USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 550 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 551 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 547 SER OG : rot -40:sc= 0.502 USER MOD Set 2.2: B 548 GLN : amide:sc= 0.491 K(o=0.99,f=0.36) USER MOD Set 3.1: A 601 SER OG : rot -20:sc= 1.08 USER MOD Set 3.2: A 602 HIS : no HD1:sc= -0.0751 X(o=1,f=1) USER MOD Single : A 592 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -140:sc= -0.197 USER MOD Single : A 597 GLN : amide:sc= -1.14! K(o=-1.1!,f=0) USER MOD Single : A 605 HIS : no HD1:sc=-0.00206 X(o=-0.0021,f=-0.0021) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -0.987 K(o=-0.99,f=-4.2!) USER MOD Single : A 614 THR OG1 : rot -160:sc= 0 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -142:sc= -0.236 (180deg=-1.85!) USER MOD Single : A 627 ASN : amide:sc=-0.00414 K(o=-0.0041,f=-1.1) USER MOD Single : A 631 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl -168:sc= -2.38! (180deg=-3.4!) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot -97:sc= 0.443 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot -28:sc= 1.16 USER MOD Single : A 650 TYR OH : rot 30:sc= -1.42 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ -121:sc= -0.0289 (180deg=-2.66!) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.79) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 SER OG : rot -35:sc= 0.0477 USER MOD Single : B 540 MET CE :methyl 175:sc= 0 (180deg=-0.0308) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.061 -5.122 3.768 1.00 25.00 N ATOM 73 CA GLY A 590 23.553 -6.248 4.555 1.00 25.00 C ATOM 74 C GLY A 590 22.075 -6.569 4.349 1.00 25.00 C ATOM 75 O GLY A 590 21.637 -7.669 4.696 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.138 -7.135 4.311 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.719 -6.037 5.611 1.00 25.00 H new ATOM 79 N TRP A 591 21.310 -5.613 3.794 1.00 25.00 N ATOM 80 CA TRP A 591 19.857 -5.778 3.585 1.00 25.00 C ATOM 81 C TRP A 591 19.530 -6.840 2.520 1.00 25.00 C ATOM 82 O TRP A 591 18.581 -7.604 2.684 1.00 25.00 O ATOM 83 CB TRP A 591 19.194 -4.419 3.238 1.00 25.00 C ATOM 84 CG TRP A 591 19.582 -3.790 1.907 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.590 -2.897 1.665 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.934 -4.007 0.641 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.612 -2.549 0.336 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.609 -3.218 -0.315 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.854 -4.792 0.221 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.234 -3.193 -1.657 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.486 -4.765 -1.111 1.00 25.00 C ATOM 92 CH2 TRP A 591 18.174 -3.972 -2.036 1.00 25.00 C ATOM 0 H TRP A 591 21.674 -4.713 3.480 1.00 25.00 H new ATOM 0 HA TRP A 591 19.440 -6.139 4.525 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.113 -4.555 3.248 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.433 -3.711 4.032 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.272 -2.519 2.413 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.268 -1.898 -0.096 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.317 -5.409 0.926 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.761 -2.580 -2.373 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.653 -5.366 -1.444 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.862 -3.975 -3.070 1.00 25.00 H new ATOM 103 N HIS A 592 20.336 -6.896 1.452 1.00 25.00 N ATOM 104 CA HIS A 592 20.141 -7.874 0.369 1.00 25.00 C ATOM 105 C HIS A 592 20.540 -9.296 0.816 1.00 25.00 C ATOM 106 O HIS A 592 20.214 -10.280 0.142 1.00 25.00 O ATOM 107 CB HIS A 592 20.949 -7.446 -0.873 1.00 25.00 C ATOM 108 CG HIS A 592 20.554 -8.131 -2.156 1.00 25.00 C ATOM 109 ND1 HIS A 592 21.448 -8.836 -2.936 1.00 25.00 N ATOM 110 CD2 HIS A 592 19.359 -8.211 -2.795 1.00 25.00 C ATOM 111 CE1 HIS A 592 20.822 -9.317 -3.997 1.00 25.00 C ATOM 112 NE2 HIS A 592 19.555 -8.954 -3.934 1.00 25.00 N ATOM 0 H HIS A 592 21.132 -6.274 1.313 1.00 25.00 H new ATOM 0 HA HIS A 592 19.081 -7.897 0.114 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.841 -6.369 -1.005 1.00 25.00 H new ATOM 0 HB3 HIS A 592 22.005 -7.640 -0.685 1.00 25.00 H new ATOM 0 HD2 HIS A 592 18.428 -7.772 -2.469 1.00 25.00 H new ATOM 0 HE1 HIS A 592 21.272 -9.907 -4.782 1.00 25.00 H new ATOM 0 HE2 HIS A 592 18.837 -9.187 -4.620 1.00 25.00 H new ATOM 121 N GLU A 593 21.233 -9.388 1.961 1.00 25.00 N ATOM 122 CA GLU A 593 21.670 -10.674 2.517 1.00 25.00 C ATOM 123 C GLU A 593 20.555 -11.363 3.318 1.00 25.00 C ATOM 124 O GLU A 593 20.587 -12.586 3.496 1.00 25.00 O ATOM 125 CB GLU A 593 22.908 -10.482 3.399 1.00 25.00 C ATOM 126 CG GLU A 593 24.167 -10.145 2.616 1.00 25.00 C ATOM 127 CD GLU A 593 24.554 -11.232 1.631 1.00 25.00 C ATOM 128 OE1 GLU A 593 24.703 -12.396 2.058 1.00 25.00 O ATOM 129 OE2 GLU A 593 24.704 -10.919 0.431 1.00 25.00 O ATOM 0 H GLU A 593 21.503 -8.580 2.522 1.00 25.00 H new ATOM 0 HA GLU A 593 21.922 -11.321 1.677 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.712 -9.685 4.117 1.00 25.00 H new ATOM 0 HB3 GLU A 593 23.080 -11.393 3.973 1.00 25.00 H new ATOM 0 HG2 GLU A 593 24.015 -9.210 2.077 1.00 25.00 H new ATOM 0 HG3 GLU A 593 24.990 -9.982 3.312 1.00 25.00 H new ATOM 136 N HIS A 594 19.574 -10.577 3.792 1.00 25.00 N ATOM 137 CA HIS A 594 18.447 -11.125 4.560 1.00 25.00 C ATOM 138 C HIS A 594 17.095 -10.951 3.851 1.00 25.00 C ATOM 139 O HIS A 594 16.154 -11.696 4.145 1.00 25.00 O ATOM 140 CB HIS A 594 18.378 -10.537 5.987 1.00 25.00 C ATOM 141 CG HIS A 594 19.562 -10.806 6.874 1.00 25.00 C ATOM 142 ND1 HIS A 594 19.869 -12.062 7.352 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.477 -9.968 7.413 1.00 25.00 C ATOM 144 CE1 HIS A 594 20.921 -11.983 8.149 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.310 -10.723 8.202 1.00 25.00 N ATOM 0 H HIS A 594 19.540 -9.567 3.657 1.00 25.00 H new ATOM 0 HA HIS A 594 18.642 -12.195 4.634 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.248 -9.458 5.907 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.487 -10.930 6.477 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.541 -8.902 7.253 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.383 -12.809 8.668 1.00 25.00 H new ATOM 0 HE2 HIS A 594 22.100 -10.368 8.741 1.00 25.00 H new ATOM 154 N VAL A 595 16.991 -9.984 2.920 1.00 25.00 N ATOM 155 CA VAL A 595 15.725 -9.750 2.203 1.00 25.00 C ATOM 156 C VAL A 595 15.576 -10.744 1.041 1.00 25.00 C ATOM 157 O VAL A 595 16.464 -10.865 0.190 1.00 25.00 O ATOM 158 CB VAL A 595 15.581 -8.271 1.693 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.358 -8.078 0.790 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.490 -7.308 2.866 1.00 25.00 C ATOM 0 H VAL A 595 17.754 -9.363 2.651 1.00 25.00 H new ATOM 0 HA VAL A 595 14.919 -9.913 2.918 1.00 25.00 H new ATOM 0 HB VAL A 595 16.473 -8.059 1.103 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.306 -7.039 0.466 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.444 -8.726 -0.082 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.454 -8.331 1.343 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.391 -6.289 2.493 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.621 -7.558 3.475 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.393 -7.386 3.472 1.00 25.00 H new ATOM 170 N THR A 596 14.438 -11.443 1.035 1.00 25.00 N ATOM 171 CA THR A 596 14.135 -12.453 0.018 1.00 25.00 C ATOM 172 C THR A 596 12.980 -12.009 -0.881 1.00 25.00 C ATOM 173 O THR A 596 12.495 -10.878 -0.776 1.00 25.00 O ATOM 174 CB THR A 596 13.764 -13.823 0.647 1.00 25.00 C ATOM 175 OG1 THR A 596 12.529 -13.723 1.371 1.00 25.00 O ATOM 176 CG2 THR A 596 14.846 -14.325 1.582 1.00 25.00 C ATOM 0 H THR A 596 13.703 -11.325 1.732 1.00 25.00 H new ATOM 0 HA THR A 596 15.044 -12.565 -0.573 1.00 25.00 H new ATOM 0 HB THR A 596 13.658 -14.534 -0.173 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.593 -14.242 2.200 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.548 -15.286 2.001 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.778 -14.444 1.029 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.992 -13.607 2.389 1.00 25.00 H new ATOM 184 N GLN A 597 12.553 -12.919 -1.766 1.00 25.00 N ATOM 185 CA GLN A 597 11.328 -12.748 -2.555 1.00 25.00 C ATOM 186 C GLN A 597 10.095 -12.928 -1.652 1.00 25.00 C ATOM 187 O GLN A 597 8.993 -12.490 -1.995 1.00 25.00 O ATOM 188 CB GLN A 597 11.267 -13.768 -3.717 1.00 25.00 C ATOM 189 CG GLN A 597 12.296 -13.550 -4.830 1.00 25.00 C ATOM 190 CD GLN A 597 12.220 -14.592 -5.943 1.00 25.00 C ATOM 191 OE1 GLN A 597 13.029 -14.591 -6.875 1.00 25.00 O ATOM 192 NE2 GLN A 597 11.232 -15.470 -5.868 1.00 25.00 N ATOM 0 H GLN A 597 13.046 -13.792 -1.954 1.00 25.00 H new ATOM 0 HA GLN A 597 11.334 -11.743 -2.976 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.404 -14.769 -3.308 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.269 -13.736 -4.155 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.150 -12.559 -5.260 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.296 -13.565 -4.397 1.00 25.00 H new ATOM 0 HE21 GLN A 597 10.582 -15.441 -5.082 1.00 25.00 H new ATOM 0 HE22 GLN A 597 11.121 -16.176 -6.596 1.00 25.00 H new ATOM 201 N ASP A 598 10.312 -13.568 -0.484 1.00 25.00 N ATOM 202 CA ASP A 598 9.237 -13.866 0.469 1.00 25.00 C ATOM 203 C ASP A 598 8.915 -12.649 1.354 1.00 25.00 C ATOM 204 O ASP A 598 7.755 -12.464 1.738 1.00 25.00 O ATOM 205 CB ASP A 598 9.621 -15.081 1.330 1.00 25.00 C ATOM 206 CG ASP A 598 9.691 -16.382 0.541 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.818 -16.597 -0.326 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.618 -17.179 0.794 1.00 25.00 O ATOM 0 H ASP A 598 11.232 -13.888 -0.182 1.00 25.00 H new ATOM 0 HA ASP A 598 8.336 -14.104 -0.097 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.588 -14.895 1.797 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.894 -15.191 2.135 1.00 25.00 H new ATOM 213 N LEU A 599 9.935 -11.826 1.685 1.00 25.00 N ATOM 214 CA LEU A 599 9.699 -10.565 2.416 1.00 25.00 C ATOM 215 C LEU A 599 8.866 -9.590 1.582 1.00 25.00 C ATOM 216 O LEU A 599 7.869 -9.063 2.066 1.00 25.00 O ATOM 217 CB LEU A 599 11.017 -9.875 2.844 1.00 25.00 C ATOM 218 CG LEU A 599 10.910 -8.556 3.647 1.00 25.00 C ATOM 219 CD1 LEU A 599 10.420 -8.857 5.049 1.00 25.00 C ATOM 220 CD2 LEU A 599 12.241 -7.815 3.757 1.00 25.00 C ATOM 0 H LEU A 599 10.913 -12.009 1.461 1.00 25.00 H new ATOM 0 HA LEU A 599 9.148 -10.835 3.317 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.589 -10.585 3.441 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.598 -9.674 1.944 1.00 25.00 H new ATOM 0 HG LEU A 599 10.212 -7.917 3.106 1.00 25.00 H new ATOM 0 HD11 LEU A 599 10.344 -7.929 5.615 1.00 25.00 H new ATOM 0 HD12 LEU A 599 9.440 -9.332 4.998 1.00 25.00 H new ATOM 0 HD13 LEU A 599 11.123 -9.528 5.544 1.00 25.00 H new ATOM 0 HD21 LEU A 599 12.101 -6.899 4.331 1.00 25.00 H new ATOM 0 HD22 LEU A 599 12.971 -8.450 4.260 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.603 -7.566 2.759 1.00 25.00 H new ATOM 232 N ARG A 600 9.257 -9.401 0.310 1.00 25.00 N ATOM 233 CA ARG A 600 8.604 -8.430 -0.600 1.00 25.00 C ATOM 234 C ARG A 600 7.093 -8.671 -0.708 1.00 25.00 C ATOM 235 O ARG A 600 6.322 -7.741 -0.954 1.00 25.00 O ATOM 236 CB ARG A 600 9.221 -8.512 -2.004 1.00 25.00 C ATOM 237 CG ARG A 600 10.652 -8.005 -2.083 1.00 25.00 C ATOM 238 CD ARG A 600 11.222 -8.103 -3.494 1.00 25.00 C ATOM 239 NE ARG A 600 10.632 -7.114 -4.409 1.00 25.00 N ATOM 240 CZ ARG A 600 10.869 -7.057 -5.729 1.00 25.00 C ATOM 241 NH1 ARG A 600 11.679 -7.932 -6.324 1.00 25.00 N ATOM 242 NH2 ARG A 600 10.286 -6.115 -6.458 1.00 25.00 N ATOM 0 H ARG A 600 10.029 -9.911 -0.119 1.00 25.00 H new ATOM 