USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 639 MET CE :methyl 158:sc= -2.91! (180deg=-4.07!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 1.3: B 843 ASN : amide:sc= 0.7 K(o=-2.2,f=-3.1) USER MOD Set 2.1: A 592 HIS : no HE2:sc= 1.09 K(o=2.4,f=-3.3) USER MOD Set 2.2: A 640 TYR OH : rot 103:sc= 1.31 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS :FLIP no HE2:sc= 0.0865 F(o=-0.72,f=0.086) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.104 F(o=-0.95,f=-0.1) USER MOD Single : A 601 SER OG : rot 180:sc= 0 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.6!) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.8!) USER MOD Single : A 614 THR OG1 : rot 50:sc= 0.305 USER MOD Single : A 621 LYS NZ :NH3+ 133:sc= 0.602 (180deg=-0.462) USER MOD Single : A 625 MET CE :methyl -122:sc= -0.519 (180deg=-0.573) USER MOD Single : A 627 ASN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 631 TYR OH : rot 180:sc= -0.0325 USER MOD Single : A 633 LYS NZ :NH3+ 167:sc=-0.000961 (180deg=-0.107) USER MOD Single : A 634 LYS NZ :NH3+ -162:sc= -1.33 (180deg=-1.86) USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.108 F(o=-1.1,f=-0.11) USER MOD Single : A 645 SER OG : rot 180:sc= -0.827 USER MOD Single : A 649 TYR OH : rot 180:sc= 0 USER MOD Single : A 650 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 651 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=-0.0032) 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= -0.0183 X(o=-0.018,f=-0.22) USER MOD Single : A 662 LYS NZ :NH3+ 133:sc= 0.226 (180deg=-0.561) USER MOD Single : A 667 LYS NZ :NH3+ -141:sc= -1.42! (180deg=-5.84!) USER MOD Single : A 670 SER OG : rot 180:sc= -0.161 USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl -153:sc= -1.93 (180deg=-3.62) USER MOD Single : B 855 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.16) USER MOD Single : B 856 ASN : amide:sc= 1.95 K(o=2,f=-3.3!) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 32.913 1.325 -3.971 1.00 0.00 N ATOM 2 CA GLY A 586 33.255 2.724 -3.784 1.00 0.00 C ATOM 3 C GLY A 586 33.128 3.190 -2.349 1.00 0.00 C ATOM 4 O GLY A 586 34.131 3.389 -1.656 1.00 0.00 O ATOM 0 HA2 GLY A 586 34.278 2.888 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 586 32.609 3.335 -4.415 1.00 0.00 H new ATOM 8 N VAL A 587 31.894 3.352 -1.909 1.00 0.00 N ATOM 9 CA VAL A 587 31.607 3.908 -0.594 1.00 0.00 C ATOM 10 C VAL A 587 31.737 2.848 0.501 1.00 0.00 C ATOM 11 O VAL A 587 31.621 1.650 0.237 1.00 0.00 O ATOM 12 CB VAL A 587 30.185 4.514 -0.542 1.00 0.00 C ATOM 13 CG1 VAL A 587 30.052 5.656 -1.537 1.00 0.00 C ATOM 14 CG2 VAL A 587 29.128 3.449 -0.807 1.00 0.00 C ATOM 0 H VAL A 587 31.064 3.104 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 587 32.341 4.694 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 587 30.024 4.909 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 587 29.044 6.069 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 587 30.776 6.435 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 587 30.240 5.285 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 587 28.137 3.901 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 587 29.287 3.016 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 587 29.202 2.667 -0.052 1.00 0.00 H new ATOM 24 N ARG A 588 32.013 3.290 1.726 1.00 0.00 N ATOM 25 CA ARG A 588 32.048 2.384 2.867 1.00 0.00 C ATOM 26 C ARG A 588 30.725 2.444 3.618 1.00 0.00 C ATOM 27 O ARG A 588 30.387 1.555 4.397 1.00 0.00 O ATOM 28 CB ARG A 588 33.257 2.680 3.793 1.00 0.00 C ATOM 29 CG ARG A 588 33.361 4.101 4.370 1.00 0.00 C ATOM 30 CD ARG A 588 32.291 4.406 5.408 1.00 0.00 C ATOM 31 NE ARG A 588 32.645 5.555 6.243 1.00 0.00 N ATOM 32 CZ ARG A 588 32.092 6.766 6.143 1.00 0.00 C ATOM 33 NH1 ARG A 588 31.234 7.039 5.167 1.00 0.00 N ATOM 34 NH2 ARG A 588 32.427 7.715 7.007 1.00 0.00 N ATOM 0 H ARG A 588 32.214 4.264 1.951 1.00 0.00 H new ATOM 0 HA ARG A 588 32.184 1.367 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 588 33.226 1.977 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 588 34.170 2.473 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 588 34.344 4.232 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 588 33.286 4.823 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 588 31.344 4.602 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 588 32.141 3.531 6.041 1.00 0.00 H new ATOM 0 HE ARG A 588 33.366 5.421 6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 588 30.992 6.320 4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 588 30.817 7.967 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 588 33.104 7.518 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 588 32.007 8.642 6.935 1.00 0.00 H new ATOM 48 N LYS A 589 29.989 3.518 3.382 1.00 0.00 N ATOM 49 CA LYS A 589 28.645 3.666 3.915 1.00 0.00 C ATOM 50 C LYS A 589 27.642 3.613 2.772 1.00 0.00 C ATOM 51 O LYS A 589 27.465 4.579 2.029 1.00 0.00 O ATOM 52 CB LYS A 589 28.526 4.979 4.709 1.00 0.00 C ATOM 53 CG LYS A 589 27.102 5.463 4.922 1.00 0.00 C ATOM 54 CD LYS A 589 27.073 6.881 5.476 1.00 0.00 C ATOM 55 CE LYS A 589 27.779 6.980 6.819 1.00 0.00 C ATOM 56 NZ LYS A 589 27.776 8.369 7.349 1.00 0.00 N ATOM 0 H LYS A 589 30.304 4.308 2.819 1.00 0.00 H new ATOM 0 HA LYS A 589 28.430 2.848 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 589 28.999 4.844 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 589 29.085 5.756 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 589 26.560 5.429 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 589 26.587 4.792 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 589 27.548 7.558 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 589 26.039 7.207 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 589 27.291 6.318 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 589 28.807 6.634 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 28.267 8.392 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 28.264 8.997 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 26.795 8.691 7.474 1.00 0.00 H new ATOM 70 N GLY A 590 27.011 2.464 2.620 1.00 0.00 N ATOM 71 CA GLY A 590 26.077 2.267 1.550 1.00 0.00 C ATOM 72 C GLY A 590 25.100 1.165 1.866 1.00 0.00 C ATOM 73 O GLY A 590 25.119 0.103 1.248 1.00 0.00 O ATOM 0 H GLY A 590 27.135 1.656 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 590 25.534 3.194 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 590 26.617 2.025 0.634 1.00 0.00 H new ATOM 77 N TRP A 591 24.256 1.416 2.850 1.00 0.00 N ATOM 78 CA TRP A 591 23.253 0.445 3.249 1.00 0.00 C ATOM 79 C TRP A 591 22.082 0.464 2.271 1.00 0.00 C ATOM 80 O TRP A 591 21.812 -0.510 1.572 1.00 0.00 O ATOM 81 CB TRP A 591 22.705 0.735 4.655 1.00 0.00 C ATOM 82 CG TRP A 591 23.386 1.835 5.426 1.00 0.00 C ATOM 83 CD1 TRP A 591 24.241 1.682 6.479 1.00 0.00 C ATOM 84 CD2 TRP A 591 23.233 3.253 5.236 1.00 0.00 C ATOM 85 NE1 TRP A 591 24.619 2.912 6.960 1.00 0.00 N ATOM 86 CE2 TRP A 591 24.017 3.889 6.215 1.00 0.00 C ATOM 87 CE3 TRP A 591 22.510 4.049 4.340 1.00 0.00 C ATOM 88 CZ2 TRP A 591 24.093 5.279 6.324 1.00 0.00 C ATOM 89 CZ3 TRP A 591 22.589 5.423 4.450 1.00 0.00 C ATOM 90 CH2 TRP A 591 23.377 6.025 5.433 1.00 0.00 C ATOM 0 H TRP A 591 24.245 2.283 3.387 1.00 0.00 H new ATOM 0 HA TRP A 591 23.739 -0.531 3.250 1.00 0.00 H new ATOM 0 HB2 TRP A 591 21.648 0.985 4.565 1.00 0.00 H new ATOM 0 HB3 TRP A 591 22.767 -0.182 5.241 1.00 0.00 H new ATOM 0 HD1 TRP A 591 24.572 0.733 6.876 1.00 0.00 H new ATOM 0 HE1 TRP A 591 25.248 3.071 7.747 1.00 0.00 H new ATOM 0 HE3 TRP A 591 21.899 3.595 3.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 24.697 5.748 7.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 22.031 6.043 3.764 1.00 0.00 H new ATOM 0 HH2 TRP A 591 23.421 7.103 5.489 1.00 0.00 H new ATOM 101 N HIS A 592 21.415 1.607 2.217 1.00 0.00 N ATOM 102 CA HIS A 592 20.154 1.749 1.499 1.00 0.00 C ATOM 103 C HIS A 592 20.350 1.993 0.015 1.00 0.00 C ATOM 104 O HIS A 592 19.376 2.097 -0.714 1.00 0.00 O ATOM 105 CB HIS A 592 19.331 2.899 2.091 1.00 0.00 C ATOM 106 CG HIS A 592 18.667 2.565 3.389 1.00 0.00 C ATOM 107 ND1 HIS A 592 18.921 3.232 4.568 1.00 0.00 N ATOM 108 CD2 HIS A 592 17.750 1.620 3.687 1.00 0.00 C ATOM 109 CE1 HIS A 592 18.194 2.705 5.532 1.00 0.00 C ATOM 110 NE2 HIS A 592 17.472 1.722 5.028 1.00 0.00 N ATOM 0 H HIS A 592 21.732 2.464 2.670 1.00 0.00 H new ATOM 0 HA HIS A 592 19.623 0.804 1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 592 19.983 3.760 2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 592 18.569 3.196 1.370 1.00 0.00 H new ATOM 0 HD1 HIS A 592 19.570 4.011 4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 592 17.314 0.913 2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 592 18.190 3.024 6.564 1.00 0.00 H new ATOM 119 N GLU A 593 21.594 2.067 -0.432 1.00 0.00 N ATOM 120 CA GLU A 593 21.900 2.409 -1.818 1.00 0.00 C ATOM 121 C GLU A 593 21.131 1.546 -2.828 1.00 0.00 C ATOM 122 O GLU A 593 20.701 2.047 -3.866 1.00 0.00 O ATOM 123 CB GLU A 593 23.403 2.305 -2.060 1.00 0.00 C ATOM 124 CG GLU A 593 23.986 0.945 -1.729 1.00 0.00 C ATOM 125 CD GLU A 593 25.444 0.830 -2.113 1.00 0.00 C ATOM 126 OE1 GLU A 593 26.167 1.842 -2.029 1.00 0.00 O ATOM 127 OE2 GLU A 593 25.866 -0.272 -2.523 1.00 0.00 O ATOM 0 H GLU A 593 22.415 1.894 0.147 1.00 0.00 H new ATOM 0 HA GLU A 593 21.574 3.437 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.609 2.533 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.911 3.062 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.879 0.758 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 593 23.416 0.173 -2.246 1.00 0.00 H new ATOM 134 N HIS A 594 20.972 0.255 -2.535 1.00 0.00 N ATOM 135 CA HIS A 594 20.214 -0.644 -3.423 1.00 0.00 C ATOM 136 C HIS A 594 18.721 -0.280 -3.528 1.00 0.00 C ATOM 137 O HIS A 594 17.994 -0.912 -4.291 1.00 0.00 O ATOM 138 CB HIS A 594 20.360 -2.127 -3.010 1.00 0.00 C ATOM 139 CG HIS A 594 19.787 -2.467 -1.664 1.00 0.00 C ATOM 140 ND1 HIS A 594 20.067 -1.984 -0.432 1.00 0.00 N flip ATOM 141 CD2 HIS A 594 18.817 -3.431 -1.480 1.00 0.00 C flip ATOM 142 CE1 HIS A 594 19.274 -2.656 0.461 1.00 0.00 C flip ATOM 143 NE2 HIS A 594 18.529 -3.523 -0.195 1.00 0.00 N flip ATOM 0 H HIS A 594 21.351 -0.193 -1.701 1.00 0.00 H new ATOM 0 HA HIS A 594 20.657 -0.505 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.875 -2.748 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.418 -2.388 -3.015 1.00 0.00 H new ATOM 0 HD1 HIS A 594 20.744 -1.254 -0.209 1.00 0.00 H new ATOM 0 HD2 HIS A 594 18.364 -4.019 -2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 594 19.262 -2.500 1.530 1.00 0.00 H new ATOM 152 N VAL A 595 18.256 0.713 -2.767 1.00 0.00 N ATOM 153 CA VAL A 595 16.881 1.193 -2.890 1.00 0.00 C ATOM 154 C VAL A 595 16.844 2.719 -2.797 1.00 0.00 C ATOM 155 O VAL A 595 17.427 3.309 -1.892 1.00 0.00 O ATOM 156 CB VAL A 595 15.962 0.593 -1.791 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.601 1.280 -1.769 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.791 -0.907 -1.984 1.00 0.00 C ATOM 0 H VAL A 595 18.811 1.198 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 595 16.510 0.870 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 595 16.446 0.767 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.982 0.837 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.733 2.343 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.113 1.152 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.143 -1.303 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.342 -1.100 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.765 -1.394 -1.930 1.00 0.00 H new ATOM 168 N THR A 596 16.148 3.356 -3.722 1.00 0.00 N ATOM 169 CA THR A 596 16.037 4.804 -3.710 1.00 0.00 C ATOM 170 C THR A 596 14.751 5.240 -3.006 1.00 0.00 C ATOM 171 O THR A 596 13.812 4.447 -2.879 1.00 0.00 O ATOM 172 CB THR A 596 16.107 5.396 -5.139 1.00 0.00 C ATOM 173 OG1 THR A 596 15.892 6.813 -5.111 1.00 0.00 O ATOM 174 CG2 THR A 596 15.087 4.744 -6.060 1.00 0.00 C ATOM 0 H THR A 596 15.654 2.897 -4.487 1.00 0.00 H new ATOM 0 HA THR A 596 16.888 5.194 -3.152 1.00 0.00 H new ATOM 0 HB THR A 596 17.105 5.191 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.942 7.169 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.163 5.182 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.282 3.673 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.084 4.908 -5.666 1.00 0.00 H new ATOM 182 N GLN A 597 14.708 6.485 -2.548 1.00 0.00 N ATOM 183 CA GLN A 597 13.539 7.010 -1.854 1.00 0.00 C ATOM 184 C GLN A 597 12.329 7.005 -2.782 1.00 0.00 C ATOM 185 O GLN A 597 11.211 6.673 -2.371 1.00 0.00 O ATOM 186 CB GLN A 597 13.818 8.428 -1.343 1.00 0.00 C ATOM 187 CG GLN A 597 12.669 9.036 -0.553 1.00 0.00 C ATOM 188 CD GLN A 597 12.296 8.226 0.678 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.273 7.575 1.292 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 11.134 8.199 1.082 1.00 0.00 N flip ATOM 0 H GLN A 597 15.473 7.153 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 597 13.322 6.371 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.708 8.408 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.043 9.072 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.941 10.046 -0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.797 9.123 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.408 8.713 0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 597 10.896 7.662 1.916 1.00 0.00 H new ATOM 199 N ASP A 598 12.573 7.356 -4.041 1.00 0.00 N ATOM 200 CA ASP A 598 11.518 7.407 -5.048 1.00 0.00 C ATOM 201 C ASP A 598 10.821 6.056 -5.173 1.00 0.00 C ATOM 202 O ASP A 598 9.598 5.996 -5.304 1.00 0.00 O ATOM 203 CB ASP A 598 12.078 7.839 -6.409 1.00 0.00 C ATOM 204 CG ASP A 598 11.008 7.905 -7.482 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.365 8.967 -7.626 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.802 6.900 -8.192 1.00 0.00 O ATOM 0 H ASP A 598 13.497 7.611 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 598 10.787 8.148 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.550 8.816 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.855 7.139 -6.717 1.00 0.00 H new ATOM 211 N LEU A 599 11.603 4.975 -5.125 1.00 0.00 N ATOM 212 CA LEU A 599 11.060 3.624 -5.190 1.00 0.00 C ATOM 213 C LEU A 599 10.025 3.402 -4.093 1.00 0.00 C ATOM 214 O LEU A 599 8.906 2.963 -4.364 1.00 0.00 O ATOM 215 CB LEU A 599 12.188 2.591 -5.052 1.00 0.00 C ATOM 216 CG LEU A 599 11.801 1.165 -5.435 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.435 1.113 -6.904 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.932 0.195 -5.126 1.00 0.00 C ATOM 0 H LEU A 599 12.619 5.014 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 599 10.575 3.501 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.026 2.904 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.539 2.593 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 599 10.936 0.864 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.159 0.094 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.593 1.779 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.289 1.429 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.633 -0.815 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.820 0.480 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.154 0.223 -4.059 1.00 0.00 H new ATOM 230 N ARG A 600 10.399 3.738 -2.864 1.00 0.00 N ATOM 231 CA ARG A 600 9.513 3.563 -1.720 1.00 0.00 C ATOM 232 C ARG A 600 8.222 4.349 -1.901 1.00 0.00 C ATOM 233 O ARG A 600 7.130 3.796 -1.774 1.00 0.00 O ATOM 234 CB ARG A 600 10.208 3.994 -0.429 1.00 0.00 C ATOM 235 CG ARG A 600 11.444 3.179 -0.102 1.00 0.00 C ATOM 236 CD ARG A 600 12.012 3.557 1.254 1.00 0.00 C ATOM 237 NE ARG A 600 13.198 2.772 1.585 1.00 0.00 N ATOM 238 CZ ARG A 600 13.250 1.874 2.569 1.00 0.00 C ATOM 239 NH1 ARG A 600 12.170 1.609 3.298 1.00 0.00 N ATOM 240 NH2 ARG A 600 14.385 1.229 2.808 1.00 0.00 N ATOM 0 H ARG A 600 11.311 4.134 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 600 9.266 2.504 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.487 5.045 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.502 3.915 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.195 2.118 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.200 3.336 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 600 12.265 4.617 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 600 11.252 3.407 2.021 1.00 0.00 H new ATOM 0 HE ARG A 600 14.040 2.920 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 600 11.294 2.094 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 600 12.218 0.921 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 600 15.210 1.422 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 600 14.432 0.541 3.559 1.00 0.00 H new ATOM 254 N SER A 601 8.344 5.629 -2.233 1.00 0.00 N ATOM 255 CA SER A 601 7.175 6.468 -2.430 1.00 0.00 C ATOM 256 C SER A 601 6.326 5.999 -3.626 1.00 0.00 C ATOM 257 O SER A 601 5.099 6.114 -3.588 1.00 0.00 O ATOM 258 CB SER A 601 7.536 7.975 -2.489 1.00 0.00 C ATOM 259 OG SER A 601 7.891 8.440 -1.198 1.00 0.00 O ATOM 0 H SER A 601 9.236 6.104 -2.370 1.00 0.00 H new ATOM 0 HA SER A 601 6.544 6.352 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 601 8.363 8.132 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.689 8.546 -2.870 1.00 0.00 H new ATOM 0 HG SER A 601 8.119 9.392 -1.244 1.00 0.00 H new ATOM 265 N HIS A 602 6.958 5.466 -4.684 1.00 0.00 N ATOM 266 CA HIS A 602 6.226 5.103 -5.891 1.00 0.00 C ATOM 267 C HIS A 602 5.263 3.964 -5.586 1.00 0.00 C ATOM 268 O HIS A 602 4.078 4.024 -5.915 1.00 0.00 O ATOM 269 CB HIS A 602 7.189 4.684 -7.005 1.00 0.00 C ATOM 270 CG HIS A 602 6.632 4.892 -8.379 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.778 6.071 -9.074 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.926 4.067 -9.188 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.185 5.966 -10.247 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.660 4.760 -10.343 1.00 0.00 N ATOM 0 H HIS A 602 7.961 5.282 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 602 5.664 5.973 -6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.115 5.250 -6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.443 3.632 -6.879 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.628 3.053 -8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.137 6.737 -11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 602 5.141 4.401 -11.144 1.00 0.00 H new ATOM 283 N LEU A 603 5.794 2.938 -4.935 1.00 0.00 N ATOM 284 CA LEU A 603 5.027 1.752 -4.577 1.00 0.00 C ATOM 285 C LEU A 603 3.873 2.096 -3.639 1.00 0.00 C ATOM 286 O LEU A 603 2.778 1.549 -3.770 1.00 0.00 O ATOM 287 CB LEU A 603 5.948 0.708 -3.947 1.00 0.00 C ATOM 288 CG LEU A 603 7.181 0.362 -4.789 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.159 -0.485 -3.997 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.770 -0.354 -6.067 1.00 0.00 C ATOM 0 H LEU A 603 6.770 2.904 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 603 4.593 1.337 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.278 1.072 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.377 -0.203 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 603 7.680 1.293 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 603 9.025 -0.717 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.483 0.064 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.673 -1.412 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.658 -0.592 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.244 -1.275 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 603 6.113 0.291 -6.650 1.00 0.00 H new ATOM 302 N VAL A 604 4.118 3.009 -2.704 1.00 0.00 N ATOM 303 CA VAL A 604 3.091 3.433 -1.756 1.00 0.00 C ATOM 304 C VAL A 604 1.881 4.019 -2.484 1.00 0.00 C ATOM 305 O VAL A 604 0.735 3.731 -2.135 1.00 0.00 O ATOM 306 CB VAL A 604 3.646 4.476 -0.758 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.531 5.089 0.074 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.689 3.842 0.149 1.00 0.00 C ATOM 0 H VAL A 604 5.019 3.470 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 604 2.779 2.548 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 604 4.116 5.272 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 604 2.952 5.818 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 604 1.816 5.584 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.024 4.305 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.069 4.590 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.236 3.023 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.511 3.458 -0.455 1.00 0.00 H new ATOM 318 N HIS A 605 2.140 4.819 -3.517 1.00 0.00 N ATOM 319 CA HIS A 605 1.061 5.427 -4.298 1.00 0.00 C ATOM 320 C HIS