1.00 0.00 C ATOM 955 O SER A 645 13.659 -7.922 -2.919 1.00 0.00 O ATOM 956 CB SER A 645 15.587 -10.224 -2.060 1.00 0.00 C ATOM 957 OG SER A 645 16.421 -10.777 -1.054 1.00 0.00 O ATOM 0 H SER A 645 14.587 -7.750 -0.755 1.00 0.00 H new ATOM 0 HA SER A 645 16.815 -8.526 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.544 -10.443 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.809 -10.691 -3.019 1.00 0.00 H new ATOM 0 HG SER A 645 16.275 -11.745 -1.004 1.00 0.00 H new ATOM 963 N ARG A 646 15.361 -7.784 -4.388 1.00 0.00 N ATOM 964 CA ARG A 646 14.593 -7.018 -5.378 1.00 0.00 C ATOM 965 C ARG A 646 13.265 -7.687 -5.712 1.00 0.00 C ATOM 966 O ARG A 646 12.206 -7.055 -5.628 1.00 0.00 O ATOM 967 CB ARG A 646 15.413 -6.837 -6.659 1.00 0.00 C ATOM 968 CG ARG A 646 16.604 -5.904 -6.509 1.00 0.00 C ATOM 969 CD ARG A 646 16.166 -4.457 -6.335 1.00 0.00 C ATOM 970 NE ARG A 646 15.414 -3.970 -7.491 1.00 0.00 N ATOM 971 CZ ARG A 646 15.172 -2.685 -7.745 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.661 -1.740 -6.953 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.459 -2.347 -8.809 1.00 0.00 N ATOM 0 H ARG A 646 16.305 -8.031 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 646 14.377 -6.045 -4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.769 -7.813 -6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.761 -6.453 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.200 -6.210 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.245 -5.987 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.551 -4.369 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 646 17.043 -3.828 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 646 15.050 -4.661 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.226 -1.995 -6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.472 -0.758 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 646 14.097 -3.070 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.272 -1.364 -9.006 1.00 0.00 H new ATOM 987 N ASP A 647 13.326 -8.968 -6.044 1.00 0.00 N ATOM 988 CA ASP A 647 12.136 -9.717 -6.433 1.00 0.00 C ATOM 989 C ASP A 647 11.155 -9.812 -5.272 1.00 0.00 C ATOM 990 O ASP A 647 9.945 -9.667 -5.452 1.00 0.00 O ATOM 991 CB ASP A 647 12.518 -11.123 -6.907 1.00 0.00 C ATOM 992 CG ASP A 647 11.315 -11.937 -7.342 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.910 -11.831 -8.521 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.775 -12.702 -6.516 1.00 0.00 O ATOM 0 H ASP A 647 14.188 -9.513 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 647 11.656 -9.185 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.219 -11.045 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.035 -11.646 -6.102 1.00 0.00 H new ATOM 999 N GLU A 648 11.693 -10.037 -4.079 1.00 0.00 N ATOM 1000 CA GLU A 648 10.876 -10.203 -2.887 1.00 0.00 C ATOM 1001 C GLU A 648 10.062 -8.947 -2.606 1.00 0.00 C ATOM 1002 O GLU A 648 8.871 -9.029 -2.302 1.00 0.00 O ATOM 1003 CB GLU A 648 11.753 -10.553 -1.681 1.00 0.00 C ATOM 1004 CG GLU A 648 10.967 -11.142 -0.523 1.00 0.00 C ATOM 1005 CD GLU A 648 11.849 -11.886 0.451 1.00 0.00 C ATOM 1006 OE1 GLU A 648 12.628 -12.757 0.005 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.756 -11.630 1.667 1.00 0.00 O ATOM 0 H GLU A 648 12.697 -10.109 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 648 10.182 -11.025 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.519 -11.264 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.269 -9.655 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 648 10.444 -10.342 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.206 -11.819 -0.911 1.00 0.00 H new ATOM 1014 N TYR A 649 10.702 -7.789 -2.737 1.00 0.00 N ATOM 1015 CA TYR A 649 10.043 -6.518 -2.461 1.00 0.00 C ATOM 1016 C TYR A 649 8.801 -6.351 -3.335 1.00 0.00 C ATOM 1017 O TYR A 649 7.713 -6.066 -2.830 1.00 0.00 O ATOM 1018 CB TYR A 649 11.015 -5.353 -2.698 1.00 0.00 C ATOM 1019 CG TYR A 649 10.593 -4.034 -2.072 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.568 -3.965 -1.131 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.242 -2.856 -2.413 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.205 -2.760 -0.556 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.888 -1.649 -1.838 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.870 -1.608 -0.911 1.00 0.00 C ATOM 1025 OH TYR A 649 9.514 -0.408 -0.339 1.00 0.00 O ATOM 0 H TYR A 649 11.675 -7.705 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 649 9.733 -6.514 -1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.994 -5.629 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.132 -5.208 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.048 -4.867 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 649 12.039 -2.882 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.404 -2.723 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.407 -0.743 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 649 9.169 -0.566 0.565 1.00 0.00 H new ATOM 1035 N TYR A 650 8.958 -6.558 -4.639 1.00 0.00 N ATOM 1036 CA TYR A 650 7.871 -6.429 -5.577 1.00 0.00 C ATOM 1037 C TYR A 650 6.800 -7.490 -5.356 1.00 0.00 C ATOM 1038 O TYR A 650 5.608 -7.199 -5.445 1.00 0.00 O ATOM 1039 CB TYR A 650 8.426 -6.509 -6.989 1.00 0.00 C ATOM 1040 CG TYR A 650 9.157 -5.260 -7.421 1.00 0.00 C ATOM 1041 CD1 TYR A 650 8.461 -4.177 -7.938 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.537 -5.163 -7.312 1.00 0.00 C ATOM 1043 CE1 TYR A 650 9.118 -3.031 -8.335 1.00 0.00 C ATOM 1044 CE2 TYR A 650 11.203 -4.020 -7.707 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.489 -2.959 -8.218 1.00 0.00 C ATOM 1046 OH TYR A 650 11.149 -1.821 -8.618 1.00 0.00 O ATOM 0 H TYR A 650 9.847 -6.820 -5.066 1.00 0.00 H new ATOM 0 HA TYR A 650 7.391 -5.463 -5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.105 -7.359 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.607 -6.699 -7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.386 -4.232 -8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 650 11.099 -5.994 -6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 650 8.562 -2.196 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.277 -3.958 -7.616 1.00 0.00 H new ATOM 0 HH TYR A 650 11.959 -1.706 -8.078 1.00 0.00 H new ATOM 1056 N HIS A 651 7.223 -8.714 -5.050 1.00 0.00 N ATOM 1057 CA HIS A 651 6.289 -9.829 -4.931 1.00 0.00 C ATOM 