0 HA ARG A 600 8.767 -7.439 -0.176 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.195 -9.548 -2.341 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.604 -7.937 -2.695 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.687 -6.968 -1.750 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.277 -8.580 -1.400 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.302 -7.960 -3.457 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.046 -9.105 -3.885 1.00 25.00 H new ATOM 0 HE ARG A 600 9.997 -6.422 -4.012 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.132 -8.662 -5.775 1.00 25.00 H new ATOM 0 HH12 ARG A 600 11.846 -7.871 -7.328 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.662 -5.440 -6.015 1.00 25.00 H new ATOM 0 HH22 ARG A 600 10.461 -6.065 -7.462 1.00 25.00 H new ATOM 256 N SER A 601 6.697 -9.934 -0.516 1.00 25.00 N ATOM 257 CA SER A 601 5.287 -10.336 -0.550 1.00 25.00 C ATOM 258 C SER A 601 4.587 -10.062 0.796 1.00 25.00 C ATOM 259 O SER A 601 3.387 -9.773 0.824 1.00 25.00 O ATOM 260 CB SER A 601 5.180 -11.827 -0.898 1.00 25.00 C ATOM 261 OG SER A 601 5.793 -12.635 0.093 1.00 25.00 O ATOM 0 H SER A 601 7.342 -10.703 -0.333 1.00 25.00 H new ATOM 0 HA SER A 601 4.787 -9.742 -1.315 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.131 -12.104 -0.998 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.652 -12.012 -1.863 1.00 25.00 H new ATOM 0 HG SER A 601 6.427 -12.095 0.609 1.00 25.00 H new ATOM 267 N HIS A 602 5.348 -10.156 1.902 1.00 25.00 N ATOM 268 CA HIS A 602 4.828 -9.876 3.252 1.00 25.00 C ATOM 269 C HIS A 602 4.808 -8.362 3.523 1.00 25.00 C ATOM 270 O HIS A 602 4.005 -7.874 4.321 1.00 25.00 O ATOM 271 CB HIS A 602 5.677 -10.610 4.307 1.00 25.00 C ATOM 272 CG HIS A 602 5.747 -12.101 4.117 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.674 -12.898 4.755 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.996 -12.935 3.356 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.493 -14.157 4.394 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.481 -14.206 3.547 1.00 25.00 N ATOM 0 H HIS A 602 6.332 -10.426 1.886 1.00 25.00 H new ATOM 0 HA HIS A 602 3.803 -10.241 3.315 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.689 -10.205 4.288 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.268 -10.400 5.295 1.00 25.00 H new ATOM 0 HD2 HIS A 602 4.171 -12.653 2.719 1.00 25.00 H new ATOM 0 HE1 HIS A 602 7.074 -15.002 4.734 1.00 25.00 H new ATOM 0 HE2 HIS A 602 5.118 -15.051 3.106 1.00 25.00 H new ATOM 285 N LEU A 603 5.713 -7.640 2.846 1.00 25.00 N ATOM 286 CA LEU A 603 5.753 -6.169 2.845 1.00 25.00 C ATOM 287 C LEU A 603 4.520 -5.597 2.135 1.00 25.00 C ATOM 288 O LEU A 603 4.029 -4.519 2.478 1.00 25.00 O ATOM 289 CB LEU A 603 7.041 -5.714 2.120 1.00 25.00 C ATOM 290 CG LEU A 603 8.386 -5.697 2.923 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.564 -5.332 2.057 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.384 -4.754 4.114 1.00 25.00 C ATOM 0 H LEU A 603 6.446 -8.065 2.278 1.00 25.00 H new ATOM 0 HA LEU A 603 5.751 -5.803 3.872 1.00 25.00 H new ATOM 0 HB2 LEU A 603 7.180 -6.362 1.254 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.869 -4.707 1.740 1.00 25.00 H new ATOM 0 HG LEU A 603 8.480 -6.720 3.287 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.473 -5.334 2.659 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.662 -6.059 1.250 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.411 -4.339 1.634 1.00 25.00 H new ATOM 0 HD21 LEU A 603 9.350 -4.801 4.617 1.00 25.00 H new ATOM 0 HD22 LEU A 603 8.202 -3.735 3.771 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.598 -5.048 4.810 1.00 25.00 H new ATOM 304 N VAL A 604 4.041 -6.353 1.136 1.00 25.00 N ATOM 305 CA VAL A 604 2.836 -6.033 0.379 1.00 25.00 C ATOM 306 C VAL A 604 1.573 -6.519 1.122 1.00 25.00 C ATOM 307 O VAL A 604 0.518 -5.891 1.029 1.00 25.00 O ATOM 308 CB VAL A 604 2.961 -6.648 -1.049 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.641 -6.707 -1.808 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.967 -5.848 -1.859 1.00 25.00 C ATOM 0 H VAL A 604 4.492 -7.216 0.832 1.00 25.00 H new ATOM 0 HA VAL A 604 2.733 -4.952 0.280 1.00 25.00 H new ATOM 0 HB VAL A 604 3.293 -7.677 -0.914 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.806 -7.146 -2.792 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.929 -7.318 -1.253 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.242 -5.699 -1.923 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.055 -6.278 -2.857 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.631 -4.814 -1.937 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.938 -5.878 -1.365 1.00 25.00 H new ATOM 320 N HIS A 605 1.703 -7.633 1.858 1.00 25.00 N ATOM 321 CA HIS A 605 0.605 -8.173 2.678 1.00 25.00 C ATOM 322 C HIS A 605 0.431 -7.347 3.967 1.00 25.00 C ATOM 323 O HIS A 605 -0.603 -7.429 4.633 1.00 25.00 O ATOM 324 CB HIS A 605 0.861 -9.654 3.007 1.00 25.00 C ATOM 325 CG HIS A 605 -0.292 -10.348 3.685 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.508 -10.560 3.070 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.408 -10.868 4.933 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.322 -11.177 3.909 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.679 -11.375 5.043 1.00 25.00 N ATOM 0 H HIS A 605 2.562 -8.181 1.903 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.320 -8.104 2.106 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.096 -10.184 2.084 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.740 -9.725 3.648 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.356 -10.881 5.696 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.341 -11.469 3.701 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.064 -11.832 5.870 1.00 25.00 H new ATOM 338 N LYS A 606 1.465 -6.558 4.293 1.00 25.00 N ATOM 339 CA LYS A 606 1.453 -5.632 5.436 1.00 25.00 C ATOM 340 C LYS A 606 0.805 -4.314 4.993 1.00 25.00 C ATOM 341 O LYS A 606 0.237 -3.562 5.789 1.00 25.00 O ATOM 342 CB LYS A 606 2.905 -5.396 5.890 1.00 25.00 C ATOM 343 CG LYS A 606 3.091 -4.386 7.025 1.00 25.00 C ATOM 344 CD LYS A 606 4.547 -4.276 7.436 1.00 25.00 C ATOM 345 CE LYS A 606 4.742 -3.227 8.527 1.00 25.00 C ATOM 346 NZ LYS A 606 6.166 -3.108 8.958 1.00 25.00 N ATOM 0 H LYS A 606 2.339 -6.544 3.768 1.00 25.00 H new ATOM 0 HA LYS A 606 0.882 -6.045 6.268 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.327 -6.350 6.205 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.485 -5.059 5.030 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.726 -3.409 6.708 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.491 -4.687 7.884 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.900 -5.244 7.793 1.00 25.00 H new ATOM 0 HD3 LYS A 606 5.153 -4.017 6.568 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.394 -2.260 8.163 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.125 -3.484 9.388 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.245 -2.383 9.700 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.493 -4.022 9.331 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.753 -2.836 8.144 1.00 25.00 H new ATOM 360 N LEU A 607 0.922 -4.089 3.689 1.00 25.00 N ATOM 361 CA LEU A 607 0.469 -2.896 3.001 1.00 25.00 C ATOM 362 C LEU A 607 -1.007 -3.016 2.574 1.00 25.00 C ATOM 363 O LEU A 607 -1.768 -2.059 2.702 1.00 25.00 O ATOM 364 CB LEU A 607 1.430 -2.730 1.823 1.00 25.00 C ATOM 365 CG LEU A 607 1.256 -1.559 0.833 1.00 25.00 C ATOM 366 CD1 LEU A 607 1.261 -0.183 1.489 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.386 -1.621 -0.158 1.00 25.00 C ATOM 0 H LEU A 607 1.355 -4.765 3.060 1.00 25.00 H new ATOM 0 HA LEU A 607 0.488 -2.013 3.640 1.00 25.00 H new ATOM 0 HB2 LEU A 607 2.436 -2.656 2.236 1.00 25.00 H new ATOM 0 HB3 LEU A 607 1.390 -3.652 1.242 1.00 25.00 H new ATOM 0 HG LEU A 607 0.277 -1.675 0.367 1.00 25.00 H new ATOM 0 HD11 LEU A 607 1.134 0.585 0.726 1.00 25.00 H new ATOM 0 HD12 LEU A 607 0.444 -0.119 2.207 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.209 -0.029 2.004 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.289 -0.803 -0.872 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.337 -1.532 0.368 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.352 -2.572 -0.689 1.00 25.00 H new ATOM 379 N VAL A 608 -1.394 -4.208 2.092 1.00 25.00 N ATOM 380 CA VAL A 608 -2.781 -4.498 1.668 1.00 25.00 C ATOM 381 C VAL A 608 -3.707 -4.724 2.888 1.00 25.00 C ATOM 382 O VAL A 608 -4.921 -4.528 2.786 1.00 25.00 O ATOM 383 CB VAL A 608 -2.818 -5.733 0.698 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.240 -6.179 0.376 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.089 -5.422 -0.606 1.00 25.00 C ATOM 0 H VAL A 608 -0.759 -4.999 1.984 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.155 -3.628 1.128 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.315 -6.546 1.221 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.209 -7.035 -0.298 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -4.750 -6.460 1.297 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -4.779 -5.361 -0.102 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.128 -6.292 -1.261 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.568 -4.576 -1.098 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.049 -5.176 -0.392 1.00 25.00 H new ATOM 395 N GLN A 609 -3.130 -5.120 4.035 1.00 25.00 N ATOM 396 CA GLN A 609 -3.912 -5.352 5.261 1.00 25.00 C ATOM 397 C GLN A 609 -4.222 -4.026 5.974 1.00 25.00 C ATOM 398 O GLN A 609 -5.226 -3.910 6.683 1.00 25.00 O ATOM 399 CB GLN A 609 -3.202 -6.342 6.203 1.00 25.00 C ATOM 400 CG GLN A 609 -3.182 -7.767 5.695 1.00 25.00 C ATOM 401 CD GLN A 609 -4.564 -8.371 5.537 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.381 -8.328 6.458 1.00 25.00 O ATOM 403 NE2 GLN A 609 -4.834 -8.948 4.371 1.00 25.00 N ATOM 0 H GLN A 609 -2.129 -5.286 4.139 1.00 25.00 H new ATOM 0 HA GLN A 609 -4.860 -5.805 4.970 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.176 -6.008 6.358 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -3.695 -6.320 7.175 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -2.670 -7.795 4.733 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -2.602 -8.382 6.383 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.129 -8.962 3.634 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -5.746 -9.377 4.213 1.00 25.00 H new ATOM 412 N ALA A 610 -3.338 -3.038 5.770 1.00 25.00 N ATOM 413 CA ALA A 610 -3.528 -1.685 6.287 1.00 25.00 C ATOM 414 C ALA A 610 -4.585 -0.924 5.483 1.00 25.00 C ATOM 415 O ALA A 610 -5.295 -0.073 6.026 1.00 25.00 O ATOM 416 CB ALA A 610 -2.205 -0.941 6.255 1.00 25.00 C ATOM 0 H ALA A 610 -2.474 -3.160 5.242 1.00 25.00 H new ATOM 0 HA ALA A 610 -3.883 -1.755 7.315 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.346 0.069 6.641 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.477 -1.467 6.872 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.841 -0.890 5.229 1.00 25.00 H new ATOM 422 N ILE A 611 -4.689 -1.252 4.185 1.00 25.00 N ATOM 423 CA ILE A 611 -5.674 -0.628 3.296 1.00 25.00 C ATOM 424 C ILE A 611 -7.036 -1.339 3.448 1.00 25.00 C ATOM 425 O ILE A 611 -8.049 -0.682 3.707 1.00 25.00 O ATOM 426 CB ILE A 611 -5.200 -0.624 1.801 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.845 0.099 1.660 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.238 0.070 0.920 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.193 0.003 0.284 1.00 25.00 C ATOM 0 H ILE A 611 -4.099 -1.949 3.730 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.783 0.416 3.590 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.084 -1.659 1.480 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.987 1.152 1.904 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.156 -0.309 2.399 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.897 0.066 -0.115 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.188 -0.459 0.991 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.370 1.099 1.255 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.247 0.544 0.291 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -3.011 -1.044 0.040 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.855 0.440 -0.464 1.00 25.00 H new ATOM 441 N PHE A 612 -7.049 -2.675 3.282 1.00 25.00 N ATOM 442 CA PHE A 612 -8.232 -3.480 3.579 1.00 25.00 C ATOM 443 C PHE A 612 -7.829 -4.803 4.274 1.00 25.00 C ATOM 444 O PHE A 612 -7.319 -5.716 3.615 1.00 25.00 O ATOM 445 CB PHE A 612 -9.041 -3.759 2.295 1.00 25.00 C ATOM 446 CG PHE A 612 -10.368 -4.423 2.540 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.537 -3.688 2.475 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.438 -5.770 2.845 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.760 -4.287 2.709 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.658 -6.378 3.078 1.00 25.00 C ATOM 451 CZ PHE A 612 -12.820 -5.636 3.011 1.00 25.00 C ATOM 0 H PHE A 612 -6.251 -3.212 2.944 1.00 25.00 H new ATOM 0 HA PHE A 612 -8.867 -2.916 4.262 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.209 -2.818 1.772 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.447 -4.390 1.634 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.494 -2.635 2.239 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.531 -6.353 2.902 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.667 -3.703 2.656 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -11.702 -7.431 3.312 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.774 -6.107 3.194 1.00 25.00 H new ATOM 461 N PRO A 613 -8.038 -4.925 5.626 1.00 25.00 N ATOM 462 CA PRO A 613 -7.777 -6.179 6.358 1.00 25.00 C ATOM 463 C PRO A 613 -8.907 -7.212 6.195 1.00 25.00 C ATOM 464 O PRO A 613 -10.086 -6.877 6.353 1.00 25.00 O ATOM 465 CB PRO A 613 -7.670 -5.695 7.811 1.00 25.00 C ATOM 466 CG PRO A 613 -8.496 -4.458 7.864 1.00 25.00 C ATOM 467 CD PRO A 613 -8.487 -3.846 6.555 1.00 25.00 C ATOM 0 HA PRO A 613 -6.891 -6.700 5.995 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.041 -6.448 8.507 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -6.635 -5.491 8.084 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -9.516 -4.696 8.164 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.098 -3.768 8.608 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.477 -3.479 6.284 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -7.811 -2.992 6.524 1.00 25.00 H new ATOM 475 N THR A 614 -8.537 -8.460 5.871 1.00 25.00 N ATOM 476 CA THR A 614 -9.521 -9.532 5.678 1.00 25.00 C ATOM 477 C THR A 614 -8.946 -10.925 6.019 1.00 25.00 C ATOM 478 O THR A 614 -7.889 -11.307 5.508 1.00 25.00 O ATOM 479 CB THR A 614 -10.133 -9.542 4.247 1.00 25.00 C ATOM 480 OG1 THR A 614 -11.073 -10.618 4.106 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.069 -9.648 3.160 1.00 25.00 C ATOM 0 H THR A 614 -7.568 -8.749 5.738 1.00 25.00 H new ATOM 0 HA THR A 614 -10.325 -9.312 6.380 1.00 25.00 H new ATOM 0 HB THR A 614 -10.645 -8.588 4.120 1.00 25.00 H new ATOM 0 HG1 THR A 614 -11.207 -10.813 3.155 1.00 25.00 H new ATOM 0 HG21 THR A 614 -9.548 -9.651 2.181 1.00 25.00 H new ATOM 0 HG22 THR A 614 -8.391 -8.797 3.230 1.00 25.00 H new ATOM 0 HG23 THR A 614 -8.506 -10.572 3.291 1.00 25.00 H new ATOM 489 N PRO A 615 -9.650 -11.694 6.912 1.00 25.00 N ATOM 490 CA PRO A 615 -9.343 -13.119 7.197 1.00 25.00 C ATOM 491 C PRO A 615 -9.277 -14.005 5.946 1.00 25.00 C ATOM 492 O PRO A 615 -8.322 -14.761 5.758 1.00 25.00 O ATOM 493 CB PRO A 615 -10.528 -13.562 8.052 1.00 25.00 C ATOM 494 CG PRO A 615 -10.958 -12.342 8.781 1.00 25.00 C ATOM 495 CD PRO A 615 -10.775 -11.211 7.756 1.00 25.00 C ATOM 0 HA PRO A 615 -8.363 -13.215 7.664 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -11.334 -13.956 7.434 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -10.241 -14.354 8.744 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -11.994 -12.418 9.110 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -10.352 -12.175 9.672 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -11.679 -11.050 7.168 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -10.537 -10.264 8.240 1.00 25.00 H new ATOM 503 N ASP A 616 -10.320 -13.902 5.112 1.00 25.00 N ATOM 504 CA ASP A 616 -10.458 -14.705 3.885 1.00 25.00 C ATOM 505 C ASP A 616 -9.460 -14.278 2.792 1.00 25.00 C ATOM 506 O ASP A 616 -9.517 -13.142 2.310 1.00 25.00 O ATOM 507 CB ASP A 616 -11.890 -14.610 3.338 1.00 25.00 C ATOM 508 CG ASP A 616 -12.180 -15.636 2.255 1.00 25.00 C ATOM 509 OD1 ASP A 616 -11.288 -16.463 1.966 1.00 25.00 O ATOM 510 OD2 ASP A 616 -13.295 -15.610 1.696 1.00 25.00 O ATOM 0 H ASP A 616 -11.096 -13.258 5.268 1.00 25.00 H new ATOM 0 HA ASP A 616 -10.235 -15.737 4.156 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -12.596 -14.745 4.157 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -12.055 -13.610 2.937 1.00 25.00 H new ATOM 515 N PRO A 617 -8.509 -15.186 2.393 1.00 25.00 N ATOM 516 CA PRO A 617 -7.594 -14.940 1.249 1.00 25.00 C ATOM 517 C PRO A 617 -8.306 -14.898 -0.120 1.00 25.00 C ATOM 518 O PRO A 617 -7.704 -14.505 -1.125 1.00 25.00 O ATOM 519 CB PRO A 617 -6.631 -16.135 1.303 1.00 25.00 C ATOM 520 CG PRO A 617 -7.408 -17.223 1.960 1.00 25.00 C ATOM 521 CD PRO A 617 -8.200 -16.488 3.050 1.00 25.00 C ATOM 0 HA PRO A 617 -7.115 -13.965 1.336 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -6.308 -16.428 0.304 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -5.732 -15.893 1.870 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -8.069 -17.727 1.255 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -6.753 -17.985 2.384 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -9.105 -17.028 3.329 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -7.614 -16.356 3.960 1.00 25.00 H new ATOM 529 N ALA A 618 -9.590 -15.299 -0.140 1.00 25.00 N ATOM 530 CA ALA A 618 -10.380 -15.388 -1.378 1.00 25.00 C ATOM 531 C ALA A 618 -10.803 -14.010 -1.914 1.00 25.00 C ATOM 532 O ALA A 618 -11.302 -13.905 -3.041 1.00 25.00 O ATOM 533 CB ALA A 618 -11.606 -16.262 -1.143 1.00 25.00 C ATOM 0 H ALA A 618 -10.106 -15.569 0.698 1.00 25.00 H new ATOM 0 HA ALA A 618 -9.742 -15.838 -2.139 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -12.189 -16.326 -2.062 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -11.289 -17.261 -0.844 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -12.219 -15.825 -0.354 1.00 25.00 H new ATOM 539 N ALA A 619 -10.594 -12.961 -1.104 1.00 25.00 N ATOM 540 CA ALA A 619 -10.906 -11.581 -1.502 1.00 25.00 C ATOM 541 C ALA A 619 -9.775 -10.961 -2.329 1.00 25.00 C ATOM 542 O ALA A 619 -9.965 -9.930 -2.983 1.00 25.00 O ATOM 543 CB ALA A 619 -11.164 -10.729 -0.270 1.00 25.00 C ATOM 0 H ALA A 619 -10.208 -13.044 -0.164 1.00 25.00 H new ATOM 0 HA ALA A 619 -11.801 -11.611 -2.123 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.394 -9.708 -0.575 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.006 -11.140 0.287 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.277 -10.727 0.363 1.00 25.00 H new ATOM 549 N LEU A 620 -8.603 -11.608 -2.294 1.00 25.00 N ATOM 550 CA LEU A 620 -7.406 -11.118 -2.975 1.00 25.00 C ATOM 551 C LEU A 620 -7.335 -11.600 -4.436 1.00 25.00 C ATOM 552 O LEU A 620 -6.391 -11.265 -5.161 1.00 25.00 O ATOM 553 CB LEU A 620 -6.143 -11.580 -2.207 1.00 25.00 C ATOM 554 CG LEU A 620 -5.897 -11.007 -0.781 1.00 25.00 C ATOM 555 CD1 LEU A 620 -4.593 -11.523 -0.182 1.00 25.00 C ATOM 556 CD2 LEU A 620 -5.921 -9.480 -0.762 1.00 25.00 C ATOM 0 H LEU A 620 -8.462 -12.485 -1.792 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.455 -10.029 -2.990 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.181 -12.666 -2.127 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.274 -11.336 -2.818 1.00 25.00 H new ATOM 0 HG LEU A 620 -6.721 -11.362 -0.163 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -4.457 -11.100 0.813 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -4.630 -12.610 -0.113 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -3.759 -11.228 -0.818 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -5.745 -9.126 0.254 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.142 -9.096 -1.420 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -6.893 -9.127 -1.106 1.00 25.00 H new ATOM 568 N LYS A 621 -8.342 -12.377 -4.858 1.00 25.00 N ATOM 569 CA LYS A 621 -8.392 -12.935 -6.213 1.00 25.00 C ATOM 570 C LYS A 621 -9.445 -12.196 -7.066 1.00 25.00 C ATOM 571 O LYS A 621 -9.823 -12.653 -8.152 1.00 25.00 O ATOM 572 CB LYS A 621 -8.697 -14.450 -6.134 1.00 25.00 C ATOM 573 CG LYS A 621 -7.728 -15.288 -5.281 1.00 25.00 C ATOM 574 CD LYS A 621 -6.295 -15.302 -5.833 1.00 25.00 C ATOM 575 CE LYS A 621 -5.339 -16.097 -4.957 1.00 25.00 C ATOM 576 NZ LYS A 621 -3.928 -16.035 -5.441 1.00 25.00 N ATOM 0 H LYS A 621 -9.138 -12.634 -4.274 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.425 -12.798 -6.697 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -9.704 -14.578 -5.736 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -8.701 -14.853 -7.147 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -7.715 -14.895 -4.265 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -8.098 -16.312 -5.222 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -6.300 -15.726 -6.837 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -5.934 -14.277 -5.922 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -5.386 -15.717 -3.937 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -5.662 -17.137 -4.924 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -3.319 -16.593 -4.809 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -3.874 -16.423 -6.405 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -3.606 -15.046 -5.447 1.00 25.00 H new ATOM 590 N ASP A 622 -9.892 -11.036 -6.565 1.00 25.00 N ATOM 591 CA ASP A 622 -10.932 -10.239 -7.221 1.00 25.00 C ATOM 592 C ASP A 622 -10.317 -9.273 -8.248 1.00 25.00 C ATOM 593 O ASP A 622 -9.124 -8.961 -8.184 1.00 25.00 O ATOM 594 CB ASP A 622 -11.727 -9.470 -6.152 1.00 25.00 C ATOM 595 CG ASP A 622 -13.076 -8.970 -6.649 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.449 -9.308 -7.791 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.755 -8.243 -5.893 1.00 25.00 O ATOM 0 H ASP A 622 -9.543 -10.627 -5.698 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.606 -10.903 -7.761 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.883 -10.117 -5.289 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.136 -8.620 -5.810 1.00 25.00 H new ATOM 602 N ARG A 623 -11.154 -8.809 -9.188 1.00 25.00 N ATOM 603 CA ARG A 623 -10.729 -7.891 -10.254 1.00 25.00 C ATOM 604 C ARG A 623 -10.488 -6.470 -9.707 1.00 25.00 C ATOM 605 O ARG A 623 -9.436 -5.876 -9.956 1.00 25.00 O ATOM 606 CB ARG A 623 -11.791 -7.890 -11.380 1.00 25.00 C ATOM 607 CG ARG A 623 -11.501 -6.960 -12.556 1.00 25.00 C ATOM 608 CD ARG A 623 -10.225 -7.350 -13.292 1.00 25.00 C ATOM 609 NE ARG A 623 -9.892 -6.406 -14.367 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.667 -6.245 -14.892 1.00 25.00 C ATOM 611 NH1 ARG A 623 -7.629 -6.958 -14.455 1.00 25.00 N ATOM 612 NH2 ARG A 623 -8.484 -5.362 -15.863 1.00 25.00 N ATOM 0 H ARG A 623 -12.142 -9.059 -9.230 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.779 -8.236 -10.663 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -11.893 -8.907 -11.760 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -12.753 -7.613 -10.948 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -12.341 -6.981 -13.250 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -11.412 -5.936 -12.195 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -9.399 -7.396 -12.583 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.341 -8.349 -13.712 1.00 25.00 H new ATOM 0 HE ARG A 623 -10.646 -5.831 -14.742 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -7.758 -7.641 -13.708 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -6.706 -6.821 -14.867 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -9.271 -4.811 -16.206 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.556 -5.234 -16.267 1.00 25.00 H new ATOM 626 N ARG A 624 -11.478 -5.944 -8.968 1.00 25.00 N ATOM 627 CA ARG A 624 -11.399 -4.612 -8.328 1.00 25.00 C ATOM 628 C ARG A 624 -10.204 -4.488 -7.367 1.00 25.00 C ATOM 629 O ARG A 624 -9.642 -3.402 -7.204 1.00 25.00 O ATOM 630 CB ARG A 624 -12.700 -4.305 -7.555 1.00 25.00 C ATOM 631 CG ARG A 624 -13.946 -4.106 -8.428 1.00 25.00 C ATOM 632 CD ARG A 624 -15.095 -5.034 -8.039 1.00 25.00 C ATOM 633 NE ARG A 624 -16.289 -4.801 -8.861 1.00 25.00 N ATOM 634 CZ ARG A 624 -17.426 -5.510 -8.779 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.553 -6.514 -7.913 1.00 25.00 N ATOM 636 NH2 ARG A 624 -18.442 -5.208 -9.576 1.00 25.00 N ATOM 0 H ARG A 624 -12.359 -6.428 -8.795 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.260 -3.891 -9.133 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.891 -5.121 -6.858 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.546 -3.406 -6.959 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -14.278 -3.071 -8.349 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -13.684 -4.278 -9.472 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -14.777 -6.071 -8.147 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -15.343 -4.884 -6.988 1.00 25.00 H new ATOM 0 HE ARG A 624 -16.252 -4.045 -9.545 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -16.778 -6.757 -7.296 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -18.426 -7.040 -7.867 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -18.356 -4.442 -10.244 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -19.310 -5.741 -9.521 1.00 25.00 H new ATOM 650 N MET A 625 -9.823 -5.614 -6.755 1.00 25.00 N ATOM 651 CA MET A 625 -8.739 -5.656 -5.766 1.00 25.00 C ATOM 652 C MET A 625 -7.359 -5.709 -6.441 1.00 25.00 C ATOM 653 O MET A 625 -6.398 -5.124 -5.935 1.00 25.00 O ATOM 654 CB MET A 625 -8.930 -6.882 -4.867 1.00 25.00 C ATOM 655 CG MET A 625 -7.918 -6.994 -3.733 1.00 25.00 C ATOM 656 SD MET A 625 -7.990 -5.593 -2.602 1.00 25.00 S ATOM 657 CE MET A 625 -9.267 -6.144 -1.486 1.00 25.00 C ATOM 0 H MET A 625 -10.256 -6.521 -6.930 1.00 25.00 H new ATOM 0 HA MET A 625 -8.778 -4.744 -5.171 1.00 25.00 H new ATOM 0 HB2 MET A 625 -9.933 -6.853 -4.441 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.871 -7.781 -5.481 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.100 -7.914 -3.178 1.00 25.00 H new ATOM 0 HG3 MET A 625 -6.914 -7.067 -4.152 1.00 25.00 H new ATOM 0 HE1 MET A 625 -9.891 -5.297 -1.201 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.881 -6.898 -1.979 1.00 25.00 H new ATOM 0 HE3 MET A 625 -8.810 -6.574 -0.595 1.00 25.00 H new ATOM 667 N GLU A 626 -7.277 -6.424 -7.575 1.00 25.00 N ATOM 668 CA GLU A 626 -6.021 -6.591 -8.325 1.00 25.00 C ATOM 669 C GLU A 626 -5.441 -5.244 -8.820 1.00 25.00 C ATOM 670 O GLU A 626 -4.243 -5.152 -9.104 1.00 25.00 O ATOM 671 CB GLU A 626 -6.234 -7.559 -9.500 1.00 25.00 C ATOM 672 CG GLU A 626 -5.979 -9.025 -9.149 1.00 25.00 C ATOM 673 CD GLU A 626 -4.650 -9.532 -9.680 1.00 25.00 C ATOM 674 OE1 GLU A 626 -4.441 -9.475 -10.909 1.00 25.00 O ATOM 675 OE2 GLU A 626 -3.820 -9.983 -8.864 1.00 25.00 O ATOM 0 H GLU A 626 -8.075 -6.900 -7.996 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.286 -7.013 -7.640 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -7.257 -7.455 -9.863 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -5.574 -7.272 -10.319 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -6.002 -9.144 -8.066 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -6.785 -9.637 -9.554 1.00 25.00 H new ATOM 682 N ASN A 627 -6.297 -4.211 -8.919 1.00 25.00 N ATOM 683 CA ASN A 627 -5.858 -2.853 -9.288 1.00 25.00 C ATOM 684 C ASN A 627 -5.176 -2.145 -8.107 1.00 25.00 C ATOM 685 O ASN A 627 -4.356 -1.242 -8.301 1.00 25.00 O ATOM 686 CB ASN A 627 -7.044 -2.013 -9.784 1.00 25.00 C ATOM 687 CG ASN A 627 -7.594 -2.496 -11.113 1.00 25.00 C ATOM 688 OD1 ASN A 627 -6.891 -3.144 -11.890 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.852 -2.176 -11.387 1.00 25.00 N ATOM 0 H ASN A 627 -7.299 -4.291 -8.748 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.132 -2.953 -10.095 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.838 -2.038 -9.037 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.731 -0.974 -9.882 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.272 -2.468 -12.269 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.399 -1.638 -10.715 1.00 25.00 H new ATOM 696 N LEU A 628 -5.531 -2.572 -6.885 1.00 25.00 N ATOM 697 CA LEU A 628 -4.910 -2.077 -5.650 1.00 25.00 C ATOM 698 C LEU A 628 -3.639 -2.888 -5.342 1.00 25.00 C ATOM 699 O LEU A 628 -2.621 -2.325 -4.934 1.00 25.00 O ATOM 700 CB LEU A 628 -5.935 -2.144 -4.489 1.00 25.00 C ATOM 701 CG LEU A 628 -7.219 -1.280 -4.600 1.00 25.00 C ATOM 702 CD1 LEU A 628 -8.052 -1.431 -3.351 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.921 0.198 -4.809 1.00 25.00 C ATOM 0 H LEU A 628 -6.257 -3.271 -6.727 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.614 -1.035 -5.774 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.241 -3.184 -4.373 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -5.420 -1.860 -3.572 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.760 -1.641 -5.475 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.951 -0.821 -3.437 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -8.333 -2.477 -3.225 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -7.474 -1.105 -2.486 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -7.857 0.752 -4.879 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -6.339 0.574 -3.968 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -6.353 0.328 -5.730 1.00 25.00 H new ATOM 715 N VAL A 629 -3.723 -4.220 -5.527 1.00 25.00 N ATOM 716 CA VAL A 629 -2.571 -5.135 -5.377 1.00 25.00 C ATOM 717 C VAL A 629 -1.406 -4.696 -6.286 1.00 25.00 C ATOM 718 O VAL A 629 -0.237 -4.843 -5.926 1.00 25.00 O ATOM 719 CB VAL A 629 -3.010 -6.603 -5.702 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.835 -7.581 -5.810 1.00 25.00 C ATOM 721 CG2 VAL A 629 -4.009 -7.100 -4.660 1.00 25.00 C ATOM 0 H VAL A 629 -4.589 -4.693 -5.784 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.222 -5.096 -4.345 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.481 -6.571 -6.685 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.212 -8.578 -6.037 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.164 -7.257 -6.606 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.293 -7.604 -4.865 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.305 -8.121 -4.898 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.547 -7.077 -3.673 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.889 -6.457 -4.664 1.00 25.00 H new ATOM 731 N ALA A 630 -1.761 -4.155 -7.456 1.00 25.00 N ATOM 732 CA ALA A 630 -0.791 -3.639 -8.419 1.00 25.00 C ATOM 733 C ALA A 630 -0.286 -2.245 -8.017 1.00 25.00 C ATOM 734 O ALA A 630 0.760 -1.795 -8.492 1.00 25.00 O ATOM 735 CB ALA A 630 -1.420 -3.620 -9.802 1.00 25.00 C ATOM 0 H ALA A 630 -2.731 -4.064 -7.759 1.00 25.00 H new ATOM 0 HA ALA A 630 0.078 -4.297 -8.431 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.700 -3.236 -10.524 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.711 -4.632 -10.083 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.301 -2.979 -9.792 1.00 25.00 H new ATOM 741 N TYR A 631 -1.050 -1.574 -7.138 1.00 25.00 N ATOM 742 CA TYR A 631 -0.639 -0.300 -6.530 1.00 25.00 C ATOM 743 C TYR A 631 0.412 -0.535 -5.429 1.00 25.00 C ATOM 744 O TYR A 631 1.343 0.260 -5.275 1.00 25.00 O ATOM 745 CB TYR A 631 -1.886 0.439 -5.975 1.00 25.00 C ATOM 746 CG TYR A 631 -2.846 0.996 -7.023 1.00 25.00 C ATOM 747 CD1 TYR A 631 -4.094 1.497 -6.650 1.00 25.00 C ATOM 748 CD2 TYR A 631 -2.497 1.046 -8.372 1.00 25.00 C ATOM 749 CE1 TYR A 631 -4.959 2.025 -7.590 1.00 25.00 C ATOM 750 CE2 TYR A 631 -3.362 1.571 -9.314 1.00 25.00 C ATOM 751 CZ TYR A 631 -4.605 1.964 -8.953 1.00 25.00 C ATOM 752 OH TYR A 631 -5.449 2.586 -9.854 1.00 25.00 O ATOM 0 H TYR A 631 -1.967 -1.899 -6.831 1.00 25.00 H new ATOM 0 HA TYR A 631 -0.176 0.328 -7.292 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.437 -0.248 -5.333 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.548 1.262 -5.345 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -4.388 1.472 -5.611 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.535 0.668 -8.686 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -5.891 2.477 -7.285 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -3.044 1.668 -10.342 1.00 25.00 H new ATOM 0 HH TYR A 631 -5.097 2.475 -10.762 1.00 25.00 H new ATOM 762 N ALA A 632 0.247 -1.632 -4.677 1.00 25.00 N ATOM 763 CA ALA A 632 1.154 -1.973 -3.578 1.00 25.00 C ATOM 764 C ALA A 632 2.398 -2.709 -4.082 1.00 25.00 C ATOM 765 O ALA A 632 3.498 -2.519 -3.555 1.00 25.00 O ATOM 766 CB ALA A 632 0.440 -2.823 -2.552 1.00 25.00 C ATOM 0 H ALA A 632 -0.511 -2.300 -4.813 1.00 25.00 H new ATOM 0 HA ALA A 632 1.475 -1.039 -3.116 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.126 -3.068 -1.742 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.411 -2.272 -2.152 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.089 -3.742 -3.021 1.00 25.00 H new ATOM 772 N LYS A 633 2.205 -3.560 -5.104 1.00 25.00 N ATOM 773 CA LYS A 633 3.295 -4.308 -5.745 1.00 25.00 C ATOM 774 C LYS A 633 4.246 -3.365 -6.507 1.00 25.00 C ATOM 775 O LYS A 633 5.394 -3.718 -6.794 1.00 25.00 O ATOM 776 CB LYS A 633 2.692 -5.336 -6.718 1.00 25.00 C ATOM 777 CG LYS A 633 2.354 -6.698 -6.110 1.00 25.00 C ATOM 778 CD LYS A 633 1.733 -7.649 -7.127 1.00 25.00 C ATOM 779 CE LYS A 633 1.472 -9.034 -6.544 1.00 25.00 C ATOM 780 NZ LYS A 633 0.490 -9.814 -7.351 1.00 25.00 N ATOM 0 H LYS A 633 1.287 -3.747 -5.508 1.00 25.00 H new ATOM 0 HA LYS A 633 3.873 -4.815 -4.972 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.784 -4.914 -7.148 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.393 -5.488 -7.539 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.260 -7.146 -5.703 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.665 -6.560 -5.277 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.795 -7.228 -7.489 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.395 -7.739 -7.988 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.411 -9.585 -6.488 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.101 -8.932 -5.524 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.346 -10.747 -6.915 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.416 -9.304 -7.384 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 0.854 -9.936 -8.318 1.00 25.00 H new ATOM 794 N LYS A 634 3.736 -2.163 -6.819 1.00 25.00 N ATOM 795 CA LYS A 634 4.474 -1.139 -7.564 1.00 25.00 C ATOM 796 C LYS A 634 5.345 -0.272 -6.633 1.00 25.00 C ATOM 797 O LYS A 634 6.451 0.124 -7.014 1.00 25.00 O ATOM 798 CB LYS A 634 3.465 -0.264 -8.339 1.00 25.00 C ATOM 799 CG LYS A 634 4.088 0.812 -9.240 1.00 25.00 C ATOM 800 CD LYS A 634 3.058 1.812 -9.784 1.00 25.00 C ATOM 801 CE LYS A 634 3.656 2.830 -10.767 1.00 25.00 C ATOM 802 NZ LYS A 634 4.654 3.729 -10.120 1.00 25.00 N ATOM 0 H LYS A 634 2.793 -1.876 -6.558 1.00 25.00 H new ATOM 0 HA LYS A 634 5.151 -1.631 -8.262 1.00 25.00 H new ATOM 0 HB2 LYS A 634 2.842 -0.914 -8.954 1.00 25.00 H new ATOM 0 HB3 LYS A 634 2.805 0.224 -7.621 