A 605 0.239 4.358 -4.997 1.00 0.00 C ATOM 321 O HIS A 605 -0.973 4.484 -5.104 1.00 0.00 O ATOM 322 CB HIS A 605 1.583 6.436 -5.328 1.00 0.00 C ATOM 323 CG HIS A 605 2.011 7.742 -4.736 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.271 7.968 -4.224 1.00 0.00 N ATOM 325 CD2 HIS A 605 1.333 8.903 -4.578 1.00 0.00 C ATOM 326 CE1 HIS A 605 3.346 9.207 -3.777 1.00 0.00 C ATOM 327 NE2 HIS A 605 2.186 9.794 -3.982 1.00 0.00 N ATOM 0 H HIS A 605 3.080 5.061 -3.832 1.00 0.00 H new ATOM 0 HA HIS A 605 0.430 5.969 -3.594 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.427 5.995 -5.858 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.804 6.622 -6.067 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.027 7.284 -4.195 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.310 9.092 -4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.212 9.662 -3.320 1.00 0.00 H new ATOM 336 N LYS A 606 0.904 3.314 -5.482 1.00 0.00 N ATOM 337 CA LYS A 606 0.217 2.224 -6.168 1.00 0.00 C ATOM 338 C LYS A 606 -0.761 1.525 -5.228 1.00 0.00 C ATOM 339 O LYS A 606 -1.873 1.170 -5.627 1.00 0.00 O ATOM 340 CB LYS A 606 1.227 1.218 -6.723 1.00 0.00 C ATOM 341 CG LYS A 606 2.171 1.811 -7.758 1.00 0.00 C ATOM 342 CD LYS A 606 1.407 2.388 -8.939 1.00 0.00 C ATOM 343 CE LYS A 606 2.345 2.982 -9.975 1.00 0.00 C ATOM 344 NZ LYS A 606 1.601 3.551 -11.128 1.00 0.00 N ATOM 0 H LYS A 606 1.915 3.199 -5.413 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.346 2.648 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.814 0.812 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.687 0.384 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 606 2.775 2.592 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.859 1.042 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 606 0.803 1.606 -9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 606 0.719 3.157 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.951 3.761 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 606 3.031 2.212 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 2.274 3.947 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 1.042 2.802 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 0.965 4.303 -10.794 1.00 0.00 H new ATOM 358 N LEU A 607 -0.341 1.330 -3.983 1.00 0.00 N ATOM 359 CA LEU A 607 -1.201 0.733 -2.971 1.00 0.00 C ATOM 360 C LEU A 607 -2.388 1.652 -2.681 1.00 0.00 C ATOM 361 O LEU A 607 -3.537 1.211 -2.672 1.00 0.00 O ATOM 362 CB LEU A 607 -0.394 0.442 -1.698 1.00 0.00 C ATOM 363 CG LEU A 607 -1.095 -0.437 -0.657 1.00 0.00 C ATOM 364 CD1 LEU A 607 -0.069 -1.200 0.160 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.968 0.401 0.263 1.00 0.00 C ATOM 0 H LEU A 607 0.591 1.577 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.593 -0.213 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.541 -0.040 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -0.133 1.391 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.732 -1.146 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.579 -1.821 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.524 -1.833 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.586 -0.495 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.454 -0.247 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.351 1.134 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.726 0.918 -0.326 1.00 0.00 H new ATOM 377 N VAL A 608 -2.101 2.931 -2.444 1.00 0.00 N ATOM 378 CA VAL A 608 -3.147 3.940 -2.274 1.00 0.00 C ATOM 379 C VAL A 608 -4.091 3.963 -3.479 1.00 0.00 C ATOM 380 O VAL A 608 -5.308 4.025 -3.326 1.00 0.00 O ATOM 381 CB VAL A 608 -2.536 5.348 -2.078 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.619 6.417 -2.034 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.697 5.390 -0.811 1.00 0.00 C ATOM 0 H VAL A 608 -1.151 3.294 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.713 3.670 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.892 5.557 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.159 7.395 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.177 6.408 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.297 6.214 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.274 6.387 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.324 5.153 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.890 4.660 -0.884 1.00 0.00 H new ATOM 393 N GLN A 609 -3.509 3.895 -4.672 1.00 0.00 N ATOM 394 CA GLN A 609 -4.263 3.895 -5.922 1.00 0.00 C ATOM 395 C GLN A 609 -5.280 2.754 -5.950 1.00 0.00 C ATOM 396 O GLN A 609 -6.409 2.927 -6.413 1.00 0.00 O ATOM 397 CB GLN A 609 -3.296 3.775 -7.106 1.00 0.00 C ATOM 398 CG GLN A 609 -3.969 3.791 -8.471 1.00 0.00 C ATOM 399 CD GLN A 609 -4.650 5.109 -8.789 1.00 0.00 C ATOM 400 OE1 GLN A 609 -5.661 5.138 -9.492 1.00 0.00 O ATOM 401 NE2 GLN A 609 -4.092 6.207 -8.302 1.00 0.00 N ATOM 0 H GLN A 609 -2.499 3.838 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.812 4.834 -5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.579 4.594 -7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.729 2.849 -7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -3.224 3.581 -9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.706 2.989 -8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.255 6.140 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -4.500 7.120 -8.505 1.00 0.00 H new ATOM 410 N ALA A 610 -4.871 1.592 -5.450 1.00 0.00 N ATOM 411 CA ALA A 610 -5.751 0.435 -5.374 1.00 0.00 C ATOM 412 C ALA A 610 -6.970 0.736 -4.510 1.00 0.00 C ATOM 413 O ALA A 610 -8.089 0.330 -4.831 1.00 0.00 O ATOM 414 CB ALA A 610 -4.997 -0.770 -4.830 1.00 0.00 C ATOM 0 H ALA A 610 -3.931 1.428 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 610 -6.098 0.203 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.669 -1.627 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -4.160 -1.003 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.621 -0.544 -3.832 1.00 0.00 H new ATOM 420 N ILE A 611 -6.751 1.458 -3.418 1.00 0.00 N ATOM 421 CA ILE A 611 -7.830 1.791 -2.499 1.00 0.00 C ATOM 422 C ILE A 611 -8.658 2.964 -3.036 1.00 0.00 C ATOM 423 O ILE A 611 -9.883 2.961 -2.929 1.00 0.00 O ATOM 424 CB ILE A 611 -7.289 2.133 -1.058 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.720 0.892 -0.330 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.360 2.800 -0.197 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.641 1.234 0.676 1.00 0.00 C ATOM 0 H ILE A 611 -5.838 1.823 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.466 0.910 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.470 2.838 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.532 0.374 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -6.314 0.200 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.949 3.020 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.683 3.727 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.213 2.129 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -5.284 0.320 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.812 1.726 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -6.049 1.902 1.434 1.00 0.00 H new ATOM 439 N PHE A 612 -8.005 3.934 -3.664 1.00 0.00 N ATOM 440 CA PHE A 612 -8.669 5.170 -4.034 1.00 0.00 C ATOM 441 C PHE A 612 -8.147 5.661 -5.385 1.00 0.00 C ATOM 442 O PHE A 612 -7.147 6.380 -5.449 1.00 0.00 O ATOM 443 CB PHE A 612 -8.421 6.225 -2.951 1.00 0.00 C ATOM 444 CG PHE A 612 -9.521 7.240 -2.823 1.00 0.00 C ATOM 445 CD1 PHE A 612 -10.666 6.942 -2.103 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.411 8.486 -3.415 1.00 0.00 C ATOM 447 CE1 PHE A 612 -11.682 7.869 -1.976 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.424 9.418 -3.291 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.561 9.108 -2.571 1.00 0.00 C ATOM 0 H PHE A 612 -7.020 3.886 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.741 4.994 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.291 5.723 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.487 6.742 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -10.766 5.974 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.524 8.733 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -12.570 7.624 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.327 10.388 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.354 9.834 -2.474 1.00 0.00 H new ATOM 459 N PRO A 613 -8.810 5.277 -6.486 1.00 0.00 N ATOM 460 CA PRO A 613 -8.325 5.593 -7.834 1.00 0.00 C ATOM 461 C PRO A 613 -8.587 7.044 -8.230 1.00 0.00 C ATOM 462 O PRO A 613 -7.770 7.657 -8.915 1.00 0.00 O ATOM 463 CB PRO A 613 -9.112 4.632 -8.734 1.00 0.00 C ATOM 464 CG PRO A 613 -10.365 4.310 -7.977 1.00 0.00 C ATOM 465 CD PRO A 613 -10.074 4.502 -6.505 1.00 0.00 C ATOM 0 HA PRO A 613 -7.244 5.477 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -9.341 5.093 -9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.537 3.730 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -11.181 4.960 -8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.679 3.285 -8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.880 5.041 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.964 3.547 -5.992 1.00 0.00 H new ATOM 473 N THR A 614 -9.717 7.588 -7.791 1.00 0.00 N ATOM 474 CA THR A 614 -10.120 8.947 -8.152 1.00 0.00 C ATOM 475 C THR A 614 -9.144 10.001 -7.623 1.00 0.00 C ATOM 476 O THR A 614 -9.052 10.220 -6.414 1.00 0.00 O ATOM 477 CB THR A 614 -11.532 9.244 -7.618 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.605 8.884 -6.234 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.578 8.469 -8.406 1.00 0.00 C ATOM 0 H THR A 614 -10.376 7.106 -7.180 1.00 0.00 H new ATOM 0 HA THR A 614 -10.115 9.002 -9.241 1.00 0.00 H new ATOM 0 HB THR A 614 -11.732 10.309 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 614 -10.850 9.281 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.570 8.693 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.530 8.758 -9.456 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.384 7.400 -8.315 1.00 0.00 H new ATOM 487 N PRO A 615 -8.395 10.664 -8.523 1.00 0.00 N ATOM 488 CA PRO A 615 -7.463 11.733 -8.156 1.00 0.00 C ATOM 489 C PRO A 615 -8.180 13.068 -7.986 1.00 0.00 C ATOM 490 O PRO A 615 -8.069 13.962 -8.828 1.00 0.00 O ATOM 491 CB PRO A 615 -6.490 11.797 -9.349 1.00 0.00 C ATOM 492 CG PRO A 615 -6.921 10.697 -10.286 1.00 0.00 C ATOM 493 CD PRO A 615 -8.371 