1058 C HIS A 651 5.341 -9.606 -3.760 1.00 0.00 C ATOM 1059 O HIS A 651 4.143 -9.854 -3.866 1.00 0.00 O ATOM 1060 CB HIS A 651 7.037 -11.156 -4.760 1.00 0.00 C ATOM 1061 CG HIS A 651 6.129 -12.349 -4.729 1.00 0.00 C ATOM 1062 ND1 HIS A 651 6.124 -13.270 -3.704 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.183 -12.763 -5.606 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.215 -14.195 -3.950 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.630 -13.912 -5.097 1.00 0.00 N ATOM 0 H HIS A 651 8.199 -8.957 -4.881 1.00 0.00 H new ATOM 0 HA HIS A 651 5.707 -9.881 -5.851 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.749 -11.271 -5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.614 -11.123 -3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.914 -12.279 -6.533 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.989 -15.041 -3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.888 -14.458 -5.535 1.00 0.00 H new ATOM 1074 N LEU A 652 5.891 -9.133 -2.650 1.00 0.00 N ATOM 1075 CA LEU A 652 5.104 -8.876 -1.451 1.00 0.00 C ATOM 1076 C LEU A 652 4.077 -7.778 -1.697 1.00 0.00 C ATOM 1077 O LEU A 652 2.900 -7.925 -1.367 1.00 0.00 O ATOM 1078 CB LEU A 652 6.018 -8.476 -0.295 1.00 0.00 C ATOM 1079 CG LEU A 652 7.045 -9.527 0.123 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.952 -8.970 1.204 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.354 -10.794 0.606 1.00 0.00 C ATOM 0 H LEU A 652 6.884 -8.919 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 652 4.575 -9.793 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.548 -7.565 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.399 -8.234 0.569 1.00 0.00 H new ATOM 0 HG LEU A 652 7.652 -9.783 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.680 -9.728 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.474 -8.092 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.355 -8.690 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.104 -11.529 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.722 -10.560 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.740 -11.202 -0.197 1.00 0.00 H new ATOM 1093 N LEU A 653 4.527 -6.676 -2.280 1.00 0.00 N ATOM 1094 CA LEU A 653 3.644 -5.555 -2.569 1.00 0.00 C ATOM 1095 C LEU A 653 2.573 -5.942 -3.586 1.00 0.00 C ATOM 1096 O LEU A 653 1.396 -5.632 -3.393 1.00 0.00 O ATOM 1097 CB LEU A 653 4.450 -4.354 -3.061 1.00 0.00 C ATOM 1098 CG LEU A 653 5.253 -3.634 -1.979 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.464 -2.961 -2.587 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.392 -2.599 -1.270 1.00 0.00 C ATOM 0 H LEU A 653 5.497 -6.534 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 653 3.138 -5.277 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 653 5.135 -4.689 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.767 -3.640 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 653 5.583 -4.374 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 653 7.028 -2.451 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 653 7.097 -3.711 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 653 6.141 -2.235 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.983 -2.098 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 653 4.037 -1.864 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.538 -3.093 -0.805 1.00 0.00 H new ATOM 1112 N ALA A 654 2.980 -6.623 -4.655 1.00 0.00 N ATOM 1113 CA ALA A 654 2.045 -7.084 -5.681 1.00 0.00 C ATOM 1114 C ALA A 654 1.016 -8.058 -5.103 1.00 0.00 C ATOM 1115 O ALA A 654 -0.183 -7.930 -5.362 1.00 0.00 O ATOM 1116 CB ALA A 654 2.801 -7.735 -6.830 1.00 0.00 C ATOM 0 H ALA A 654 3.954 -6.869 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 654 1.507 -6.214 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 654 2.093 -8.073 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.485 -7.011 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.367 -8.588 -6.456 1.00 0.00 H new ATOM 1122 N GLU A 655 1.496 -9.019 -4.314 1.00 0.00 N ATOM 1123 CA GLU A 655 0.615 -9.998 -3.654 1.00 0.00 C ATOM 1124 C GLU A 655 -0.409 -9.262 -2.792 1.00 0.00 C ATOM 1125 O GLU A 655 -1.603 -9.567 -2.810 1.00 0.00 O ATOM 1126 CB GLU A 655 1.423 -10.994 -2.785 1.00 0.00 C ATOM 1127 CG GLU A 655 0.572 -11.842 -1.857 1.00 0.00 C ATOM 1128 CD GLU A 655 -0.131 -12.959 -2.591 1.00 0.00 C ATOM 1129 OE1 GLU A 655 -1.199 -12.711 -3.180 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.393 -14.093 -2.592 1.00 0.00 O ATOM 0 H GLU A 655 2.488 -9.145 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 655 0.103 -10.572 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.992 -11.653 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 655 2.145 -10.436 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 655 1.201 -12.264 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.168 -11.210 -1.366 1.00 0.00 H new ATOM 1137 N LYS A 656 0.081 -8.266 -2.066 1.00 0.00 N ATOM 1138 CA LYS A 656 -0.746 -7.431 -1.208 1.00 0.00 C ATOM 1139 C LYS A 656 -1.841 -6.732 -2.020 1.00 0.00 C ATOM 1140 O LYS A 656 -2.984 -6.632 -1.577 1.00 0.00 O ATOM 1141 CB LYS A 656 0.170 -6.416 -0.500 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.516 -5.407 0.421 1.00 0.00 C ATOM 1143 CD LYS A 656 -1.155 -4.241 -0.337 1.00 0.00 C ATOM 1144 CE LYS A 656 -0.231 -3.662 -1.400 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.108 -3.309 -0.858 1.00 0.00 N ATOM 0 H LYS A 656 1.069 -8.014 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.253 -8.043 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.904 -6.969 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 656 0.721 -5.864 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -1.283 -5.918 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.214 -5.016 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -2.078 -4.580 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -1.427 -3.457 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 656 -0.114 -4.384 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -0.691 -2.773 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 1.515 -2.532 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 1.013 -3.010 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 1.734 -4.138 -0.911 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.482 -6.249 -3.205 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.429 -5.541 -4.059 1.00 0.00 C ATOM 1161 C ILE A 657 -3.557 -6.469 -4.507 1.00 0.00 C ATOM 1162 O ILE A 657 -4.729 -6.094 -4.469 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.736 -4.915 -5.298 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.716 -3.863 -4.850 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.765 -4.290 -6.232 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.013 -3.186 -5.991 1.00 0.00 C ATOM 0 H ILE A 657 -0.544 -6.335 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 657 -2.849 -4.730 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.217 -5.704 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.228 -3.104 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 657 0.016 -4.337 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.258 -3.857 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.463 -5.056 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.311 -3.509 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.716 -2.456 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.556 -3.933 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.707 -2.681 -6.634 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.203 -7.687 -4.907 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.206 -8.667 -5.331 1.00 0.00 C ATOM 1180 C TYR A 658 -5.127 -9.014 -4.160 1.00 0.00 C ATOM 1181 O TYR A 658 -6.339 -9.167 -4.338 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.555 -9.937 -5.911 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.504 -10.818 -6.716 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.609 -10.282 -7.380 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.290 -12.191 -6.814 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.465 -11.087 -8.104 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.144 -12.996 -7.541 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.229 -12.440 -8.181 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.079 -13.243 -8.905 1.00 0.00 O ATOM 0 H TYR A 658 -2.240 -8.020 -4.948 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.799 -8.218 -6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.721 -9.645 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.140 -10.524 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.797 -9.220 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -3.442 -12.633 -6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -7.317 -10.656 -8.608 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -4.962 -14.058 -7.608 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.770 -14.172 -8.859 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.551 -9.121 -2.959 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.331 -9.401 -1.759 1.00 0.00 C ATOM 1201 C LYS A 659 -6.414 -8.346 -1.561 1.00 0.00 C ATOM 1202 O LYS A 659 -7.566 -8.677 -1.277 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.414 -9.461 -0.534 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.520 -10.690 -0.511 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.316 -11.943 -0.187 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.508 -13.206 -0.426 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.310 -13.474 -1.874 1.00 0.00 N ATOM 0 H LYS A 659 -3.549 -9.018 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 659 -5.816 -10.369 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.791 -8.567 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.024 -9.447 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.032 -10.806 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -2.731 -10.555 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -4.638 -11.910 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.218 -11.968 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -2.538 -13.113 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -4.016 -14.054 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.134 -14.489 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -4.162 -13.192 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -2.494 -12.929 -2.220 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.039 -7.082 -1.727 1.00 0.00 N ATOM 1222 CA ILE A 660 -6.990 -5.979 -1.620 1.00 0.00 C ATOM 1223 C ILE A 660 -8.069 -6.072 -2.693 1.00 0.00 C ATOM 1224 O ILE A 660 -9.236 -5.774 -2.430 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.295 -4.587 -1.643 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.596 -3.855 -0.341 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -6.738 -3.724 -2.829 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.916 -2.513 -0.237 1.00 0.00 C ATOM 0 H ILE A 660 -5.083 -6.795 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.470 -6.075 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.224 -4.758 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.673 -3.716 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.285 -4.478 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.221 -2.765 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.494 -4.234 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -7.814 -3.559 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.174 -2.047 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.836 -2.647 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.246 -1.873 -1.055 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.687 -6.506 -3.894 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.630 -6.539 -5.011 1.00 0.00 C ATOM 1242 C GLN A 661 -9.730 -7.539 -4.708 1.00 0.00 C ATOM 1243 O GLN A 661 -10.908 -7.277 -4.939 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.946 -6.890 -6.348 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.945 -5.841 -6.833 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.385 -6.156 -8.207 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -6.258 -7.320 -8.593 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -6.043 -5.120 -8.956 1.00 0.00 N ATOM 0 H GLN A 661 -6.747 -6.834 -4.116 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.050 -5.540 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.431 -7.845 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.712 -7.025 -7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.431 -4.866 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.125 -5.770 -6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.164 -4.172 -8.600 