1.00 25.00 H new ATOM 0 HG2 LYS A 634 4.849 1.353 -8.677 1.00 25.00 H new ATOM 0 HG3 LYS A 634 4.594 0.329 -10.076 1.00 25.00 H new ATOM 0 HD2 LYS A 634 2.258 1.264 -10.282 1.00 25.00 H new ATOM 0 HD3 LYS A 634 2.606 2.347 -8.949 1.00 25.00 H new ATOM 0 HE2 LYS A 634 4.131 2.298 -11.591 1.00 25.00 H new ATOM 0 HE3 LYS A 634 2.854 3.431 -11.195 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 5.028 4.397 -10.824 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 4.197 4.258 -9.350 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 5.434 3.160 -9.734 1.00 25.00 H new ATOM 816 N VAL A 635 4.843 0.012 -5.419 1.00 25.00 N ATOM 817 CA VAL A 635 5.504 0.957 -4.501 1.00 25.00 C ATOM 818 C VAL A 635 6.787 0.378 -3.875 1.00 25.00 C ATOM 819 O VAL A 635 7.817 1.050 -3.851 1.00 25.00 O ATOM 820 CB VAL A 635 4.542 1.486 -3.384 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.330 2.093 -2.231 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.516 2.495 -3.905 1.00 25.00 C ATOM 0 H VAL A 635 3.984 -0.398 -5.051 1.00 25.00 H new ATOM 0 HA VAL A 635 5.791 1.806 -5.122 1.00 25.00 H new ATOM 0 HB VAL A 635 3.986 0.619 -3.027 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.640 2.453 -1.468 1.00 25.00 H new ATOM 0 HG12 VAL A 635 5.985 1.336 -1.799 1.00 25.00 H new ATOM 0 HG13 VAL A 635 5.930 2.925 -2.599 1.00 25.00 H new ATOM 0 HG21 VAL A 635 2.879 2.824 -3.084 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.034 3.355 -4.329 1.00 25.00 H new ATOM 0 HG23 VAL A 635 2.902 2.026 -4.674 1.00 25.00 H new ATOM 832 N GLU A 636 6.716 -0.883 -3.411 1.00 25.00 N ATOM 833 CA GLU A 636 7.839 -1.566 -2.733 1.00 25.00 C ATOM 834 C GLU A 636 9.108 -1.608 -3.616 1.00 25.00 C ATOM 835 O GLU A 636 10.229 -1.604 -3.096 1.00 25.00 O ATOM 836 CB GLU A 636 7.398 -2.988 -2.355 1.00 25.00 C ATOM 837 CG GLU A 636 8.435 -3.787 -1.566 1.00 25.00 C ATOM 838 CD GLU A 636 9.406 -4.557 -2.446 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.073 -4.805 -3.623 1.00 25.00 O ATOM 840 OE2 GLU A 636 10.497 -4.914 -1.954 1.00 25.00 O ATOM 0 H GLU A 636 5.879 -1.460 -3.494 1.00 25.00 H new ATOM 0 HA GLU A 636 8.098 -1.004 -1.836 1.00 25.00 H new ATOM 0 HB2 GLU A 636 6.482 -2.926 -1.767 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.155 -3.533 -3.267 1.00 25.00 H new ATOM 0 HG2 GLU A 636 8.998 -3.106 -0.928 1.00 25.00 H new ATOM 0 HG3 GLU A 636 7.919 -4.487 -0.909 1.00 25.00 H new ATOM 847 N GLY A 637 8.913 -1.633 -4.949 1.00 25.00 N ATOM 848 CA GLY A 637 10.032 -1.661 -5.896 1.00 25.00 C ATOM 849 C GLY A 637 10.788 -0.338 -5.983 1.00 25.00 C ATOM 850 O GLY A 637 11.967 -0.317 -6.347 1.00 25.00 O ATOM 0 H GLY A 637 7.992 -1.634 -5.388 1.00 25.00 H new ATOM 0 HA2 GLY A 637 10.726 -2.449 -5.603 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.654 -1.921 -6.885 1.00 25.00 H new ATOM 854 N ASP A 638 10.098 0.763 -5.649 1.00 25.00 N ATOM 855 CA ASP A 638 10.709 2.100 -5.601 1.00 25.00 C ATOM 856 C ASP A 638 11.389 2.348 -4.249 1.00 25.00 C ATOM 857 O ASP A 638 12.241 3.231 -4.132 1.00 25.00 O ATOM 858 CB ASP A 638 9.653 3.183 -5.860 1.00 25.00 C ATOM 859 CG ASP A 638 9.190 3.221 -7.306 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.899 2.665 -8.171 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.118 3.805 -7.571 1.00 25.00 O ATOM 0 H ASP A 638 9.107 0.752 -5.406 1.00 25.00 H new ATOM 0 HA ASP A 638 11.467 2.148 -6.382 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.794 3.008 -5.213 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.063 4.156 -5.589 1.00 25.00 H new ATOM 866 N MET A 639 11.002 1.552 -3.236 1.00 25.00 N ATOM 867 CA MET A 639 11.578 1.642 -1.885 1.00 25.00 C ATOM 868 C MET A 639 13.016 1.115 -1.835 1.00 25.00 C ATOM 869 O MET A 639 13.852 1.647 -1.103 1.00 25.00 O ATOM 870 CB MET A 639 10.719 0.859 -0.894 1.00 25.00 C ATOM 871 CG MET A 639 9.320 1.412 -0.728 1.00 25.00 C ATOM 872 SD MET A 639 8.399 0.648 0.614 1.00 25.00 S ATOM 873 CE MET A 639 9.349 -0.844 0.814 1.00 25.00 C ATOM 0 H MET A 639 10.285 0.833 -3.331 1.00 25.00 H new ATOM 0 HA MET A 639 11.596 2.697 -1.613 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.653 -0.178 -1.225 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.215 0.853 0.077 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.381 2.486 -0.550 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.771 1.274 -1.659 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.805 -1.539 1.454 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.515 -1.303 -0.161 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.309 -0.605 1.271 1.00 25.00 H new ATOM 883 N TYR A 640 13.288 0.064 -2.624 1.00 25.00 N ATOM 884 CA TYR A 640 14.625 -0.541 -2.709 1.00 25.00 C ATOM 885 C TYR A 640 15.568 0.338 -3.547 1.00 25.00 C ATOM 886 O TYR A 640 16.791 0.286 -3.386 1.00 25.00 O ATOM 887 CB TYR A 640 14.513 -1.950 -3.320 1.00 25.00 C ATOM 888 CG TYR A 640 15.092 -2.088 -4.719 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.466 -2.077 -4.934 1.00 25.00 C ATOM 890 CD2 TYR A 640 14.258 -2.218 -5.825 1.00 25.00 C ATOM 891 CE1 TYR A 640 16.990 -2.196 -6.206 1.00 25.00 C ATOM 892 CE2 TYR A 640 14.775 -2.338 -7.102 1.00 25.00 C ATOM 893 CZ TYR A 640 16.161 -2.348 -7.275 1.00 25.00 C ATOM 894 OH TYR A 640 16.660 -2.446 -8.552 1.00 25.00 O ATOM 0 H TYR A 640 12.592 -0.387 -3.217 1.00 25.00 H new ATOM 0 HA TYR A 640 15.044 -0.618 -1.706 1.00 25.00 H new ATOM 0 HB2 TYR A 640 15.018 -2.657 -2.662 1.00 25.00 H new ATOM 0 HB3 TYR A 640 13.462 -2.236 -3.348 1.00 25.00 H new ATOM 0 HD1 TYR A 640 17.134 -1.974 -4.092 1.00 25.00 H new ATOM 0 HD2 TYR A 640 13.187 -2.225 -5.684 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.060 -2.168 -6.353 1.00 25.00 H new ATOM 0 HE2 TYR A 640 14.116 -2.423 -7.954 1.00 25.00 H new ATOM 0 HH TYR A 640 15.920 -2.551 -9.185 1.00 25.00 H new ATOM 904 N GLU A 641 14.971 1.144 -4.437 1.00 25.00 N ATOM 905 CA GLU A 641 15.681 2.056 -5.302 1.00 25.00 C ATOM 906 C GLU A 641 15.882 3.432 -4.617 1.00 25.00 C ATOM 907 O GLU A 641 16.837 4.149 -4.931 1.00 25.00 O ATOM 908 CB GLU A 641 14.874 2.141 -6.614 1.00 25.00 C ATOM 909 CG GLU A 641 14.959 0.925 -7.484 1.00 25.00 C ATOM 910 CD GLU A 641 14.443 1.156 -8.892 1.00 25.00 C ATOM 911 OE1 GLU A 641 14.028 2.297 -9.192 1.00 25.00 O ATOM 912 OE2 GLU A 641 14.453 0.199 -9.694 1.00 25.00 O ATOM 0 H GLU A 641 13.960 1.169 -4.567 1.00 25.00 H new ATOM 0 HA GLU A 641 16.689 1.702 -5.519 1.00 25.00 H new ATOM 0 HB2 GLU A 641 13.828 2.323 -6.369 1.00 25.00 H new ATOM 0 HB3 GLU A 641 15.223 3.003 -7.183 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.997 0.595 -7.535 1.00 25.00 H new ATOM 0 HG3 GLU A 641 14.390 0.117 -7.024 1.00 25.00 H new ATOM 919 N SER A 642 14.983 3.779 -3.680 1.00 25.00 N ATOM 920 CA SER A 642 15.022 5.079 -2.997 1.00 25.00 C ATOM 921 C SER A 642 15.740 4.998 -1.641 1.00 25.00 C ATOM 922 O SER A 642 16.514 5.896 -1.296 1.00 25.00 O ATOM 923 CB SER A 642 13.596 5.619 -2.807 1.00 25.00 C ATOM 924 OG SER A 642 12.811 4.749 -2.005 1.00 25.00 O ATOM 0 H SER A 642 14.219 3.174 -3.379 1.00 25.00 H new ATOM 0 HA SER A 642 15.590 5.762 -3.628 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.638 6.604 -2.343 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.121 5.745 -3.780 1.00 25.00 H new ATOM 0 HG SER A 642 12.266 4.175 -2.582 1.00 25.00 H new ATOM 930 N ALA A 643 15.479 3.923 -0.882 1.00 25.00 N ATOM 931 CA ALA A 643 16.048 3.757 0.461 1.00 25.00 C ATOM 932 C ALA A 643 17.422 3.082 0.415 1.00 25.00 C ATOM 933 O ALA A 643 17.645 2.160 -0.376 1.00 25.00 O ATOM 934 CB ALA A 643 15.098 2.960 1.344 1.00 25.00 C ATOM 0 H ALA A 643 14.876 3.155 -1.178 1.00 25.00 H new ATOM 0 HA ALA A 643 16.182 4.751 0.887 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.534 2.845 2.336 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.147 3.487 1.424 1.00 25.00 H new ATOM 0 HB3 ALA A 643 14.932 1.976 0.905 1.00 25.00 H new ATOM 940 N ASN A 644 18.333 3.558 1.272 1.00 25.00 N ATOM 941 CA ASN A 644 19.694 3.017 1.358 1.00 25.00 C ATOM 942 C ASN A 644 19.899 2.243 2.675 1.00 25.00 C ATOM 943 O ASN A 644 20.933 1.594 2.866 1.00 25.00 O ATOM 944 CB ASN A 644 20.714 4.167 1.248 1.00 25.00 C ATOM 945 CG ASN A 644 20.699 4.865 -0.106 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.164 4.318 -1.105 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.176 6.087 -0.136 1.00 25.00 N ATOM 0 H ASN A 644 18.149 4.323 1.921 1.00 25.00 H new ATOM 0 HA ASN A 644 19.845 2.320 0.534 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.509 4.900 2.028 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.714 3.775 1.435 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.149 6.609 -1.012 1.00 25.00 H new ATOM 0 HD22 ASN A 644 19.801 6.502 0.717 1.00 25.00 H new ATOM 954 N SER A 645 18.896 2.296 3.561 1.00 25.00 N ATOM 955 CA SER A 645 18.999 1.698 4.893 1.00 25.00 C ATOM 956 C SER A 645 17.764 0.844 5.197 1.00 25.00 C ATOM 957 O SER A 645 16.699 1.038 4.605 1.00 25.00 O ATOM 958 CB SER A 645 19.151 2.806 5.947 1.00 25.00 C ATOM 959 OG SER A 645 20.374 3.511 5.787 1.00 25.00 O ATOM 0 H SER A 645 18.001 2.750 3.376 1.00 25.00 H new ATOM 0 HA SER A 645 19.877 1.052 4.922 1.00 25.00 H new ATOM 0 HB2 SER A 645 18.316 3.502 5.868 1.00 25.00 H new ATOM 0 HB3 SER A 645 19.109 2.369 6.945 1.00 25.00 H new ATOM 0 HG SER A 645 20.441 4.210 6.471 1.00 25.00 H new ATOM 965 N ARG A 646 17.931 -0.103 6.137 1.00 25.00 N ATOM 966 CA ARG A 646 16.878 -1.061 6.514 1.00 25.00 C ATOM 967 C ARG A 646 15.748 -0.387 7.318 1.00 25.00 C ATOM 968 O ARG A 646 14.597 -0.831 7.258 1.00 25.00 O ATOM 969 CB ARG A 646 17.513 -2.223 7.320 1.00 25.00 C ATOM 970 CG ARG A 646 16.576 -3.386 7.687 1.00 25.00 C ATOM 971 CD ARG A 646 17.218 -4.390 8.641 1.00 25.00 C ATOM 972 NE ARG A 646 17.451 -3.804 9.966 1.00 25.00 N ATOM 973 CZ ARG A 646 16.526 -3.696 10.931 1.00 25.00 C ATOM 974 NH1 ARG A 646 15.283 -4.136 10.750 1.00 25.00 N ATOM 975 NH2 ARG A 646 16.856 -3.141 12.090 1.00 25.00 N ATOM 0 H ARG A 646 18.800 -0.225 6.657 1.00 25.00 H new ATOM 0 HA ARG A 646 16.424 -1.453 5.604 1.00 25.00 H new ATOM 0 HB2 ARG A 646 18.347 -2.624 6.744 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.929 -1.814 8.241 1.00 25.00 H new ATOM 0 HG2 ARG A 646 15.671 -2.986 8.144 1.00 25.00 H new ATOM 0 HG3 ARG A 646 16.272 -3.902 6.776 1.00 25.00 H new ATOM 0 HD2 ARG A 646 16.574 -5.264 8.737 1.00 25.00 H new ATOM 0 HD3 ARG A 646 18.164 -4.735 8.224 1.00 25.00 H new ATOM 0 HE ARG A 646 18.387 -3.452 10.168 1.00 25.00 H new ATOM 0 HH11 ARG A 646 15.018 -4.566 9.864 1.00 25.00 H new ATOM 0 HH12 ARG A 646 14.595 -4.044 11.498 1.00 25.00 H new ATOM 0 HH21 ARG A 646 17.806 -2.801 12.241 1.00 25.00 H new ATOM 0 HH22 ARG A 646 16.160 -3.054 12.830 1.00 25.00 H new ATOM 989 N ASP A 647 16.090 0.669 8.070 1.00 25.00 N ATOM 990 CA ASP A 647 15.108 1.416 8.868 1.00 25.00 C ATOM 991 C ASP A 647 14.342 2.433 8.003 1.00 25.00 C ATOM 992 O ASP A 647 13.228 2.829 8.354 1.00 25.00 O ATOM 993 CB ASP A 647 15.813 2.117 10.042 1.00 25.00 C ATOM 994 CG ASP A 647 16.274 1.155 11.126 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.802 -0.002 11.135 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.109 1.559 11.964 1.00 25.00 O ATOM 0 H ASP A 647 17.043 1.026 8.142 1.00 25.00 H new ATOM 0 HA ASP A 647 14.378 0.710 9.265 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.674 2.667 9.664 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.134 2.849 10.480 1.00 25.00 H new ATOM 1001 N GLU A 648 14.949 2.846 6.879 1.00 25.00 N ATOM 1002 CA GLU A 648 14.311 3.764 5.927 1.00 25.00 C ATOM 1003 C GLU A 648 13.453 2.977 4.926 1.00 25.00 C ATOM 1004 O GLU A 648 12.351 3.399 4.578 1.00 25.00 O ATOM 1005 CB GLU A 648 15.389 4.606 5.205 1.00 25.00 C ATOM 1006 CG GLU A 648 16.198 5.539 6.110 1.00 25.00 C ATOM 