10.439 -9.972 1.00 0.00 C ATOM 0 HA PRO A 615 -6.968 11.538 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.535 12.769 -9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.460 11.652 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.793 10.996 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.322 9.799 -10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.035 11.120 -10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.675 9.426 -10.236 1.00 0.00 H new ATOM 501 N ASP A 616 -8.920 13.193 -6.898 1.00 0.00 N ATOM 502 CA ASP A 616 -9.673 14.416 -6.616 1.00 0.00 C ATOM 503 C ASP A 616 -8.800 15.397 -5.836 1.00 0.00 C ATOM 504 O ASP A 616 -8.215 15.039 -4.815 1.00 0.00 O ATOM 505 CB ASP A 616 -10.950 14.089 -5.817 1.00 0.00 C ATOM 506 CG ASP A 616 -11.768 15.323 -5.502 1.00 0.00 C ATOM 507 OD1 ASP A 616 -11.523 15.949 -4.451 1.00 0.00 O ATOM 508 OD2 ASP A 616 -12.671 15.668 -6.294 1.00 0.00 O ATOM 0 H ASP A 616 -9.020 12.465 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 616 -9.964 14.874 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -11.561 13.387 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -10.675 13.592 -4.887 1.00 0.00 H new ATOM 513 N PRO A 617 -8.694 16.651 -6.330 1.00 0.00 N ATOM 514 CA PRO A 617 -7.817 17.680 -5.746 1.00 0.00 C ATOM 515 C PRO A 617 -8.102 17.963 -4.273 1.00 0.00 C ATOM 516 O PRO A 617 -7.189 18.296 -3.517 1.00 0.00 O ATOM 517 CB PRO A 617 -8.107 18.938 -6.587 1.00 0.00 C ATOM 518 CG PRO A 617 -9.388 18.651 -7.292 1.00 0.00 C ATOM 519 CD PRO A 617 -9.406 17.166 -7.514 1.00 0.00 C ATOM 0 HA PRO A 617 -6.777 17.355 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -8.195 19.822 -5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -7.302 19.132 -7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -10.243 18.968 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -9.443 19.189 -8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -10.423 16.778 -7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -8.903 16.889 -8.441 1.00 0.00 H new ATOM 527 N ALA A 618 -9.361 17.838 -3.866 1.00 0.00 N ATOM 528 CA ALA A 618 -9.735 18.090 -2.483 1.00 0.00 C ATOM 529 C ALA A 618 -9.505 16.844 -1.644 1.00 0.00 C ATOM 530 O ALA A 618 -8.970 16.920 -0.539 1.00 0.00 O ATOM 531 CB ALA A 618 -11.186 18.537 -2.393 1.00 0.00 C ATOM 0 H ALA A 618 -10.135 17.565 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 618 -9.109 18.893 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -11.446 18.720 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -11.321 19.454 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -11.832 17.758 -2.797 1.00 0.00 H new ATOM 537 N ALA A 619 -9.915 15.701 -2.185 1.00 0.00 N ATOM 538 CA ALA A 619 -9.682 14.409 -1.545 1.00 0.00 C ATOM 539 C ALA A 619 -8.196 14.179 -1.285 1.00 0.00 C ATOM 540 O ALA A 619 -7.821 13.506 -0.327 1.00 0.00 O ATOM 541 CB ALA A 619 -10.247 13.287 -2.407 1.00 0.00 C ATOM 0 H ALA A 619 -10.414 15.643 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 619 -10.194 14.412 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.068 12.328 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -11.319 13.433 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -9.759 13.296 -3.382 1.00 0.00 H new ATOM 547 N LEU A 620 -7.354 14.753 -2.132 1.00 0.00 N ATOM 548 CA LEU A 620 -5.906 14.653 -1.967 1.00 0.00 C ATOM 549 C LEU A 620 -5.472 15.311 -0.653 1.00 0.00 C ATOM 550 O LEU A 620 -4.498 14.897 -0.027 1.00 0.00 O ATOM 551 CB LEU A 620 -5.199 15.321 -3.152 1.00 0.00 C ATOM 552 CG LEU A 620 -4.026 14.541 -3.766 1.00 0.00 C ATOM 553 CD1 LEU A 620 -2.924 14.298 -2.744 1.00 0.00 C ATOM 554 CD2 LEU A 620 -4.507 13.220 -4.353 1.00 0.00 C ATOM 0 H LEU A 620 -7.647 15.295 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 620 -5.628 13.600 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -5.937 15.503 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -4.831 16.295 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 620 -3.610 15.149 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -2.110 13.744 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -2.549 15.254 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -3.323 13.722 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -3.661 12.683 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -4.959 12.615 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -5.246 13.415 -5.130 1.00 0.00 H new ATOM 566 N LYS A 621 -6.221 16.322 -0.231 1.00 0.00 N ATOM 567 CA LYS A 621 -5.926 17.065 0.992 1.00 0.00 C ATOM 568 C LYS A 621 -6.870 16.639 2.118 1.00 0.00 C ATOM 569 O LYS A 621 -7.043 17.350 3.109 1.00 0.00 O ATOM 570 CB LYS A 621 -6.065 18.569 0.734 1.00 0.00 C ATOM 571 CG LYS A 621 -5.225 19.067 -0.431 1.00 0.00 C ATOM 572 CD LYS A 621 -5.484 20.536 -0.713 1.00 0.00 C ATOM 573 CE LYS A 621 -4.725 21.010 -1.942 1.00 0.00 C ATOM 574 NZ LYS A 621 -5.104 20.245 -3.160 1.00 0.00 N ATOM 0 H LYS A 621 -7.050 16.651 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 621 -4.902 16.846 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -7.112 18.801 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -5.779 19.112 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -4.168 18.918 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -5.450 18.479 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.552 20.697 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -5.188 21.131 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -4.922 22.070 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -3.654 20.908 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -5.283 20.906 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -4.330 19.601 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -5.965 19.693 -2.970 1.00 0.00 H new ATOM 588 N ASP A 622 -7.486 15.482 1.947 1.00 0.00 N ATOM 589 CA ASP A 622 -8.520 15.002 2.862 1.00 0.00 C ATOM 590 C ASP A 622 -7.939 14.054 3.913 1.00 0.00 C ATOM 591 O ASP A 622 -7.153 13.156 3.597 1.00 0.00 O ATOM 592 CB ASP A 622 -9.616 14.304 2.054 1.00 0.00 C ATOM 593 CG ASP A 622 -10.512 13.418 2.884 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.195 13.931 3.792 1.00 0.00 O ATOM 595 OD2 ASP A 622 -10.538 12.201 2.621 1.00 0.00 O ATOM 0 H ASP A 622 -7.288 14.847 1.174 1.00 0.00 H new ATOM 0 HA ASP A 622 -8.943 15.854 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -10.226 15.059 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -9.152 13.704 1.271 1.00 0.00 H new ATOM 600 N ARG A 623 -8.330 14.287 5.169 1.00 0.00 N ATOM 601 CA ARG A 623 -7.862 13.497 6.310 1.00 0.00 C ATOM 602 C ARG A 623 -8.247 12.023 6.185 1.00 0.00 C ATOM 603 O ARG A 623 -7.467 11.145 6.564 1.00 0.00 O ATOM 604 CB ARG A 623 -8.407 14.067 7.626 1.00 0.00 C ATOM 605 CG ARG A 623 -7.843 15.434 8.007 1.00 0.00 C ATOM 606 CD ARG A 623 -6.323 15.428 8.037 1.00 0.00 C ATOM 607 NE ARG A 623 -5.788 14.382 8.912 1.00 0.00 N ATOM 608 CZ ARG A 623 -4.512 14.006 8.919 1.00 0.00 C ATOM 609 NH1 ARG A 623 -3.641 14.600 8.114 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.107 13.037 9.732 1.00 0.00 N ATOM 0 H ARG A 623 -8.981 15.030 5.423 1.00 0.00 H new ATOM 0 HA ARG A 623 -6.774 13.560 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.492 14.144 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.191 13.362 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.190 16.182 7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.225 15.725 8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -5.943 15.282 7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -5.965 16.400 8.376 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.430 13.915 9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -3.950 15.345 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -2.663 14.312 8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -4.775 12.580 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -3.128 12.750 9.736 1.00 0.00 H new ATOM 624 N ARG A 624 -9.456 11.755 5.693 1.00 0.00 N ATOM 625 CA ARG A 624 -9.912 10.393 5.440 1.00 0.00 C ATOM 626 C ARG A 624 -8.935 9.657 4.526 1.00 0.00 C ATOM 627 O ARG A 624 -8.522 8.533 4.825 1.00 0.00 O ATOM 628 CB ARG A 624 -11.315 10.450 4.830 1.00 0.00 C ATOM 629 CG ARG A 624 -11.709 9.246 3.993 1.00 0.00 C ATOM 630 CD ARG A 624 -12.980 9.540 3.217 1.00 0.00 C ATOM 631 NE ARG A 624 -12.874 10.809 2.498 1.00 0.00 N ATOM 632 CZ ARG A 624 -13.908 11.491 2.011 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.147 11.026 2.144 1.00 0.00 N ATOM 634 NH2 ARG A 624 -13.698 12.650 1.401 1.00 0.00 N ATOM 0 H ARG A 624 -10.142 12.473 5.460 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.953 9.837 6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -12.039 10.564 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.387 11.343 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.903 8.994 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.860 8.380 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.174 8.733 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.828 9.575 3.901 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.942 11.199 2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.311 10.140 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.934 11.555 1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -12.749 13.013 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.485 13.178 1.025 1.00 0.00 H new ATOM 648 N MET A 625 -8.547 10.296 3.425 1.00 0.00 N ATOM 649 CA MET A 625 -7.546 9.718 2.539 1.00 0.00 C ATOM 650 C MET A 625 -6.195 9.591 3.245 1.00 0.00 C ATOM 651 O MET A 625 -5.519 8.576 3.108 1.00 0.00 O ATOM 652 CB MET A 625 -7.394 10.517 1.232 1.00 0.00 C ATOM 653 CG MET A 625 -6.167 10.096 0.418 1.00 0.00 C ATOM 654 SD MET A 625 -5.852 11.148 -1.015 1.00 0.00 S ATOM 655 CE MET A 625 -7.273 10.776 -2.035 1.00 0.00 C ATOM 0 H MET A 625 -8.907 11.203 3.129 1.00 0.00 H new ATOM 0 HA MET A 625 -7.899 8.721 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.290 10.385 0.625 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.321 11.579 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.291 10.108 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.301 9.068 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 625 -6.938 10.397 -3.001 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.887 10.022 -1.543 1.00 0.00 H new ATOM 0 HE3 MET A 625 -7.861 11.682 -2.184 1.00 