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.659 -5.270 -9.889 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.329 -8.675 -4.153 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.264 -9.720 -3.782 1.00 0.00 C ATOM 1259 C LYS A 662 -11.172 -9.266 -2.647 1.00 0.00 C ATOM 1260 O LYS A 662 -12.368 -9.548 -2.656 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.517 -10.996 -3.400 1.00 0.00 C ATOM 1262 CG LYS A 662 -8.967 -11.754 -4.598 1.00 0.00 C ATOM 1263 CD LYS A 662 -10.094 -12.271 -5.480 1.00 0.00 C ATOM 1264 CE LYS A 662 -9.569 -13.002 -6.702 1.00 0.00 C ATOM 1265 NZ LYS A 662 -10.676 -13.538 -7.538 1.00 0.00 N ATOM 0 H LYS A 662 -8.354 -8.894 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.892 -9.934 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.695 -10.741 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -10.189 -11.649 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -8.316 -11.100 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -8.356 -12.589 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -10.729 -12.942 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -10.718 -11.436 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -8.958 -12.324 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -8.922 -13.820 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -10.280 -14.031 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -11.244 -14.204 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -11.279 -12.754 -7.859 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.601 -8.554 -1.676 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.367 -8.053 -0.540 1.00 0.00 C ATOM 1281 C GLU A 663 -12.498 -7.150 -1.012 1.00 0.00 C ATOM 1282 O GLU A 663 -13.649 -7.314 -0.602 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.469 -7.280 0.429 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.481 -8.148 1.190 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.166 -9.207 2.027 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -10.935 -8.842 2.943 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -9.946 -10.409 1.773 1.00 0.00 O ATOM 0 H GLU A 663 -9.610 -8.312 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 663 -11.788 -8.914 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -9.916 -6.524 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.097 -6.751 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -8.805 -8.629 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -8.870 -7.517 1.836 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.158 -6.201 -1.879 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.136 -5.265 -2.415 1.00 0.00 C ATOM 1296 C LEU A 664 -14.252 -6.004 -3.146 1.00 0.00 C ATOM 1297 O LEU A 664 -15.430 -5.750 -2.898 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.467 -4.257 -3.358 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.369 -3.396 -2.727 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.722 -2.508 -3.777 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.934 -2.551 -1.595 1.00 0.00 C ATOM 0 H LEU A 664 -11.209 -6.061 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.571 -4.722 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.039 -4.801 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.235 -3.598 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.608 -4.059 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.944 -1.903 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.281 -3.129 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.476 -1.855 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.138 -1.947 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.715 -1.897 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.354 -3.203 -0.829 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.880 -6.933 -4.023 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.858 -7.678 -4.808 1.00 0.00 C ATOM 1315 C GLU A 665 -15.729 -8.544 -3.905 1.00 0.00 C ATOM 1316 O GLU A 665 -16.946 -8.603 -4.075 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.156 -8.544 -5.855 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.286 -7.744 -6.810 1.00 0.00 C ATOM 1319 CD GLU A 665 -12.609 -8.606 -7.855 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -11.811 -9.491 -7.484 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -12.858 -8.389 -9.059 1.00 0.00 O ATOM 0 H GLU A 665 -12.909 -7.187 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.500 -6.961 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.540 -9.287 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -14.906 -9.089 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -13.898 -6.992 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -12.526 -7.209 -6.240 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.096 -9.195 -2.935 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.790 -10.081 -2.008 1.00 0.00 C ATOM 1330 C GLU A 666 -16.868 -9.332 -1.231 1.00 0.00 C ATOM 1331 O GLU A 666 -18.023 -9.759 -1.181 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.776 -10.686 -1.028 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.369 -11.671 -0.029 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.903 -12.927 -0.683 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -15.453 -13.266 -1.796 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -16.779 -13.588 -0.085 1.00 0.00 O ATOM 0 H GLU A 666 -14.092 -9.124 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.273 -10.871 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -13.997 -11.192 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.295 -9.877 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.606 -11.944 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.175 -11.183 0.520 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.488 -8.210 -0.633 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.400 -7.456 0.212 1.00 0.00 C ATOM 1345 C LYS A 667 -18.540 -6.821 -0.588 1.00 0.00 C ATOM 1346 O LYS A 667 -19.701 -6.912 -0.192 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.644 -6.410 1.038 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.034 -5.272 0.237 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.079 -4.428 1.075 1.00 0.00 C ATOM 1350 CE LYS A 667 -15.728 -3.879 2.344 1.00 0.00 C ATOM 1351 NZ LYS A 667 -15.707 -4.858 3.468 1.00 0.00 N ATOM 0 H LYS A 667 -15.556 -7.804 