1007 CD GLU A 648 15.333 6.582 6.795 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.449 7.155 6.123 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.539 6.826 8.003 1.00 25.00 O ATOM 0 H GLU A 648 15.888 2.555 6.608 1.00 25.00 H new ATOM 0 HA GLU A 648 13.654 4.445 6.467 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.077 3.929 4.699 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.904 5.204 4.433 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.715 4.948 6.866 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.964 6.040 5.518 1.00 25.00 H new ATOM 1016 N TYR A 649 13.971 1.820 4.488 1.00 25.00 N ATOM 1017 CA TYR A 649 13.264 0.918 3.567 1.00 25.00 C ATOM 1018 C TYR A 649 11.896 0.491 4.139 1.00 25.00 C ATOM 1019 O TYR A 649 10.872 0.600 3.460 1.00 25.00 O ATOM 1020 CB TYR A 649 14.178 -0.300 3.274 1.00 25.00 C ATOM 1021 CG TYR A 649 13.574 -1.389 2.402 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.361 -1.198 1.038 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.219 -2.610 2.957 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.808 -2.202 0.261 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.669 -3.611 2.191 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.469 -3.407 0.840 1.00 25.00 C ATOM 1027 OH TYR A 649 11.908 -4.481 0.179 1.00 25.00 O ATOM 0 H TYR A 649 14.894 1.483 4.763 1.00 25.00 H new ATOM 0 HA TYR A 649 13.052 1.437 2.632 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.088 0.060 2.794 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.474 -0.745 4.224 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.630 -0.257 0.582 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.378 -2.778 4.012 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.643 -2.042 -0.794 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.395 -4.552 2.644 1.00 25.00 H new ATOM 0 HH TYR A 649 11.387 -4.159 -0.586 1.00 25.00 H new ATOM 1037 N TYR A 650 11.905 0.008 5.388 1.00 25.00 N ATOM 1038 CA TYR A 650 10.688 -0.426 6.076 1.00 25.00 C ATOM 1039 C TYR A 650 9.813 0.745 6.570 1.00 25.00 C ATOM 1040 O TYR A 650 8.637 0.541 6.889 1.00 25.00 O ATOM 1041 CB TYR A 650 11.051 -1.338 7.258 1.00 25.00 C ATOM 1042 CG TYR A 650 11.743 -2.631 6.847 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.856 -3.108 7.535 1.00 25.00 C ATOM 1044 CD2 TYR A 650 11.271 -3.381 5.775 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.475 -4.280 7.171 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.890 -4.560 5.403 1.00 25.00 C ATOM 1047 CZ TYR A 650 13.024 -4.983 6.086 1.00 25.00 C ATOM 1048 OH TYR A 650 13.607 -6.179 5.737 1.00 25.00 O ATOM 0 H TYR A 650 12.753 -0.092 5.946 1.00 25.00 H new ATOM 0 HA TYR A 650 10.095 -0.973 5.343 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.700 -0.791 7.941 1.00 25.00 H new ATOM 0 HB3 TYR A 650 10.143 -1.582 7.809 1.00 25.00 H new ATOM 0 HD1 TYR A 650 13.241 -2.545 8.372 1.00 25.00 H new ATOM 0 HD2 TYR A 650 10.408 -3.037 5.225 1.00 25.00 H new ATOM 0 HE1 TYR A 650 14.317 -4.646 7.740 1.00 25.00 H new ATOM 0 HE2 TYR A 650 11.495 -5.148 4.588 1.00 25.00 H new ATOM 0 HH TYR A 650 13.953 -6.621 6.540 1.00 25.00 H new ATOM 1058 N HIS A 651 10.382 1.961 6.626 1.00 25.00 N ATOM 1059 CA HIS A 651 9.653 3.144 7.115 1.00 25.00 C ATOM 1060 C HIS A 651 8.764 3.744 6.021 1.00 25.00 C ATOM 1061 O HIS A 651 7.595 4.030 6.267 1.00 25.00 O ATOM 1062 CB HIS A 651 10.641 4.200 7.646 1.00 25.00 C ATOM 1063 CG HIS A 651 10.012 5.523 8.000 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.161 5.686 9.072 1.00 25.00 N ATOM 1065 CD2 HIS A 651 10.104 6.741 7.407 1.00 25.00 C ATOM 1066 CE1 HIS A 651 8.756 6.944 9.125 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.314 7.602 8.125 1.00 25.00 N ATOM 0 H HIS A 651 11.342 2.151 6.339 1.00 25.00 H new ATOM 0 HA HIS A 651 9.006 2.825 7.932 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.139 3.801 8.530 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.412 4.368 6.894 1.00 25.00 H new ATOM 0 HD2 HIS A 651 10.690 6.986 6.533 1.00 25.00 H new ATOM 0 HE1 HIS A 651 8.084 7.362 9.860 1.00 25.00 H new ATOM 0 HE2 HIS A 651 9.179 8.592 7.920 1.00 25.00 H new ATOM 1076 N LEU A 652 9.330 3.908 4.816 1.00 25.00 N ATOM 1077 CA LEU A 652 8.620 4.464 3.647 1.00 25.00 C ATOM 1078 C LEU A 652 7.286 3.758 3.367 1.00 25.00 C ATOM 1079 O LEU A 652 6.296 4.405 3.021 1.00 25.00 O ATOM 1080 CB LEU A 652 9.532 4.358 2.428 1.00 25.00 C ATOM 1081 CG LEU A 652 10.775 5.271 2.376 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.650 5.035 1.149 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.313 6.712 2.399 1.00 25.00 C ATOM 0 H LEU A 652 10.299 3.658 4.621 1.00 25.00 H new ATOM 0 HA LEU A 652 8.379 5.505 3.865 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.872 3.325 2.353 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.931 4.560 1.542 1.00 25.00 H new ATOM 0 HG LEU A 652 11.392 5.035 3.243 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.505 5.710 1.177 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.002 4.003 1.146 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.069 5.223 0.246 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.179 7.372 2.363 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.675 6.903 1.536 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.752 6.900 3.314 1.00 25.00 H new ATOM 1095 N LEU A 653 7.281 2.428 3.530 1.00 25.00 N ATOM 1096 CA LEU A 653 6.064 1.608 3.384 1.00 25.00 C ATOM 1097 C LEU A 653 5.102 1.805 4.559 1.00 25.00 C ATOM 1098 O LEU A 653 3.884 1.845 4.369 1.00 25.00 O ATOM 1099 CB LEU A 653 6.420 0.121 3.269 1.00 25.00 C ATOM 1100 CG LEU A 653 5.242 -0.839 3.083 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.352 -1.529 1.745 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.185 -1.874 4.196 1.00 25.00 C ATOM 0 H LEU A 653 8.115 1.890 3.766 1.00 25.00 H new ATOM 0 HA LEU A 653 5.569 1.937 2.471 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.102 -0.005 2.428 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.964 -0.172 4.167 1.00 25.00 H new ATOM 0 HG LEU A 653 4.322 -0.255 3.121 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.512 -2.211 1.617 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.339 -0.784 0.949 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.285 -2.091 1.701 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.337 -2.539 4.032 1.00 25.00 H new ATOM 0 HD22 LEU A 653 6.107 -2.456 4.199 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.071 -1.370 5.156 1.00 25.00 H new ATOM 1114 N ALA A 654 5.664 1.930 5.777 1.00 25.00 N ATOM 1115 CA ALA A 654 4.878 2.213 6.987 1.00 25.00 C ATOM 1116 C ALA A 654 4.302 3.632 6.955 1.00 25.00 C ATOM 1117 O ALA A 654 3.285 3.914 7.595 1.00 25.00 O ATOM 1118 CB ALA A 654 5.733 2.020 8.231 1.00 25.00 C ATOM 0 H ALA A 654 6.666 1.838 5.946 1.00 25.00 H new ATOM 0 HA ALA A 654 4.045 1.511 7.017 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.137 2.233 9.119 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.089 0.991 8.272 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.586 2.698 8.195 1.00 25.00 H new ATOM 1124 N GLU A 655 4.972 4.515 6.197 1.00 25.00 N ATOM 1125 CA GLU A 655 4.510 5.896 5.994 1.00 25.00 C ATOM 1126 C GLU A 655 3.316 5.955 5.042 1.00 25.00 C ATOM 1127 O GLU A 655 2.371 6.706 5.291 1.00 25.00 O ATOM 1128 CB GLU A 655 5.641 6.793 5.459 1.00 25.00 C ATOM 1129 CG GLU A 655 5.256 8.256 5.284 1.00 25.00 C ATOM 1130 CD GLU A 655 6.401 9.103 4.765 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.511 8.559 4.586 1.00 25.00 O ATOM 1132 OE2 GLU A 655 6.188 10.313 4.536 1.00 25.00 O ATOM 0 H GLU A 655 5.842 4.294 5.712 1.00 25.00 H new ATOM 0 HA GLU A 655 4.197 6.269 6.969 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.489 6.732 6.141 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.975 6.401 4.499 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.415 8.326 4.594 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.918 8.656 6.240 1.00 25.00 H new ATOM 1139 N LYS A 656 3.352 5.151 3.962 1.00 25.00 N ATOM 1140 CA LYS A 656 2.205 5.040 3.039 1.00 25.00 C ATOM 1141 C LYS A 656 1.041 4.341 3.742 1.00 25.00 C ATOM 1142 O LYS A 656 -0.120 4.559 3.408 1.00 25.00 O ATOM 1143 CB LYS A 656 2.549 4.252 1.758 1.00 25.00 C ATOM 1144 CG LYS A 656 3.504 4.948 0.769 1.00 25.00 C ATOM 1145 CD LYS A 656 3.134 4.729 -0.704 1.00 25.00 C ATOM 1146 CE LYS A 656 3.897 5.655 -1.645 1.00 25.00 C ATOM 1147 NZ LYS A 656 5.355 5.354 -1.654 1.00 25.00 N ATOM 0 H LYS A 656 4.154 4.574 3.708 1.00 25.00 H new ATOM 0 HA LYS A 656 1.934 6.055 2.749 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.992 3.300 2.050 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.620 4.025 1.235 1.00 25.00 H new ATOM 0 HG2 LYS A 656 3.512 6.018 0.977 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.517 4.583 0.938 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.338 3.693 -0.976 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.063 4.888 -0.833 1.00 25.00 H new ATOM 0 HE2 LYS A 656 3.499 5.555 -2.655 1.00 25.00 H new ATOM 0 HE3 LYS A 656 3.741 6.690 -1.342 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 5.886 6.199 -1.361 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 5.553 4.575 -0.994 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 5.647 5.078 -2.613 1.00 25.00 H new ATOM 1161 N ILE A 657 1.382 3.531 4.758 1.00 25.00 N ATOM 1162 CA ILE A 657 0.397 2.777 5.541 1.00 25.00 C ATOM 1163 C ILE A 657 -0.425 3.735 6.429 1.00 25.00 C ATOM 1164 O ILE A 657 -1.603 3.490 6.691 1.00 25.00 O ATOM 1165 CB ILE A 657 1.123 1.650 6.376 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.233 0.364 5.511 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.447 1.363 7.732 1.00 25.00 C ATOM 1168 CD1 ILE A 657 2.097 -0.761 6.088 1.00 25.00 C ATOM 0 H ILE A 657 2.346 3.383 5.057 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.306 2.282 4.871 1.00 25.00 H new ATOM 0 HB ILE A 657 2.121 2.012 6.625 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.229 -0.025 5.345 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.634 0.639 4.535 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.996 0.579 8.254 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.446 2.270 8.337 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.580 1.037 7.565 1.00 25.00 H new ATOM 0 HD11 ILE A 657 2.101 -1.606 5.400 1.00 25.00 H new ATOM 0 HD12 ILE A 657 3.117 -0.402 6.227 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.690 -1.077 7.048 1.00 25.00 H new ATOM 1180 N TYR A 658 0.218 4.821 6.871 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.429 5.823 7.715 1.00 25.00 C ATOM 1182 C TYR A 658 -1.186 6.863 6.867 1.00 25.00 C ATOM 1183 O TYR A 658 -2.229 7.370 7.288 1.00 25.00 O ATOM 1184 CB TYR A 658 0.625 6.513 8.595 1.00 25.00 C ATOM 1185 CG TYR A 658 1.258 5.614 9.647 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.637 5.579 9.828 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.472 4.804 10.461 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.212 4.765 10.786 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.041 3.988 11.421 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.421 3.968 11.570 1.00 25.00 C ATOM 1191 OH TYR A 658 2.980 3.161 12.532 1.00 25.00 O ATOM 0 H TYR A 658 1.193 5.026 6.654 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.159 5.321 8.351 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.412 6.909 7.953 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.162 7.364 9.094 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.269 6.199 9.209 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.601 4.813 10.341 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.284 4.758 10.916 