0.00 H new ATOM 665 N GLU A 626 -5.825 10.601 4.032 1.00 0.00 N ATOM 666 CA GLU A 626 -4.504 10.644 4.651 1.00 0.00 C ATOM 667 C GLU A 626 -4.296 9.445 5.569 1.00 0.00 C ATOM 668 O GLU A 626 -3.217 8.854 5.601 1.00 0.00 O ATOM 669 CB GLU A 626 -4.326 11.943 5.442 1.00 0.00 C ATOM 670 CG GLU A 626 -2.903 12.174 5.924 1.00 0.00 C ATOM 671 CD GLU A 626 -1.936 12.430 4.785 1.00 0.00 C ATOM 672 OE1 GLU A 626 -1.433 11.453 4.191 1.00 0.00 O ATOM 673 OE2 GLU A 626 -1.680 13.612 4.473 1.00 0.00 O ATOM 0 H GLU A 626 -6.421 11.398 4.255 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.758 10.607 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -4.630 12.783 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -4.994 11.928 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -2.888 13.024 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -2.569 11.304 6.490 1.00 0.00 H new ATOM 680 N ASN A 627 -5.339 9.085 6.307 1.00 0.00 N ATOM 681 CA ASN A 627 -5.274 7.954 7.224 1.00 0.00 C ATOM 682 C ASN A 627 -5.052 6.641 6.480 1.00 0.00 C ATOM 683 O ASN A 627 -4.264 5.803 6.920 1.00 0.00 O ATOM 684 CB ASN A 627 -6.540 7.875 8.080 1.00 0.00 C ATOM 685 CG ASN A 627 -6.427 8.696 9.353 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.078 8.170 10.409 1.00 0.00 O ATOM 687 ND2 ASN A 627 -6.699 9.990 9.261 1.00 0.00 N ATOM 0 H ASN A 627 -6.241 9.561 6.288 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.419 8.115 7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.392 8.226 7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.737 6.834 8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -6.622 10.587 10.084 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -6.985 10.389 8.367 1.00 0.00 H new ATOM 694 N LEU A 628 -5.734 6.457 5.352 1.00 0.00 N ATOM 695 CA LEU A 628 -5.549 5.243 4.554 1.00 0.00 C ATOM 696 C LEU A 628 -4.140 5.234 3.960 1.00 0.00 C ATOM 697 O LEU A 628 -3.486 4.192 3.899 1.00 0.00 O ATOM 698 CB LEU A 628 -6.655 5.088 3.466 1.00 0.00 C ATOM 699 CG LEU A 628 -6.450 5.804 2.117 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.546 4.999 1.191 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.796 6.040 1.451 1.00 0.00 C ATOM 0 H LEU A 628 -6.410 7.120 4.973 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.652 4.374 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.777 4.024 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.594 5.441 3.892 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.964 6.760 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.423 5.533 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.572 4.863 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.996 4.025 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.646 6.546 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.290 5.084 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.418 6.659 2.097 1.00 0.00 H new ATOM 713 N VAL A 629 -3.674 6.409 3.537 1.00 0.00 N ATOM 714 CA VAL A 629 -2.339 6.554 2.971 1.00 0.00 C ATOM 715 C VAL A 629 -1.282 6.241 4.028 1.00 0.00 C ATOM 716 O VAL A 629 -0.267 5.605 3.743 1.00 0.00 O ATOM 717 CB VAL A 629 -2.110 7.978 2.409 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.694 8.138 1.884 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.111 8.288 1.311 1.00 0.00 C ATOM 0 H VAL A 629 -4.207 7.277 3.577 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.252 5.847 2.146 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.255 8.685 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.562 9.148 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.016 7.965 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.518 7.416 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.933 9.293 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.998 7.567 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.122 8.226 1.713 1.00 0.00 H new ATOM 729 N ALA A 630 -1.534 6.693 5.251 1.00 0.00 N ATOM 730 CA ALA A 630 -0.641 6.439 6.375 1.00 0.00 C ATOM 731 C ALA A 630 -0.402 4.943 6.570 1.00 0.00 C ATOM 732 O ALA A 630 0.719 4.522 6.862 1.00 0.00 O ATOM 733 CB ALA A 630 -1.193 7.080 7.644 1.00 0.00 C ATOM 0 H ALA A 630 -2.359 7.243 5.491 1.00 0.00 H new ATOM 0 HA ALA A 630 0.324 6.893 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.516 6.882 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.284 8.156 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.174 6.660 7.867 1.00 0.00 H new ATOM 739 N TYR A 631 -1.449 4.137 6.392 1.00 0.00 N ATOM 740 CA TYR A 631 -1.309 2.688 6.509 1.00 0.00 C ATOM 741 C TYR A 631 -0.396 2.160 5.405 1.00 0.00 C ATOM 742 O TYR A 631 0.386 1.233 5.622 1.00 0.00 O ATOM 743 CB TYR A 631 -2.655 1.953 6.475 1.00 0.00 C ATOM 744 CG TYR A 631 -2.495 0.474 6.741 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.024 0.025 7.970 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.788 -0.468 5.767 1.00 0.00 C ATOM 747 CE1 TYR A 631 -1.848 -1.321 8.219 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.618 -1.819 6.011 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.146 -2.238 7.238 1.00 0.00 C ATOM 750 OH TYR A 631 -1.968 -3.581 7.480 1.00 0.00 O ATOM 0 H TYR A 631 -2.391 4.459 6.169 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.865 2.490 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.324 2.386 7.219 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.124 2.098 5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -1.792 0.742 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.154 -0.143 4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.479 -1.652 9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -2.854 -2.543 5.245 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.226 -4.094 6.686 1.00 0.00 H new ATOM 760 N ALA A 632 -0.504 2.757 4.217 1.00 0.00 N ATOM 761 CA ALA A 632 0.308 2.356 3.072 1.00 0.00 C ATOM 762 C ALA A 632 1.793 2.508 3.400 1.00 0.00 C ATOM 763 O ALA A 632 2.616 1.692 2.988 1.00 0.00 O ATOM 764 CB ALA A 632 -0.062 3.164 1.829 1.00 0.00 C ATOM 0 H ALA A 632 -1.149 3.523 4.024 1.00 0.00 H new ATOM 0 HA ALA A 632 0.107 1.307 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.557 2.846 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -1.112 3.000 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.104 4.224 2.021 1.00 0.00 H new ATOM 770 N LYS A 633 2.130 3.564 4.142 1.00 0.00 N ATOM 771 CA LYS A 633 3.502 3.785 4.595 1.00 0.00 C ATOM 772 C LYS A 633 3.950 2.670 5.533 1.00 0.00 C ATOM 773 O LYS A 633 5.085 2.210 5.465 1.00 0.00 O ATOM 774 CB LYS A 633 3.620 5.136 5.313 1.00 0.00 C ATOM 775 CG LYS A 633 4.319 6.214 4.495 1.00 0.00 C ATOM 776 CD LYS A 633 3.598 6.476 3.185 1.00 0.00 C ATOM 777 CE LYS A 633 2.319 7.274 3.388 1.00 0.00 C ATOM 778 NZ LYS A 633 2.587 8.687 3.764 1.00 0.00 N ATOM 0 H LYS A 633 1.469 4.281 4.442 1.00 0.00 H new ATOM 0 HA LYS A 633 4.147 3.788 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.621 5.484 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.164 4.993 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.369 7.136 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.346 5.909 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.260 7.018 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.361 5.526 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 633 1.730 7.250 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 633 1.719 6.802 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 1.711 9.241 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.926 8.727 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.312 9.083 3.132 1.00 0.00 H new ATOM 792 N LYS A 634 3.058 2.245 6.416 1.00 0.00 N ATOM 793 CA LYS A 634 3.345 1.128 7.310 1.00 0.00 C ATOM 794 C LYS A 634 3.695 -0.116 6.501 1.00 0.00 C ATOM 795 O LYS A 634 4.561 -0.903 6.894 1.00 0.00 O ATOM 796 CB LYS A 634 2.165 0.837 8.239 1.00 0.00 C ATOM 797 CG LYS A 634 1.793 2.005 9.137 1.00 0.00 C ATOM 798 CD LYS A 634 0.836 1.586 10.246 1.00 0.00 C ATOM 799 CE LYS A 634 1.569 1.057 11.477 1.00 0.00 C ATOM 800 NZ LYS A 634 2.360 -0.172 11.202 1.00 0.00 N ATOM 0 H LYS A 634 2.131 2.654 6.534 1.00 0.00 H new ATOM 0 HA LYS A 634 4.198 1.406 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.299 0.563 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 634 2.407 -0.025 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 634 2.697 2.427 9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 634 1.333 2.791 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 634 0.219 2.438 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 634 0.162 0.817 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 634 2.234 1.832 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 634 0.843 0.846 12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 2.579 -0.652 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 1.809 -0.810 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.246 0.085 10.722 1.00 0.00 H new ATOM 814 N VAL A 635 2.996 -0.293 5.382 1.00 0.00 N ATOM 815 CA VAL A 635 3.261 -1.395 4.467 1.00 0.00 C ATOM 816 C VAL A 635 4.726 -1.435 4.028 1.00 0.00 C ATOM 817 O VAL A 635 5.359 -2.488 4.106 1.00 0.00 O ATOM 818 CB VAL A 635 2.338 -1.331 3.227 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.923 -2.112 2.059 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.964 -1.877 3.574 1.00 0.00 C ATOM 0 H VAL A 635 2.236 0.320 5.088 1.00 0.00 H new ATOM 0 HA VAL A 635 3.048 -2.313 5.015 1.00 0.00 H new ATOM 0 HB VAL A 635 2.251 -0.287 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.250 -2.047 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.893 -1.693 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.046 -3.157 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.321 -1.828 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.056 -2.913 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.528 -1.282 4.376 1.00 0.00 H new ATOM 830 N GLU A 636 5.266 -0.298 3.582 1.00 0.00 N ATOM 831 CA GLU A 636 6.678 -0.237 3.173 1.00 0.00 C ATOM 832 C GLU A 636 7.577 -0.704 4.318 1.00 0.00 C ATOM 833 O GLU A 636 8.567 -1.404 4.097 1.00 0.00 O ATOM 834 CB GLU A 636 7.079 1.172 2.657 1.00 0.00 C ATOM 835 CG GLU A 636 7.454 2.215 3.717 1.00 0.00 C ATOM 836 CD GLU A 636 8.936 2.233 4.059 1.00 0.00 C ATOM 837 OE1 GLU A 636 9.735 2.768 3.261 1.00 0.00 O ATOM 838 OE2 GLU A 636 9.307 1.747 5.145 1.00 0.00 O ATOM 0 H GLU A 636 4.759 0.583 3.494 1.00 0.00 