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 667 -17.859 -8.164 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -17.328 -5.989 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -15.849 -6.911 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -15.499 -5.679 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -16.829 -4.638 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -14.213 -5.031 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -14.712 -3.597 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -15.209 -2.970 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -16.760 -3.600 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -15.495 -4.362 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -16.635 -5.321 3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -14.976 -5.576 3.289 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.220 -6.205 -1.727 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.218 -5.448 -2.467 1.00 0.00 C ATOM 1367 C ARG A 668 -20.168 -6.355 -3.220 1.00 0.00 C ATOM 1368 O ARG A 668 -21.264 -5.956 -3.610 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.567 -4.437 -3.417 1.00 0.00 C ATOM 1370 CG ARG A 668 -17.814 -5.061 -4.582 1.00 0.00 C ATOM 1371 CD ARG A 668 -17.072 -4.003 -5.381 1.00 0.00 C ATOM 1372 NE ARG A 668 -16.291 -4.573 -6.478 1.00 0.00 N ATOM 1373 CZ ARG A 668 -15.224 -3.980 -7.013 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -14.804 -2.810 -6.546 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -14.578 -4.556 -8.018 1.00 0.00 N ATOM 0 H ARG A 668 -17.291 -6.217 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 668 -19.801 -4.893 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -19.340 -3.778 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -17.878 -3.814 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -17.107 -5.801 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -18.513 -5.588 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -17.789 -3.287 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -16.408 -3.450 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 668 -16.579 -5.476 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -15.298 -2.362 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -13.987 -2.360 -6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -14.898 -5.454 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -13.762 -4.101 -8.427 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.742 -7.577 -3.392 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.542 -8.590 -4.064 1.00 0.00 C ATOM 1391 C ARG A 669 -21.782 -8.921 -3.240 1.00 0.00 C ATOM 1392 O ARG A 669 -22.831 -9.267 -3.783 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.715 -9.852 -4.279 1.00 0.00 C ATOM 1394 CG ARG A 669 -20.351 -10.850 -5.230 1.00 0.00 C ATOM 1395 CD ARG A 669 -19.619 -12.178 -5.190 1.00 0.00 C ATOM 1396 NE ARG A 669 -19.705 -12.792 -3.867 1.00 0.00 N ATOM 1397 CZ ARG A 669 -18.653 -13.056 -3.094 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -17.422 -12.795 -3.519 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -18.833 -13.589 -1.891 1.00 0.00 N ATOM 0 H ARG A 669 -18.831 -7.908 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 669 -20.856 -8.198 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -18.735 -9.571 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.552 -10.336 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -21.397 -10.999 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -20.336 -10.452 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -20.043 -12.852 -5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -18.573 -12.027 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 669 -20.630 -13.034 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -17.277 -12.389 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -16.622 -13.000 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -19.776 -13.795 -1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -18.029 -13.792 -1.298 1.00 0.00 H new ATOM 1413 N SER A 670 -21.649 -8.812 -1.928 1.00 0.00 N ATOM 1414 CA SER A 670 -22.755 -9.063 -1.020 1.00 0.00 C ATOM 1415 C SER A 670 -23.401 -7.742 -0.605 1.00 0.00 C ATOM 1416 O SER A 670 -24.412 -7.722 0.097 1.00 0.00 O ATOM 1417 CB SER A 670 -22.256 -9.827 0.213 1.00 0.00 C ATOM 1418 OG SER A 670 -23.320 -10.177 1.086 1.00 0.00 O ATOM 0 H SER A 670 -20.779 -8.549 -1.466 1.00 0.00 H new ATOM 0 HA SER A 670 -23.504 -9.671 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 670 -21.736 -10.730 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 670 -21.532 -9.215 0.751 1.00 0.00 H new ATOM 0 HG SER A 670 -24.017 -9.489 1.045 1.00 0.00 H new ATOM 1424 N ARG A 671 -22.840 -6.641 -1.078 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.306 -5.327 -0.691 1.00 0.00 C ATOM 1426 C ARG A 671 -24.293 -4.796 -1.723 1.00 0.00 C ATOM 1427 O ARG A 671 -24.033 -3.807 -2.404 1.00 0.00 O ATOM 1428 CB ARG A 671 -22.121 -4.365 -0.513 1.00 0.00 C ATOM 1429 CG ARG A 671 -22.489 -2.964 -0.020 1.00 0.00 C ATOM 1430 CD ARG A 671 -23.320 -2.990 1.258 1.00 0.00 C ATOM 1431 NE ARG A 671 -24.737 -3.251 0.992 1.00 0.00 N ATOM 1432 CZ ARG A 671 -25.627 -3.566 1.931 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -25.254 -3.645 3.202 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -26.892 -3.796 1.597 1.00 0.00 N ATOM 0 H ARG A 671 -22.058 -6.636 -1.733 1.00 0.00 H new ATOM 0 HA ARG A 671 -23.821 -5.404 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -21.417 -4.808 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -21.602 -4.273 -1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -21.577 -2.394 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -23.045 -2.443 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -22.930 -3.757 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -23.219 -2.035 1.775 1.00 0.00 H new ATOM 0 HE ARG A 671 -25.062 -3.187 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -24.284 -3.464 3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -25.937 -3.886 3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -27.182 -3.731 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -27.574 -4.037 2.316 1.00 0.00 H new ATOM 1448 N LEU A 672 -25.419 -5.478 -1.844 1.00 0.00 N ATOM 1449 CA LEU A 672 -26.487 -5.032 -2.722 1.00 0.00 C ATOM 1450 C LEU A 672 -27.227 -3.879 -2.063 1.00 