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.417 3.371 12.050 1.00 25.00 H new ATOM 0 HH TYR A 658 2.272 2.665 12.995 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.649 7.164 5.671 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.217 8.194 4.774 1.00 25.00 C ATOM 1203 C LYS A 659 -2.498 7.725 4.079 1.00 25.00 C ATOM 1204 O LYS A 659 -3.395 8.533 3.817 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.194 8.629 3.713 1.00 25.00 C ATOM 1206 CG LYS A 659 -0.641 9.784 2.809 1.00 25.00 C ATOM 1207 CD LYS A 659 0.441 10.263 1.824 1.00 25.00 C ATOM 1208 CE LYS A 659 -0.062 11.313 0.841 1.00 25.00 C ATOM 1209 NZ LYS A 659 0.994 11.786 -0.102 1.00 25.00 N ATOM 0 H LYS A 659 0.183 6.707 5.299 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.468 9.043 5.409 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.727 8.920 4.218 1.00 25.00 H new ATOM 0 HB3 LYS A 659 0.043 7.769 3.086 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -1.519 9.471 2.244 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -0.946 10.623 3.434 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.279 10.674 2.387 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.821 9.406 1.267 1.00 25.00 H new ATOM 0 HE2 LYS A 659 -0.892 10.898 0.269 1.00 25.00 H new ATOM 0 HE3 LYS A 659 -0.452 12.165 1.397 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 0.592 12.498 -0.745 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 1.777 12.209 0.437 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 1.350 10.981 -0.656 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.575 6.422 3.782 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.777 5.823 3.176 1.00 25.00 C ATOM 1225 C ILE A 660 -4.878 5.661 4.246 1.00 25.00 C ATOM 1226 O ILE A 660 -6.071 5.684 3.938 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.457 4.449 2.501 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.493 4.638 1.310 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.745 3.766 2.032 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -1.963 3.341 0.713 1.00 25.00 C ATOM 0 H ILE A 660 -1.819 5.759 3.951 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.134 6.493 2.394 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.974 3.812 3.242 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.006 5.199 0.529 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.648 5.245 1.636 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.502 2.812 1.565 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.399 3.595 2.887 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.253 4.404 1.309 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.294 3.569 -0.117 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.418 2.785 1.476 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.797 2.739 0.352 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.444 5.490 5.497 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.340 5.473 6.661 1.00 25.00 C ATOM 1244 C GLN A 661 -5.943 6.859 6.948 1.00 25.00 C ATOM 1245 O GLN A 661 -6.971 6.964 7.626 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.582 4.968 7.894 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.409 3.446 7.951 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.474 2.937 9.051 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.920 3.732 9.809 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.302 1.619 9.166 1.00 25.00 N ATOM 0 H GLN A 661 -3.461 5.359 5.734 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.165 4.798 6.431 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.597 5.435 7.916 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.110 5.295 8.790 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.389 2.990 8.090 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -4.031 3.103 6.988 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.775 0.985 8.522 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.697 1.246 9.898 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.295 7.915 6.422 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.769 9.298 6.584 1.00 25.00 C ATOM 1261 C LYS A 662 -6.972 9.601 5.680 1.00 25.00 C ATOM 1262 O LYS A 662 -7.912 10.280 6.100 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.649 10.308 6.284 1.00 25.00 C ATOM 1264 CG LYS A 662 -3.568 10.465 7.372 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.082 11.049 8.694 1.00 25.00 C ATOM 1266 CE LYS A 662 -3.000 11.132 9.746 1.00 25.00 C ATOM 1267 NZ LYS A 662 -2.699 9.807 10.356 1.00 25.00 N ATOM 0 H LYS A 662 -4.436 7.833 5.878 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.079 9.398 7.624 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -4.161 10.013 5.355 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -5.104 11.283 6.109 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -3.122 9.490 7.568 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -2.774 11.107 6.989 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -4.488 12.045 8.515 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -4.901 10.433 9.066 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -2.093 11.538 9.299 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.309 11.827 10.527 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -1.951 9.916 11.071 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -3.557 9.429 10.807 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -2.378 9.149 9.617 1.00 25.00 H new ATOM 1281 N GLU A 663 -6.927 9.091 4.437 1.00 25.00 N ATOM 1282 CA GLU A 663 -7.975 9.330 3.439 1.00 25.00 C ATOM 1283 C GLU A 663 -9.278 8.581 3.774 1.00 25.00 C ATOM 1284 O GLU A 663 -10.371 9.138 3.646 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.441 8.968 2.038 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.276 9.812 1.525 1.00 25.00 C ATOM 1287 CD GLU A 663 -5.532 9.149 0.381 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -5.834 7.975 0.076 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -4.649 9.804 -0.212 1.00 25.00 O ATOM 0 H GLU A 663 -6.164 8.504 4.100 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.232 10.389 3.451 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.130 7.924 2.049 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.263 9.048 1.326 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -6.652 10.781 1.196 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -5.582 10.001 2.344 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.139 7.313 4.197 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.267 6.513 4.722 1.00 25.00 C ATOM 1298 C LEU A 664 -10.862 7.109 6.012 1.00 25.00 C ATOM 1299 O LEU A 664 -11.990 6.779 6.389 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.832 5.051 5.005 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.409 4.156 3.807 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -8.839 2.818 4.267 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.550 3.931 2.828 1.00 25.00 C ATOM 0 H LEU A 664 -8.250 6.814 4.186 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.033 6.530 3.947 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -8.997 5.084 5.705 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.656 4.553 5.515 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.621 4.701 3.287 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.556 2.225 3.397 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -7.961 2.991 4.889 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.592 2.281 4.844 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.207 3.300 2.008 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.378 3.441 3.341 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.884 4.890 2.432 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.088 7.971 6.688 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.536 8.633 7.921 1.00 25.00 C ATOM 1317 C GLU A 665 -11.316 9.920 7.594 1.00 25.00 C ATOM 1318 O GLU A 665 -12.145 10.369 8.388 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.315 8.925 8.812 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.916 7.806 9.784 1.00 25.00 C ATOM 1321 CD GLU A 665 -7.701 8.134 10.639 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -7.164 9.254 10.503 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -7.282 7.267 11.432 1.00 25.00 O ATOM 0 H GLU A 665 -9.144 8.227 6.399 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.214 7.974 8.463 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.463 9.143 8.168 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.517 9.827 9.389 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.760 7.589 10.438 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.713 6.899 9.214 1.00 25.00 H new ATOM 1694 N SER B 536 -8.437 8.619 -5.218 1.00 25.00 N ATOM 1695 CA SER B 536 -9.712 8.648 -5.937 1.00 25.00 C ATOM 1696 C SER B 536 -10.205 7.238 -6.275 1.00 25.00 C ATOM 1697 O SER B 536 -11.402 7.031 -6.478 1.00 25.00 O ATOM 1698 CB SER B 536 -9.582 9.475 -7.210 1.00 25.00 C ATOM 1699 OG SER B 536 -8.624 8.915 -8.091 1.00 25.00 O ATOM 0 HA SER B 536 -10.449 9.110 -5.280 1.00 25.00 H new ATOM 0 HB2 SER B 536 -10.549 9.532 -7.710 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.293 10.495 -6.956 1.00 25.00 H new ATOM 0 HG SER B 536 -7.896 8.514 -7.571 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.273 6.273 -6.323 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.602 4.879 -6.655 1.00 25.00 C ATOM 1707 C ILE B 537 -10.024 4.094 -5.405 1.00 25.00 C ATOM 1708 O ILE B 537 -10.867 3.202 -5.497 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.401 4.144 -7.359 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -7.985 4.843 -8.689 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.691 2.648 -7.601 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -9.071 4.961 -9.761 1.00 25.00 C ATOM 0 H ILE B 537 -8.283 6.434 -6.135 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.439 4.914 -7.352 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.561 4.211 -6.668 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -7.628 5.845 -8.452 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -7.143 4.297 -9.114 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.833 2.185 -8.089 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.876 2.154 -6.647 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.569 2.546 -8.239 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -8.663 5.464 -10.638 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -9.416 3.966 -10.041 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -9.908 5.538 -9.369 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.448 4.436 -4.248 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.644 3.643 -3.032 1.00 25.00 C ATOM 1726 C ALA B 538 -10.956 3.949 -2.312 1.00 25.00 C ATOM 1727 O ALA B 538 -11.349 3.226 -1.392 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.461 3.807 -2.091 1.00 25.00 C ATOM 0 H ALA B 538 -8.846 5.251 -4.129 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.709 2.603 -3.351 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.625 3.211 -1.193 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.551 3.472 -2.589 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.358 4.857 -1.815 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.610 5.017 -2.732 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.942 5.368 -2.224 1.00 25.00 C ATOM 1736 C ASP B 539 -14.007 5.069 -3.293 1.00 25.00 C ATOM 1737 O ASP B 539 -15.211 5.217 -3.054 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.971 6.845 -1.781 1.00 25.00 C ATOM 1739 CG ASP B 539 -12.756 7.826 -2.924 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -12.495 7.369 -4.057 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -12.852 