H new ATOM 0 HA GLU A 636 6.815 -0.916 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.925 1.058 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 636 6.250 1.567 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 636 7.160 3.203 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 636 6.883 2.019 4.625 1.00 0.00 H new ATOM 845 N GLY A 637 7.209 -0.328 5.539 1.00 0.00 N ATOM 846 CA GLY A 637 7.951 -0.762 6.710 1.00 0.00 C ATOM 847 C GLY A 637 7.907 -2.266 6.905 1.00 0.00 C ATOM 848 O GLY A 637 8.940 -2.892 7.123 1.00 0.00 O ATOM 0 H GLY A 637 6.408 0.271 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.989 -0.442 6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.544 -0.273 7.595 1.00 0.00 H new ATOM 852 N ASP A 638 6.711 -2.843 6.837 1.00 0.00 N ATOM 853 CA ASP A 638 6.535 -4.287 7.023 1.00 0.00 C ATOM 854 C ASP A 638 7.244 -5.086 5.933 1.00 0.00 C ATOM 855 O ASP A 638 7.892 -6.095 6.214 1.00 0.00 O ATOM 856 CB ASP A 638 5.047 -4.648 7.049 1.00 0.00 C ATOM 857 CG ASP A 638 4.810 -6.142 7.135 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.237 -6.759 8.132 1.00 0.00 O ATOM 859 OD2 ASP A 638 4.193 -6.709 6.204 1.00 0.00 O ATOM 0 H ASP A 638 5.845 -2.335 6.654 1.00 0.00 H new ATOM 0 HA ASP A 638 6.985 -4.549 7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 638 4.573 -4.159 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.567 -4.259 6.151 1.00 0.00 H new ATOM 864 N MET A 639 7.121 -4.628 4.693 1.00 0.00 N ATOM 865 CA MET A 639 7.775 -5.286 3.557 1.00 0.00 C ATOM 866 C MET A 639 9.285 -5.309 3.758 1.00 0.00 C ATOM 867 O MET A 639 9.951 -6.279 3.411 1.00 0.00 O ATOM 868 CB MET A 639 7.458 -4.581 2.223 1.00 0.00 C ATOM 869 CG MET A 639 5.972 -4.432 1.911 1.00 0.00 C ATOM 870 SD MET A 639 5.138 -6.016 1.709 1.00 0.00 S ATOM 871 CE MET A 639 3.557 -5.479 1.070 1.00 0.00 C ATOM 0 H MET A 639 6.575 -3.803 4.443 1.00 0.00 H new ATOM 0 HA MET A 639 7.387 -6.304 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.913 -3.590 2.236 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.930 -5.138 1.414 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.491 -3.873 2.714 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.854 -3.846 1.000 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.082 -6.302 0.536 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.919 -5.165 1.896 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.706 -4.642 0.388 1.00 0.00 H new ATOM 881 N TYR A 640 9.786 -4.221 4.337 1.00 0.00 N ATOM 882 CA TYR A 640 11.224 -3.952 4.436 1.00 0.00 C ATOM 883 C TYR A 640 12.028 -5.153 4.958 1.00 0.00 C ATOM 884 O TYR A 640 13.140 -5.385 4.480 1.00 0.00 O ATOM 885 CB TYR A 640 11.480 -2.712 5.312 1.00 0.00 C ATOM 886 CG TYR A 640 12.926 -2.245 5.335 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.672 -2.167 4.162 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.545 -1.873 6.529 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.983 -1.740 4.179 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.856 -1.444 6.548 1.00 0.00 C ATOM 891 CZ TYR A 640 15.568 -1.381 5.372 1.00 0.00 C ATOM 892 OH TYR A 640 16.872 -0.951 5.387 1.00 0.00 O ATOM 0 H TYR A 640 9.205 -3.494 4.754 1.00 0.00 H new ATOM 0 HA TYR A 640 11.575 -3.760 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.853 -1.895 4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.166 -2.932 6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 640 13.216 -2.446 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 640 12.989 -1.922 7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 640 15.548 -1.687 3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.321 -1.159 7.480 1.00 0.00 H new ATOM 0 HH TYR A 640 16.894 0.025 5.469 1.00 0.00 H new ATOM 902 N GLU A 641 11.498 -5.923 5.914 1.00 0.00 N ATOM 903 CA GLU A 641 12.260 -7.063 6.444 1.00 0.00 C ATOM 904 C GLU A 641 12.472 -8.125 5.361 1.00 0.00 C ATOM 905 O GLU A 641 13.601 -8.534 5.087 1.00 0.00 O ATOM 906 CB GLU A 641 11.557 -7.696 7.655 1.00 0.00 C ATOM 907 CG GLU A 641 11.694 -6.883 8.959 1.00 0.00 C ATOM 908 CD GLU A 641 10.864 -5.618 8.955 1.00 0.00 C ATOM 909 OE1 GLU A 641 9.627 -5.711 8.826 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.446 -4.521 9.102 1.00 0.00 O ATOM 0 H GLU A 641 10.575 -5.787 6.327 1.00 0.00 H new ATOM 0 HA GLU A 641 13.228 -6.681 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 641 10.499 -7.817 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 641 11.964 -8.694 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 641 11.394 -7.505 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 641 12.742 -6.623 9.111 1.00 0.00 H new ATOM 917 N SER A 642 11.378 -8.547 4.741 1.00 0.00 N ATOM 918 CA SER A 642 11.429 -9.513 3.646 1.00 0.00 C ATOM 919 C SER A 642 12.114 -8.927 2.405 1.00 0.00 C ATOM 920 O SER A 642 12.842 -9.627 1.701 1.00 0.00 O ATOM 921 CB SER A 642 10.023 -10.004 3.306 1.00 0.00 C ATOM 922 OG SER A 642 9.441 -10.689 4.404 1.00 0.00 O ATOM 0 H SER A 642 10.437 -8.234 4.978 1.00 0.00 H new ATOM 0 HA SER A 642 12.027 -10.362 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.396 -9.157 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.065 -10.666 2.441 1.00 0.00 H new ATOM 0 HG SER A 642 8.541 -10.991 4.161 1.00 0.00 H new ATOM 928 N ALA A 643 11.834 -7.651 2.136 1.00 0.00 N ATOM 929 CA ALA A 643 12.384 -6.898 0.995 1.00 0.00 C ATOM 930 C ALA A 643 13.915 -6.809 0.961 1.00 0.00 C ATOM 931 O ALA A 643 14.468 -5.920 0.311 1.00 0.00 O ATOM 932 CB ALA A 643 11.798 -5.498 0.970 1.00 0.00 C ATOM 0 H ALA A 643 11.205 -7.095 2.715 1.00 0.00 H new ATOM 0 HA ALA A 643 12.096 -7.463 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.209 -4.947 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.714 -5.559 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.050 -4.982 1.896 1.00 0.00 H new ATOM 938 N ASN A 644 14.601 -7.701 1.659 1.00 0.00 N ATOM 939 CA ASN A 644 16.062 -7.712 1.680 1.00 0.00 C ATOM 940 C ASN A 644 16.618 -8.132 0.308 1.00 0.00 C ATOM 941 O ASN A 644 17.832 -8.211 0.114 1.00 0.00 O ATOM 942 CB ASN A 644 16.564 -8.682 2.775 1.00 0.00 C ATOM 943 CG ASN A 644 18.050 -8.517 3.092 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.548 -7.281 3.064 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.738 -9.496 3.385 1.00 0.00 N flip ATOM 0 H ASN A 644 14.169 -8.433 2.223 1.00 0.00 H new ATOM 0 HA ASN A 644 16.416 -6.706 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.985 -8.523 3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.379 -9.707 2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.322 -10.427 3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.724 -9.375 3.617 1.00 0.00 H new ATOM 952 N SER A 645 15.722 -8.392 -0.640 1.00 0.00 N ATOM 953 CA SER A 645 16.102 -8.646 -2.020 1.00 0.00 C ATOM 954 C SER A 645 15.146 -7.912 -2.963 1.00 0.00 C ATOM 955 O SER A 645 13.988 -7.674 -2.604 1.00 0.00 O ATOM 956 CB SER A 645 16.100 -10.149 -2.313 1.00 0.00 C ATOM 957 OG SER A 645 14.855 -10.734 -1.974 1.00 0.00 O ATOM 0 H SER A 645 14.717 -8.432 -0.471 1.00 0.00 H new ATOM 0 HA SER A 645 17.113 -8.273 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 645 16.308 -10.317 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.898 -10.633 -1.750 1.00 0.00 H new ATOM 0 HG SER A 645 14.880 -11.693 -2.172 1.00 0.00 H new ATOM 963 N ARG A 646 15.626 -7.520 -4.137 1.00 0.00 N ATOM 964 CA ARG A 646 14.803 -6.760 -5.081 1.00 0.00 C ATOM 965 C ARG A 646 13.530 -7.517 -5.454 1.00 0.00 C ATOM 966 O ARG A 646 12.428 -6.973 -5.355 1.00 0.00 O ATOM 967 CB ARG A 646 15.595 -6.432 -6.350 1.00 0.00 C ATOM 968 CG ARG A 646 16.754 -5.474 -6.131 1.00 0.00 C ATOM 969 CD ARG A 646 16.278 -4.101 -5.673 1.00 0.00 C ATOM 970 NE ARG A 646 15.389 -3.464 -6.647 1.00 0.00 N ATOM 971 CZ ARG A 646 15.266 -2.144 -6.790 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.009 -1.320 -6.066 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.401 -1.647 -7.662 1.00 0.00 N ATOM 0 H ARG A 646 16.574 -7.712 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 646 14.518 -5.832 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.980 -7.359 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.917 -6.002 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.433 -5.890 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.320 -5.372 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.758 -4.199 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 646 17.142 -3.459 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 646 14.831 -4.066 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.680 -1.694 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.910 -0.311 -6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.827 -2.275 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.309 -0.637 -7.770 1.00 0.00 H new ATOM 987 N ASP A 647 13.687 -8.777 -5.846 1.00 0.00 N ATOM 988 CA ASP A 647 12.569 -9.585 -6.333 1.00 0.00 C ATOM 989 C ASP A 647 11.488 -9.738 -5.270 1.00 0.00 C ATOM 990 O ASP A 647 10.294 -9.638 -5.566 1.00 0.00 O ATOM 991 CB ASP A 647 13.050 -10.971 -6.770 1.00 0.00 C ATOM 992 CG ASP A 647 11.910 -11.840 -7.267 1.00 0.00 C ATOM 993 OD1 ASP A 647 11.561 -11.740 -8.464 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.347 -12.614 -6.464 1.00 0.00 O ATOM 0 H ASP A 647 14.582 -9.265 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 647 12.144 -9.063 -7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.794 -10.864 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.543 -11.464 -5.932 1.00 0.00 H new ATOM 999 N GLU A 648 11.918 -9.976 -4.039 1.00 0.00 N ATOM 1000 CA GLU A 648 10.991 -10.176 -2.933 1.00 0.00 C ATOM 1001 C GLU A 648 10.106 -8.949 -2.746 1.00 0.00 C ATOM 1002 O GLU A 648 8.898 -9.068 -2.537 1.00 0.00 O ATOM 1003 CB GLU A 648 11.752 -10.458 -1.638 1.00 0.00 C ATOM 1004 CG GLU A 648 10.909 -11.149 -0.580 1.00 0.00 C ATOM 1005 CD GLU A 648 10.540 -12.559 -0.982 1.00 0.00 C ATOM 1006 OE1 GLU A 648 9.539 -12.741 -1.709 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.257 -13.498 -0.585 1.00 0.00 O ATOM 0 H GLU A 648 12.903 -10.035 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 648 10.364 -11.035 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.619 -11.079 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.129 -9.518 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.457 -11.172 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.001 -10.572 -0.406 1.00 0.00 H new ATOM 1014 N TYR A 649 10.716 -7.773 -2.851 1.00 0.00 N ATOM 1015 CA TYR A 649 10.018 -6.515 -2.610 1.00 0.00 C ATOM 1016 C TYR A 649 8.804 -6.375 -3.530 1.00 0.00 C ATOM 1017 O TYR A 649 7.707 -6.056 -3.070 1.00 0.00 O ATOM 1018 CB TYR A 649 10.976 -5.331 -2.799 1.00 0.00 C ATOM 1019 CG TYR A 649 10.523 -4.038 -2.141 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.456 -4.013 -1.244 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.176 -2.842 -2.409 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.057 -2.836 -0.643 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.783 -1.661 -1.806 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.723 -1.665 -0.926 1.00 0.00 C ATOM 1025 OH TYR A 649 9.328 -0.491 -0.324 1.00 0.00 O ATOM 0 H TYR A 649 11.698 -7.665 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 649 9.660 -6.516 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.953 -5.604 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.107 -5.153 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.933 -4.930 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 649 12.005 -2.834 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.226 -2.834 0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.304 -0.741 -2.024 1.00 0.00 H new ATOM 0 HH TYR A 649 9.901 0.243 -0.630 1.00 0.00 H new ATOM 1035 N TYR A 650 8.990 -6.635 -4.824 1.00 0.00 N ATOM 1036 CA TYR A 650 7.914 -6.556 -5.785 1.00 0.00 C ATOM 1037 C TYR A 650 6.842 -7.595 -5.486 1.00 0.00 C ATOM 1038 O TYR A 650 5.643 -7.321 -5.590 1.00 0.00 O ATOM 1039 CB TYR A 650 8.468 -6.800 -7.180 1.00 0.00 C ATOM 1040 CG TYR A 650 9.594 -5.878 -7.586 1.00 0.00 C ATOM 1041 CD1 TYR A 650 9.407 -4.503 -7.681 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.845 -6.390 -7.894 1.00 0.00 C ATOM 1043 CE1 TYR A 650 10.439 -3.670 -8.072 1.00 0.00 C ATOM 1044 CE2 TYR A 650 11.879 -5.566 -8.280 1.00 0.00 C ATOM 1045 CZ TYR A 650 11.674 -4.208 -8.369 1.00 0.00 C ATOM 1046 OH TYR A 650 12.705 -3.390 -8.764 1.00 0.00 O ATOM 0 H TYR A 650 9.889 -6.904 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 650 7.466 -5.564 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.821 -7.830 -7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.657 -6.698 -7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 650 8.442 -4.080 -7.446 1.00 0.00 H new ATOM 0 HD2 TYR A 650 11.012 -7.455 -7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 650 10.279 -2.604 -8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.847 -5.984 -8.512 1.00 0.00 H new ATOM 0 HH TYR A 650 13.505 -3.930 -8.933 1.00 0.00 H new ATOM 1056 N HIS A 651 7.297 -8.778 -5.094 1.00 0.00 N ATOM 1057 CA HIS A 651 6.426 -9.935 -4.926 1.00 0.00 C ATOM 1058 C HIS A 651 5.440 -9.695 -3.787 1.00 0.00 C ATOM 1059 O HIS A 651 4.241 -9.945 -3.920 1.00 0.00 O ATOM 1060 CB HIS A 651 7.281 -11.175 -4.640 1.00 0.00 C ATOM 1061 CG HIS A 651 6.523 -12.468 -4.626 1.00 0.00 C ATOM 1062 ND1 HIS A 651 6.619 -13.404 -5.631 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.674 -12.990 -3.711 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.862 -14.442 -5.336 1.00 0.00 C ATOM 1065 NE2 HIS A 651 5.277 -14.217 -4.177 1.00 0.00 N ATOM 0 H HIS A 651 8.278 -8.963 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 651 5.856 -10.094 -5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 651 8.068 -11.239 -5.392 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.772 -11.047 -3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.366 -12.526 -2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 651 5.742 -15.328 -5.942 1.00 0.00 H new ATOM 0 HE2 HIS A 651 4.634 -14.852 -3.704 1.00 0.00 H new ATOM 1074 N LEU A 652 5.971 -9.211 -2.672 1.00 0.00 N ATOM 1075 CA LEU A 652 5.179 -8.962 -1.473 1.00 0.00 C ATOM 1076 C LEU A 652 4.060 -7.966 -1.746 1.00 0.00 C ATOM 1077 O LEU A 652 2.899 -8.214 -1.410 1.00 0.00 O ATOM 1078 CB LEU A 652 6.081 -8.416 -0.371 1.00 0.00 C ATOM 1079 CG LEU A 652 7.260 -9.306 0.010 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.243 -8.529 0.863 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.775 -10.544 0.747 1.00 0.00 C ATOM 0 H LEU A 652 6.960 -8.980 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 652 4.731 -9.905 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.467 -7.447 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.475 -8.243 0.519 1.00 0.00 H new ATOM 0 HG LEU A 652 7.766 -9.627 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 652 9.081 -9.173 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.610 -7.669 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.746 -8.186 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.629 -11.168 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 652 6.249 -10.245 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 652 6.099 -11.108 0.105 1.00 0.00 H new ATOM 1093 N LEU A 653 4.418 -6.842 -2.357 1.00 0.00 N ATOM 1094 CA LEU A 653 3.450 -5.805 -2.685 1.00 0.00 C ATOM 1095 C LEU A 653 2.383 -6.337 -3.633 1.00 0.00 C ATOM 1096 O LEU A 653 1.194 -6.143 -3.400 1.00 0.00 O ATOM 1097 CB LEU A 653 4.155 -4.586 -3.284 1.00 0.00 C ATOM 1098 CG LEU A 653 4.951 -3.749 -2.280 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.131 -3.083 -2.960 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.062 -2.694 -1.639 1.00 0.00 C ATOM 0 H LEU A 653 5.375 -6.627 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 653 2.954 -5.496 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.830 -4.924 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.409 -3.948 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 653 5.322 -4.416 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.685 -2.492 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.786 -3.846 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.772 -2.432 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.646 -2.109 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.664 -2.035 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.238 -3.181 -1.118 1.00 0.00 H new ATOM 1112 N ALA A 654 2.812 -7.036 -4.680 1.00 0.00 N ATOM 1113 CA ALA A 654 1.888 -7.601 -5.659 1.00 0.00 C ATOM 1114 C ALA A 654 0.871 -8.532 -5.001 1.00 0.00 C ATOM 1115 O ALA A 654 -0.324 -8.469 -5.296 1.00 0.00 O ATOM 1116 CB ALA A 654 2.660 -8.347 -6.729 1.00 0.00 C ATOM 0 H ALA A 654 3.796 -7.225 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 654 1.339 -6.777 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.963 -8.765 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.340 -7.660 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.233 -9.153 -6.270 1.00 0.00 H new ATOM 1122 N GLU A 655 1.355 -9.391 -4.112 1.00 0.00 N ATOM 1123 CA GLU A 655 0.481 -10.316 -3.389 1.00 0.00 C ATOM 1124 C GLU A 655 -0.504 -9.547 -2.508 1.00 0.00 C ATOM 1125 O GLU A 655 -1.712 -9.788 -2.551 1.00 0.00 O ATOM 1126 CB GLU A 655 1.305 -11.309 -2.542 1.00 0.00 C ATOM 1127 CG GLU A 655 0.520 -11.959 -1.414 1.00 0.00 C ATOM 1128 CD GLU A 655 1.357 -12.944 -0.626 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.408 -14.129 -1.014 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.975 -12.537 0.381 1.00 0.00 O ATOM 0 H GLU A 655 2.343 -9.469 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.086 -10.888 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.697 -12.089 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 655 2.163 -10.786 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.144 -11.186 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.348 -12.472 -1.827 1.00 0.00 H new ATOM 1137 N LYS A 656 0.018 -8.603 -1.735 1.00 0.00 N ATOM 1138 CA LYS A 656 -0.792 -7.853 -0.784 1.00 0.00 C ATOM 1139 C LYS A 656 -1.833 -6.982 -1.498 1.00 0.00 C ATOM 1140 O LYS A 656 -2.975 -6.879 -1.050 1.00 0.00 O ATOM 1141 CB LYS A 656 0.111 -7.013 0.128 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.603 -6.459 1.355 1.00 0.00 C ATOM 1143 CD LYS A 656 0.375 -6.023 2.441 1.00 0.00 C ATOM 1144 CE LYS A 656 1.140 -7.211 3.019 1.00 0.00 C ATOM 1145 NZ LYS A 656 2.060 -6.816 4.124 1.00 0.00 N ATOM 0 H LYS A 656 1.003 -8.338 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.342 -8.562 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.953 -7.624 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 656 0.523 -6.184 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -1.220 -5.610 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -1.275 -7.218 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 656 1.080 -5.302 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.168 -5.517 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 656 0.430 -7.951 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 656 1.715 -7.689 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 2.851 -7.490 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 2.430 -5.861 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 1.542 -6.821 5.026 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.440 -6.360 -2.609 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.365 -5.544 -3.396 1.00 0.00 C ATOM 1161 C ILE A 657 -3.485 -6.405 -3.984 1.00 0.00 C ATOM 1162 O ILE A 657 -4.648 -5.997 -4.001 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.642 -4.779 -4.535 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.618 -3.800 -3.949 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.647 -4.029 -5.404 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.181 -3.053 -4.996 1.00 0.00 C ATOM 0 H ILE A 657 -0.492 -6.405 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 657 -2.794 -4.809 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.121 -5.505 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.138 -3.078 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 657 0.069 -4.349 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.119 -3.499 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.347 -4.738 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.195 -3.313 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.884 -2.380 -4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.730 -3.766 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.495 -2.475 -5.626 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.138 -7.602 -4.458 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.142 -8.523 -4.991 1.00 0.00 C ATOM 1180 