0.00 C ATOM 1451 O LEU A 672 -27.790 -4.087 -0.968 1.00 0.00 O ATOM 1452 CB LEU A 672 -27.470 -6.177 -3.038 1.00 0.00 C ATOM 1453 CG LEU A 672 -26.915 -7.351 -3.865 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -26.104 -6.849 -5.050 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -26.088 -8.300 -3.004 1.00 0.00 C ATOM 1456 OXT LEU A 672 -27.220 -2.765 -2.628 1.00 0.00 O ATOM 0 H LEU A 672 -25.617 -6.345 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 672 -26.047 -4.703 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -27.847 -6.572 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -28.323 -5.757 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 672 -27.767 -7.912 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -25.724 -7.699 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -26.738 -6.239 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -25.268 -6.249 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -25.712 -9.117 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -25.248 -7.758 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -26.711 -8.705 -2.207 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 2.022 -11.780 10.767 1.00 0.00 N ATOM 1470 CA ASP B 840 0.796 -11.162 10.262 1.00 0.00 C ATOM 1471 C ASP B 840 0.593 -9.768 10.833 1.00 0.00 C ATOM 1472 O ASP B 840 -0.346 -9.524 11.591 1.00 0.00 O ATOM 1473 CB ASP B 840 -0.425 -12.036 10.567 1.00 0.00 C ATOM 1474 CG ASP B 840 -0.689 -13.060 9.488 1.00 0.00 C ATOM 1475 OD1 ASP B 840 0.008 -14.095 9.460 1.00 0.00 O ATOM 1476 OD2 ASP B 840 -1.594 -12.833 8.658 1.00 0.00 O ATOM 0 HA ASP B 840 0.905 -11.073 9.181 1.00 0.00 H new ATOM 0 HB2 ASP B 840 -0.274 -12.546 11.518 1.00 0.00 H new ATOM 0 HB3 ASP B 840 -1.303 -11.400 10.682 1.00 0.00 H new ATOM 1481 N ALA B 841 1.460 -8.846 10.444 1.00 0.00 N ATOM 1482 CA ALA B 841 1.340 -7.452 10.858 1.00 0.00 C ATOM 1483 C ALA B 841 0.405 -6.701 9.918 1.00 0.00 C ATOM 1484 O ALA B 841 0.563 -5.503 9.678 1.00 0.00 O ATOM 1485 CB ALA B 841 2.705 -6.788 10.892 1.00 0.00 C ATOM 0 H ALA B 841 2.259 -9.037 9.839 1.00 0.00 H new ATOM 0 HA ALA B 841 0.919 -7.423 11.863 1.00 0.00 H new ATOM 0 HB1 ALA B 841 2.596 -5.749 11.203 1.00 0.00 H new ATOM 0 HB2 ALA B 841 3.347 -7.313 11.599 1.00 0.00 H new ATOM 0 HB3 ALA B 841 3.152 -6.825 9.899 1.00 0.00 H new ATOM 1491 N GLY B 842 -0.571 -7.422 9.394 1.00 0.00 N ATOM 1492 CA GLY B 842 -1.497 -6.860 8.445 1.00 0.00 C ATOM 1493 C GLY B 842 -1.004 -6.990 7.032 1.00 0.00 C ATOM 1494 O GLY B 842 -0.763 -5.997 6.345 1.00 0.00 O ATOM 0 H GLY B 842 -0.737 -8.404 9.616 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.461 -7.360 8.540 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -1.659 -5.807 8.677 1.00 0.00 H new ATOM 1498 N ASN B 843 -0.842 -8.228 6.616 1.00 0.00 N ATOM 1499 CA ASN B 843 -0.488 -8.535 5.238 1.00 0.00 C ATOM 1500 C ASN B 843 -1.723 -8.352 4.376 1.00 0.00 C ATOM 1501 O ASN B 843 -1.682 -7.728 3.315 1.00 0.00 O ATOM 1502 CB ASN B 843 0.038 -9.970 5.108 1.00 0.00 C ATOM 1503 CG ASN B 843 1.184 -10.271 6.066 1.00 0.00 C ATOM 1504 OD1 ASN B 843 0.975 -10.879 7.117 1.00 0.00 O ATOM 1505 ND2 ASN B 843 2.393 -9.832 5.738 1.00 0.00 N ATOM 0 H ASN B 843 -0.950 -9.047 7.214 1.00 0.00 H new ATOM 0 HA ASN B 843 0.306 -7.864 4.911 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -0.778 -10.669 5.294 1.00 0.00 H new ATOM 0 HB3 ASN B 843 0.373 -10.137 4.084 1.00 0.00 H new ATOM 0 HD21 ASN B 843 3.182 -9.995 6.364 1.00 0.00 H new ATOM 0 HD22 ASN B 843 2.533 -9.332 4.860 1.00 0.00 H new ATOM 1512 N ILE B 844 -2.825 -8.909 4.855 1.00 0.00 N ATOM 1513 CA ILE B 844 -4.136 -8.614 4.296 1.00 0.00 C ATOM 1514 C ILE B 844 -4.650 -7.352 4.975 1.00 0.00 C ATOM 1515 O ILE B 844 -4.578 -7.237 6.202 1.00 0.00 O ATOM 1516 CB ILE B 844 -5.170 -9.758 4.502 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -4.551 -11.122 4.163 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -6.399 -9.505 3.632 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -5.518 -12.287 4.296 1.00 0.00 C ATOM 0 H ILE B 844 -2.837 -9.570 5.632 1.00 0.00 H new ATOM 0 HA ILE B 844 -4.022 -8.492 3.219 1.00 0.00 H new ATOM 0 HB ILE B 844 -5.468 -9.773 5.550 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -4.170 -11.094 3.142 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -3.697 -11.295 4.817 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -7.121 -10.309 3.779 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -6.853 -8.554 3.911 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -6.102 -9.472 2.584 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -5.007 -13.215 4.040 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -5.880 -12.344 5.322 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -6.361 -12.139 3.621 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.150 -6.404 4.198 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.529 -5.116 4.745 1.00 0.00 C ATOM 1533 C LEU B 845 -6.893 -5.198 5.420 1.00 0.00 C ATOM 1534 O LEU B 845 -7.827 -5.804 4.886 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.510 -4.035 3.658 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.118 -3.729 3.085 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.781 -4.658 1.925 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -4.015 -2.273 2.661 1.00 0.00 C ATOM 0 H LEU B 845 -5.301 -6.503 3.194 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.797 -4.837 5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.164 -4.346 2.843 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.929 -3.117 4.070 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.387 -3.905 3.875 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.790 -4.416 1.541 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -3.794 -5.692 2.271 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.518 -4.532 1.132 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -3.020 -2.081 2.259 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.763 -2.063 1.896 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -4.188 -1.630 3.524 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.996 -4.600 6.625 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.195 -4.660 7.472 1.00 0.00 C ATOM 1552 C PRO B 846 -9.496 -4.387 6.727 1.00 0.00 C ATOM 1553 O PRO B 846 -9.598 -3.455 5.921 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.947 -3.561 