9.048 -2.683 1.00 25.00 O ATOM 0 H ASP B 539 -11.245 5.666 -3.429 1.00 25.00 H new ATOM 0 HA ASP B 539 -13.170 4.759 -1.349 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -13.930 7.055 -1.308 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -12.201 7.005 -1.026 1.00 25.00 H new ATOM 1746 N MET B 540 -13.532 4.634 -4.462 1.00 25.00 N ATOM 1747 CA MET B 540 -14.387 4.175 -5.554 1.00 25.00 C ATOM 1748 C MET B 540 -14.394 2.649 -5.629 1.00 25.00 C ATOM 1749 O MET B 540 -15.382 2.043 -6.053 1.00 25.00 O ATOM 1750 CB MET B 540 -13.883 4.741 -6.880 1.00 25.00 C ATOM 1751 CG MET B 540 -14.308 6.182 -7.148 1.00 25.00 C ATOM 1752 SD MET B 540 -13.693 6.836 -8.721 1.00 25.00 S ATOM 1753 CE MET B 540 -14.689 5.954 -9.927 1.00 25.00 C ATOM 0 H MET B 540 -12.536 4.591 -4.677 1.00 25.00 H new ATOM 0 HA MET B 540 -15.402 4.525 -5.365 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.794 4.687 -6.895 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.245 4.110 -7.692 1.00 25.00 H new ATOM 0 HG2 MET B 540 -15.397 6.239 -7.141 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.950 6.815 -6.336 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.470 6.331 -10.926 1.00 25.00 H new ATOM 0 HE2 MET B 540 -14.457 4.890 -9.882 1.00 25.00 H new ATOM 0 HE3 MET B 540 -15.746 6.105 -9.706 1.00 25.00 H new ATOM 1763 N ASP B 541 -13.276 2.045 -5.206 1.00 25.00 N ATOM 1764 CA ASP B 541 -13.095 0.599 -5.265 1.00 25.00 C ATOM 1765 C ASP B 541 -13.459 -0.063 -3.930 1.00 25.00 C ATOM 1766 O ASP B 541 -13.740 -1.262 -3.896 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.646 0.276 -5.646 1.00 25.00 C ATOM 1768 CG ASP B 541 -11.414 0.241 -7.146 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.086 -0.843 -7.674 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -11.558 1.301 -7.791 1.00 25.00 O ATOM 0 H ASP B 541 -12.478 2.547 -4.816 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.765 0.198 -6.025 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.986 1.020 -5.200 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -11.372 -0.689 -5.220 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.476 0.728 -2.836 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.740 0.197 -1.488 1.00 25.00 C ATOM 1777 C PHE B 542 -15.204 -0.255 -1.326 1.00 25.00 C ATOM 1778 O PHE B 542 -15.516 -1.024 -0.417 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.402 1.269 -0.439 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.378 0.784 0.990 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.356 -0.035 1.450 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.392 1.138 1.868 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.348 -0.489 2.755 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.387 0.688 3.174 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.364 -0.127 3.619 1.00 25.00 C ATOM 0 H PHE B 542 -13.310 1.734 -2.863 1.00 25.00 H new ATOM 0 HA PHE B 542 -13.108 -0.679 -1.341 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.427 1.694 -0.678 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -14.130 2.076 -0.520 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.558 -0.321 0.780 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.196 1.773 1.526 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.548 -1.127 3.100 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.182 0.973 3.847 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.358 -0.480 4.640 1.00 25.00 H new ATOM 1795 N SER B 543 -16.080 0.216 -2.231 1.00 25.00 N ATOM 1796 CA SER B 543 -17.521 -0.070 -2.169 1.00 25.00 C ATOM 1797 C SER B 543 -17.863 -1.449 -2.751 1.00 25.00 C ATOM 1798 O SER B 543 -18.715 -2.161 -2.211 1.00 25.00 O ATOM 1799 CB SER B 543 -18.300 1.025 -2.906 1.00 25.00 C ATOM 1800 OG SER B 543 -18.020 1.016 -4.298 1.00 25.00 O ATOM 0 H SER B 543 -15.809 0.802 -3.021 1.00 25.00 H new ATOM 0 HA SER B 543 -17.811 -0.083 -1.118 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.369 0.882 -2.748 1.00 25.00 H new ATOM 0 HB3 SER B 543 -18.044 1.999 -2.489 1.00 25.00 H new ATOM 0 HG SER B 543 -18.533 1.725 -4.739 1.00 25.00 H new ATOM 1806 N ALA B 544 -17.201 -1.808 -3.854 1.00 25.00 N ATOM 1807 CA ALA B 544 -17.372 -3.126 -4.482 1.00 25.00 C ATOM 1808 C ALA B 544 -16.467 -4.178 -3.827 1.00 25.00 C ATOM 1809 O ALA B 544 -16.734 -5.381 -3.907 1.00 25.00 O ATOM 1810 CB ALA B 544 -17.084 -3.035 -5.975 1.00 25.00 C ATOM 0 H ALA B 544 -16.537 -1.202 -4.335 1.00 25.00 H new ATOM 0 HA ALA B 544 -18.406 -3.439 -4.336 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -17.213 -4.017 -6.431 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -17.773 -2.327 -6.436 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -16.059 -2.696 -6.128 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.402 -3.695 -3.176 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.389 -4.546 -2.550 1.00 25.00 C ATOM 1818 C LEU B 545 -14.786 -4.971 -1.119 1.00 25.00 C ATOM 1819 O LEU B 545 -14.324 -6.013 -0.643 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.040 -3.801 -2.595 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.222 -3.783 -3.915 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.120 -2.748 -3.864 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -11.627 -5.139 -4.296 1.00 25.00 C ATOM 0 H LEU B 545 -15.220 -2.697 -3.069 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.301 -5.480 -3.105 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.229 -2.765 -2.313 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -12.403 -4.231 -1.822 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.943 -3.522 -4.689 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.566 -2.760 -4.802 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.555 -1.760 -3.712 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.444 -2.977 -3.040 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.071 -5.043 -5.229 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -10.956 -5.477 -3.506 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.430 -5.865 -4.425 1.00 25.00 H new ATOM 1835 N LEU B 546 -15.642 -4.178 -0.438 1.00 25.00 N ATOM 1836 CA LEU B 546 -16.110 -4.545 0.911 1.00 25.00 C ATOM 1837 C LEU B 546 -17.367 -5.438 0.849 1.00 25.00 C ATOM 1838 O LEU B 546 -17.703 -6.115 1.825 1.00 25.00 O ATOM 1839 CB LEU B 546 -16.330 -3.286 1.798 1.00 25.00 C ATOM 1840 CG LEU B 546 -16.869 -3.514 3.219 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -15.901 -4.365 4.027 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.123 -2.202 3.935 1.00 25.00 C ATOM 0 H LEU B 546 -16.015 -3.298 -0.793 1.00 25.00 H new ATOM 0 HA LEU B 546 -15.325 -5.135 1.384 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -15.379 -2.759 1.878 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -17.020 -2.622 1.277 1.00 25.00 H new ATOM 0 HG LEU B 546 -17.819 -4.041 3.128 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -16.299 -4.516 5.030 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -15.771 -5.331 3.539 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -14.938 -3.859 4.091 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -17.503 -2.402 4.937 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -16.192 -1.640 4.006 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -17.857 -1.620 3.378 1.00 25.00 H new ATOM 1854 N SER B 547 -18.044 -5.428 -0.311 1.00 25.00 N ATOM 1855 CA SER B 547 -19.270 -6.211 -0.531 1.00 25.00 C ATOM 1856 C SER B 547 -18.972 -7.708 -0.739 1.00 25.00 C ATOM 1857 O SER B 547 -19.876 -8.543 -0.639 1.00 25.00 O ATOM 1858 CB SER B 547 -20.033 -5.653 -1.739 1.00 25.00 C ATOM 1859 OG SER B 547 -19.309 -5.844 -2.945 1.00 25.00 O ATOM 0 H SER B 547 -17.757 -4.878 -1.121 1.00 25.00 H new ATOM 0 HA SER B 547 -19.884 -6.123 0.365 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.004 -6.142 -1.815 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.222 -4.590 -1.592 1.00 25.00 H new ATOM 0 HG SER B 547 -18.357 -5.671 -2.786 1.00 25.00 H new ATOM 1865 N GLN B 548 -17.700 -8.032 -1.026 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.275 -9.418 -1.296 1.00 25.00 C ATOM 1867 C GLN B 548 -17.156 -10.259 -0.017 1.00 25.00 C ATOM 1868 O GLN B 548 -17.023 -11.486 -0.083 1.00 25.00 O ATOM 1869 CB GLN B 548 -15.942 -9.431 -2.055 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.955 -8.652 -3.370 1.00 25.00 C ATOM 1871 CD GLN B 548 -17.118 -9.018 -4.283 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -17.422 -10.195 -4.479 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -17.775 -8.007 -4.841 1.00 25.00 N ATOM 0 H GLN B 548 -16.944 -7.349 -1.077 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.052 -9.871 -1.912 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -15.167 -9.018 -1.410 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.666 -10.465 -2.262 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -15.998 -7.585 -3.150 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.019 -8.831 -3.898 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -17.489 -7.046 -4.651 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -18.565 -8.191 -5.459 1.00 25.00 H new ATOM 1882 N ILE B 549 -17.215 -9.588 1.135 1.00 25.00 N ATOM 1883 CA ILE B 549 -17.083 -10.247 2.444 1.00 25.00 C ATOM 1884 C ILE B 549 -18.471 -10.566 3.033 1.00 25.00 C ATOM 1885 O ILE B 549 -18.632 -11.565 3.742 1.00 25.00 O ATOM 1886 CB ILE B 549 -16.258 -9.368 3.455 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -14.835 -9.029 2.915 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -16.160 -10.033 4.839 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -13.970 -10.218 2.487 1.00 25.00 C ATOM 0 H ILE B 549 -17.355 -8.579 1.192 1.00 25.00 H new ATOM 0 HA ILE B 549 -16.540 -11.179 2.286 1.00 25.00 H new ATOM 0 HB ILE B 549 -16.805 -8.432 3.563 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -14.944 -8.360 2.061 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -14.299 -8.476 3.687 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -15.583 -9.396 5.509 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -17.161 -10.175 5.246 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -15.666 -11.000 4.744 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -13.005 -9.857 2.130 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -13.817 -10.882 3.338 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -14.471 -10.763 1.687 1.00 25.00 H new ATOM 1901 N SER B 550 -19.460 -9.715 2.726 1.00 25.00 N ATOM 1902 CA SER B 550 -20.829 -9.888 3.224 1.00 25.00 C ATOM 1903 C SER B 550 -21.698 -10.663 2.226 1.00 25.00 C ATOM 1904 O SER B 550 -22.532 -11.480 2.628 1.00 25.00 O ATOM 1905 CB SER B 550 -21.463 -8.525 3.524 1.00 25.00 C ATOM 1906 OG SER B 550 -21.482 -7.704 2.370 1.00 25.00 O ATOM 0 H SER B 550 -19.334 -8.896 2.131 1.00 25.00 H new ATOM 0 HA SER B 550 -20.774 -10.469 4.144 1.00 25.00 H new ATOM 0 HB2 SER B 550 -22.480 -8.667 3.890 1.00 25.00 H new ATOM 0 HB3 SER B 550 -20.905 -8.028 4.318 1.00 25.00 H new ATOM 0 HG SER B 550 -21.893 -6.842 2.589 1.00 25.00 H new ATOM 1912 N SER B 551 -21.493 -10.399 0.927 1.00 25.00 N ATOM 1913 CA SER B 551 -22.244 -11.067 -0.136 1.00 25.00 C ATOM 1914 C SER B 551 -21.306 -11.861 -1.052 1.00 25.00 C ATOM 1915 O SER B 551 -20.622 -11.240 -1.898 1.00 25.00 O ATOM 1916 CB SER B 551 -23.053 -10.044 -0.948 1.00 25.00 C ATOM 1917 OG SER B 551 -23.925 -9.301 -0.112 1.00 25.00 O ATOM 1918 OXT SER B 551 -21.262 -13.101 -0.912 1.00 25.00 O ATOM 0 H SER B 551 -20.808 -9.723 0.590 1.00 25.00 H new ATOM 0 HA SER B 551 -22.938 -11.768 0.327 1.00 25.00 H new ATOM 0 HB2 SER B 551 -22.373 -9.366 -1.464 1.00 25.00 H new ATOM 0 HB3 SER B 551 -23.631 -10.560 -1.715 1.00 25.00 H new ATOM 0 HG SER B 551 -24.427 -8.656 -0.653 1.00 25.00 H new