8.503 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.469 -3.490 8.628 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.919 -3.819 7.267 1.00 0.00 C ATOM 0 HA PRO B 846 -8.328 -5.659 7.887 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.363 -2.609 8.175 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.414 -3.801 9.458 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.152 -2.497 8.947 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.107 -4.196 9.376 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.689 -2.916 6.701 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.996 -4.395 7.338 1.00 0.00 H new ATOM 1564 N SER B 847 -10.493 -5.210 7.044 1.00 0.00 N ATOM 1565 CA SER B 847 -11.831 -5.097 6.485 1.00 0.00 C ATOM 1566 C SER B 847 -12.400 -3.699 6.722 1.00 0.00 C ATOM 1567 O SER B 847 -13.086 -3.153 5.864 1.00 0.00 O ATOM 1568 CB SER B 847 -12.739 -6.155 7.112 1.00 0.00 C ATOM 1569 OG SER B 847 -12.178 -7.450 6.961 1.00 0.00 O ATOM 0 H SER B 847 -10.390 -5.981 7.704 1.00 0.00 H new ATOM 0 HA SER B 847 -11.778 -5.262 5.409 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.883 -5.937 8.170 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.722 -6.122 6.643 1.00 0.00 H new ATOM 0 HG SER B 847 -12.772 -8.114 7.370 1.00 0.00 H new ATOM 1575 N ASP B 848 -12.111 -3.139 7.895 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.584 -1.798 8.258 1.00 0.00 C ATOM 1577 C ASP B 848 -12.175 -0.750 7.222 1.00 0.00 C ATOM 1578 O ASP B 848 -13.004 0.046 6.784 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.052 -1.374 9.629 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.569 -0.010 10.036 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.737 0.083 10.468 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.819 0.979 9.911 1.00 0.00 O ATOM 0 H ASP B 848 -11.549 -3.593 8.615 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.672 -1.854 8.292 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.345 -2.111 10.376 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.962 -1.358 9.607 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.900 -0.749 6.832 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.406 0.207 5.839 1.00 0.00 C ATOM 1589 C ILE B 849 -11.085 -0.041 4.494 1.00 0.00 C ATOM 1590 O ILE B 849 -11.427 0.896 3.771 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.864 0.155 5.670 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.168 0.230 7.039 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.389 1.300 4.774 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.455 1.503 7.817 1.00 0.00 C ATOM 0 H ILE B 849 -10.194 -1.395 7.185 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.654 1.203 6.205 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.601 -0.792 5.199 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.478 -0.626 7.638 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.092 0.143 6.892 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.306 1.251 4.664 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.857 1.213 3.794 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.665 2.253 5.225 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.926 1.474 8.770 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.119 2.365 7.241 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.527 1.584 7.999 1.00 0.00 H new ATOM 1606 N MET B 850 -11.278 -1.315 4.172 1.00 0.00 N ATOM 1607 CA MET B 850 -11.982 -1.705 2.951 1.00 0.00 C ATOM 1608 C MET B 850 -13.423 -1.194 2.982 1.00 0.00 C ATOM 1609 O MET B 850 -13.944 -0.708 1.983 1.00 0.00 O ATOM 1610 CB MET B 850 -11.970 -3.232 2.789 1.00 0.00 C ATOM 1611 CG MET B 850 -10.581 -3.849 2.672 1.00 0.00 C ATOM 1612 SD MET B 850 -9.661 -3.279 1.227 1.00 0.00 S ATOM 1613 CE MET B 850 -8.844 -1.816 1.870 1.00 0.00 C ATOM 0 H MET B 850 -10.957 -2.099 4.740 1.00 0.00 H new ATOM 0 HA MET B 850 -11.468 -1.258 2.100 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.480 -3.678 3.643 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.545 -3.494 1.901 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.011 -3.615 3.571 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.676 -4.934 2.628 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.967 -0.992 1.167 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.286 -1.544 2.829 1.00 0.00 H new ATOM 0 HE3 MET B 850 -7.782 -2.022 2.005 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.066 -1.323 4.134 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.399 -0.760 4.341 1.00 0.00 C ATOM 1625 C ASP B 851 -15.373 0.761 4.238 1.00 0.00 C ATOM 1626 O ASP B 851 -16.306 1.366 3.720 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.979 -1.184 5.703 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.647 -2.543 5.656 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -15.956 -3.565 5.845 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -17.873 -2.600 5.428 1.00 0.00 O ATOM 0 H ASP B 851 -13.687 -1.814 4.944 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.043 -1.153 3.554 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -15.180 -1.202 6.444 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.703 -0.439 6.033 1.00 0.00 H new ATOM 1635 N PHE B 852 -14.309 1.367 4.754 1.00 0.00 N ATOM 1636 CA PHE B 852 -14.172 2.820 4.788 1.00 0.00 C ATOM 1637 C PHE B 852 -14.262 3.429 3.384 1.00 0.00 C ATOM 1638 O PHE B 852 -14.987 4.399 3.177 1.00 0.00 O ATOM 1639 CB PHE B 852 -12.845 3.197 5.457 1.00 0.00 C ATOM 1640 CG PHE B 852 -12.845 4.552 6.109 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -13.883 4.932 6.946 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -11.798 5.439 5.905 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -13.879 6.167 7.564 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -11.791 6.674 6.519 1.00 0.00 C ATOM 1645 CZ PHE B 852 -12.832 7.039 7.349 1.00 0.00 C ATOM 0 H PHE B 852 -13.518 0.867 5.160 1.00 0.00 H new ATOM 0 HA PHE B 852 -14.998 3.228 5.370 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -12.604 2.445 6.208 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -12.053 3.166 4.709 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -14.705 4.253 7.117 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -10.979 5.159 5.258 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -14.694 6.449 8.214 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -10.971 7.356 6.350 1.00 0.00 H new ATOM 0 HZ PHE B 852 -12.827 8.006 7.829 1.00 0.00 H new ATOM 1655 N VAL B 853 -13.529 2.864 2.423 1.00 0.00 N ATOM 1656 CA VAL B 853 -13.608 3.345 1.039 1.00 0.00 C ATOM 1657 C VAL B 853 -14.998 3.091 0.446 1.00 0.00 C ATOM 1658 O VAL B 853 -15.552 3.945 -0.247 1.00 0.00 O ATOM 1659 CB VAL B 853 -12.508 2.738 0.124 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -12.431 1.229 0.258 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -12.751 3.121 -1.330 1.00 0.00 C ATOM 0 H VAL B 853 -12.885 2.087 2.571 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.431 4.420 1.078 1.00 0.00 H new ATOM 0 HB VAL B 853 -11.553 3.151 0.449 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -11.650 0.845 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -12.199 0.967 1.290 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -13.388 0.790 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -11.971 2.687 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -13.723 2.744 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -12.733 4.206 -1.428 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.560 1.922 0.741 1.00 0.00 N ATOM 1672 CA LEU B 854 -16.926 1.584 0.334 1.00 0.00 C ATOM 1673 C LEU B 854 -17.918 2.612 0.879 1.00 0.00 C ATOM 1674 O LEU B 854 -18.922 2.917 0.236 1.00 0.00 O ATOM 1675 CB LEU B 854 -17.314 0.170 0.801 1.00 0.00 C ATOM 1676 CG LEU B 854 -17.011 -0.988 -0.174 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -18.013 -1.027 -1.325 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -15.593 -0.890 -0.721 1.00 0.00 C ATOM 0 H LEU B 854 -15.088 1.185 1.265 1.00 0.00 H new ATOM 0 HA LEU B 854 -16.963 1.602 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -16.799 -0.032 1.740 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -18.383 0.164 1.016 1.00 0.00 H new ATOM 0 HG LEU B 854 -17.103 -1.915 0.392 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -17.769 -1.854 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -19.018 -1.165 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.968 -0.089 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -15.409 -1.719 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -15.473 0.053 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.881 -0.934 0.103 1.00 0.00 H new ATOM 1690 N LYS B 855 -17.647 3.107 2.089 1.00 0.00 N ATOM 1691 CA LYS B 855 -18.519 4.094 2.741 1.00 0.00 C ATOM 1692 C LYS B 855 -18.564 5.395 1.930 1.00 0.00 C ATOM 1693 O LYS B 855 -19.513 6.174 2.040 1.00 0.00 O ATOM 1694 CB LYS B 855 -18.029 4.396 4.174 1.00 0.00 C ATOM 1695 CG LYS B 855 -19.018 5.190 5.037 1.00 0.00 C ATOM 1696 CD LYS B 855 -20.275 4.380 5.308 1.00 0.00 C ATOM 1697 CE LYS B 855 -21.194 5.089 6.287 1.00 0.00 C ATOM 1698 NZ LYS B 855 -22.360 4.246 6.660 1.00 0.00 N ATOM 0 H LYS B 855 -16.830 2.842 2.640 1.00 0.00 H new ATOM 0 HA LYS B 855 -19.522 3.670 2.792 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -17.808 3.453 4.674 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -17.093 4.952 4.114 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -18.546 5.462 5.981 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -19.282 6.120 4.533 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -20.805 4.205 4.372 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -20.001 3.403 5.707 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -20.635 5.353 7.184 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -21.546 6.021 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -22.964 4.765 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -22.908 4.015 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -22.025 3.368 7.105 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.541 5.610 1.111 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.437 6.820 0.300 1.00 0.00 C ATOM 1714 C ASN B 856 -18.041 6.610 -1.079 1.00 0.00 C ATOM 1715 O ASN B 856 -18.325 5.485 -1.488 1.00 0.00 O ATOM 1716 CB ASN B 856 -15.973 7.242 0.131 1.00 0.00 C ATOM 1717 CG ASN B 856 -15.441 8.078 1.278 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -15.834 7.914 2.432 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -14.538 8.995 0.959 1.00 0.00 N ATOM 0 H ASN B 856 -16.766 4.958 0.990 1.00 0.00 H new ATOM 0 HA ASN B 856 -17.987 7.602 0.823 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -15.357 6.349 0.028 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.872 7.807 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -14.143 9.596 1.683 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -14.238 9.100 -0.010 1.00 0.00 H new ATOM 1726 N THR B 857 -18.241 7.705 -1.788 1.00 0.00 N ATOM 1727 CA THR B 857 -18.681 7.657 -3.167 1.00 0.00 C ATOM 1728 C THR B 857 -17.831 8.608 -4.008 1.00 0.00 C ATOM 1729 O THR B 857 -18.083 9.814 -4.038 1.00 0.00 O ATOM 1730 CB THR B 857 -20.171 8.027 -3.299 1.00 0.00 C ATOM 1731 OG1 THR B 857 -20.951 7.233 -2.394 1.00 0.00 O ATOM 1732 CG2 THR B 857 -20.662 7.805 -4.724 1.00 0.00 C ATOM 0 H THR B 857 -18.103 8.648 -1.425 1.00 0.00 H new ATOM 0 HA THR B 857 -18.559 6.636 -3.527 1.00 0.00 H new ATOM 0 HB THR B 857 -20.284 9.083 -3.053 1.00 0.00 H new ATOM 0 HG1 THR B 857 -21.897 7.473 -2.481 1.00 0.00 H new ATOM 0 HG21 THR B 857 -21.716 8.073 -4.791 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.085 8.427 -5.409 1.00 0.00 H new ATOM 0 HG23 THR B 857 -20.537 6.756 -4.993 1.00 0.00 H new ATOM 1740 N PRO B 858 -16.783 8.075 -4.656 1.00 0.00 N ATOM 1741 CA PRO B 858 -15.868 8.863 -5.492 1.00 0.00 C ATOM 1742 C PRO B 858 -16.571 9.500 -6.688 1.00 0.00 C ATOM 1743 O PRO B 858 -16.792 10.731 -6.667 1.00 0.00 O ATOM 1744 CB PRO B 858 -14.833 7.838 -5.972 1.00 0.00 C ATOM 1745 CG PRO B 858 -14.961 6.683 -5.040 1.00 0.00 C ATOM 1746 CD PRO B 858 -16.400 6.656 -4.619 1.00 0.00 C ATOM 1747 OXT PRO B 858 -16.896 8.771 -7.647 1.00 0.00 O ATOM 0 HA PRO B 858 -15.436 9.695 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -15.027 7.536 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -13.826 8.254 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -14.680 5.751 -5.531 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -14.304 6.801 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -17.007 6.056 -5.297 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -16.521 6.231 -3.622 1.00 0.00 H new TER 1755 PRO B 858