C TYR A 658 -5.136 -8.898 -3.893 1.00 0.00 C ATOM 1181 O TYR A 658 -6.330 -9.046 -4.155 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.519 -9.786 -5.613 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.443 -10.485 -6.601 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.963 -9.791 -7.691 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.809 -11.823 -6.448 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.812 -10.405 -8.592 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.661 -12.437 -7.347 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.158 -11.724 -8.415 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.005 -12.334 -9.312 1.00 0.00 O ATOM 0 H TYR A 658 -2.181 -7.954 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.664 -8.006 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.593 -9.515 -6.120 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.254 -10.483 -4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.698 -8.754 -7.835 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.420 -12.388 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.203 -9.851 -9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.936 -13.473 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.148 -13.266 -9.045 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.635 -9.052 -2.662 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.496 -9.361 -1.526 1.00 0.00 C ATOM 1201 C LYS A 659 -6.597 -8.316 -1.394 1.00 0.00 C ATOM 1202 O LYS A 659 -7.767 -8.651 -1.211 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.684 -9.415 -0.229 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.760 -10.615 -0.126 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.546 -11.908 -0.006 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.628 -13.095 0.224 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.395 -14.344 0.458 1.00 0.00 N ATOM 0 H LYS A 659 -3.645 -8.968 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 659 -5.947 -10.338 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.090 -8.505 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.371 -9.425 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.117 -10.658 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.108 -10.501 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.255 -11.829 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.128 -12.067 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -2.977 -13.224 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -2.985 -12.897 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.735 -15.133 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -4.998 -14.229 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -4.990 -14.546 -0.371 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.212 -7.052 -1.513 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.166 -5.951 -1.458 1.00 0.00 C ATOM 1223 C ILE A 660 -8.221 -6.085 -2.553 1.00 0.00 C ATOM 1224 O ILE A 660 -9.398 -5.823 -2.314 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.461 -4.563 -1.513 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.688 -3.825 -0.198 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -6.937 -3.696 -2.681 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.943 -2.515 -0.113 1.00 0.00 C ATOM 0 H ILE A 660 -5.243 -6.763 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.673 -6.010 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.398 -4.749 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.755 -3.637 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.379 -4.465 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.409 -2.742 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.733 -4.208 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.009 -3.519 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.148 -2.041 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.873 -2.698 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.270 -1.858 -0.919 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.809 -6.532 -3.739 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.732 -6.632 -4.872 1.00 0.00 C ATOM 1242 C GLN A 661 -9.798 -7.680 -4.586 1.00 0.00 C ATOM 1243 O GLN A 661 -10.967 -7.512 -4.945 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.012 -6.936 -6.197 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.100 -5.806 -6.671 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.583 -6.021 -8.080 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -6.387 -7.152 -8.519 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -6.368 -4.932 -8.800 1.00 0.00 N ATOM 0 H GLN A 661 -6.854 -6.828 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.206 -5.658 -4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.420 -7.844 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.756 -7.138 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.645 -4.863 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.255 -5.716 -5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.544 -4.011 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.027 -5.013 -9.758 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.380 -8.767 -3.948 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.290 -9.827 -3.543 1.00 0.00 C ATOM 1259 C LYS A 662 -11.273 -9.314 -2.491 1.00 0.00 C ATOM 1260 O LYS A 662 -12.481 -9.540 -2.589 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.496 -11.018 -2.992 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.351 -12.073 -2.302 1.00 0.00 C ATOM 1263 CD LYS A 662 -11.322 -12.739 -3.264 1.00 0.00 C ATOM 1264 CE LYS A 662 -12.317 -13.622 -2.525 1.00 0.00 C ATOM 1265 NZ LYS A 662 -13.194 -12.830 -1.620 1.00 0.00 N ATOM 0 H LYS A 662 -8.406 -8.936 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.857 -10.153 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.951 -11.487 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.753 -10.649 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.704 -12.830 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.908 -11.611 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -11.859 -11.976 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -10.768 -13.338 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -12.931 -14.160 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -11.777 -14.371 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -14.184 -13.120 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -12.915 -12.998 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -13.096 -11.818 -1.840 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.740 -8.619 -1.494 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.543 -8.119 -0.386 1.00 0.00 C ATOM 1281 C GLU A 663 -12.552 -7.074 -0.851 1.00 0.00 C ATOM 1282 O GLU A 663 -13.718 -7.114 -0.456 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.646 -7.545 0.710 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.757 -8.588 1.374 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.548 -9.755 1.933 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.069 -9.635 3.062 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.657 -10.793 1.250 1.00 0.00 O ATOM 0 H GLU A 663 -9.749 -8.388 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.102 -8.961 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.018 -6.763 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.270 -7.074 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.033 -8.959 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.191 -8.119 2.178 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.104 -6.142 -1.692 1.00 0.00 N ATOM 1295 CA LEU A 664 -12.988 -5.112 -2.235 1.00 0.00 C ATOM 1296 C LEU A 664 -14.138 -5.753 -3.000 1.00 0.00 C ATOM 1297 O LEU A 664 -15.295 -5.369 -2.834 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.228 -4.157 -3.164 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.062 -3.401 -2.530 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.355 -2.559 -3.578 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.543 -2.531 -1.378 1.00 0.00 C ATOM 0 H LEU A 664 -11.137 -6.079 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.381 -4.539 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.848 -4.729 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -12.935 -3.429 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.355 -4.128 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.525 -2.024 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -9.974 -3.206 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.057 -1.842 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -10.695 -2.003 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.270 -1.808 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.009 -3.158 -0.618 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.806 -6.745 -3.823 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.802 -7.462 -4.610 1.00 0.00 C ATOM 1315 C GLU A 665 -15.819 -8.131 -3.693 1.00 0.00 C ATOM 1316 O GLU A 665 -17.026 -8.090 -3.941 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.112 -8.514 -5.485 1.00 0.00 C ATOM 1318 CG GLU A 665 -15.061 -9.292 -6.387 1.00 0.00 C ATOM 1319 CD GLU A 665 -15.716 -8.419 -7.434 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -16.750 -7.789 -7.133 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -15.203 -8.354 -8.571 1.00 0.00 O ATOM 0 H GLU A 665 -12.849 -7.071 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.325 -6.751 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.362 -8.021 -6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.583 -9.216 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -14.512 -10.094 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -15.832 -9.762 -5.777 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.318 -8.724 -2.621 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.154 -9.455 -1.684 1.00 0.00 C ATOM 1330 C GLU A 666 -17.173 -8.534 -1.014 1.00 0.00 C ATOM 1331 O GLU A 666 -18.367 -8.826 -1.001 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.277 -10.127 -0.624 1.00 0.00 C ATOM 1333 CG GLU A 666 -16.026 -11.103 0.265 1.00 0.00 C ATOM 1334 CD GLU A 666 -16.621 -12.254 -0.517 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -15.873 -13.191 -0.868 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -17.838 -12.227 -0.792 1.00 0.00 O ATOM 0 H GLU A 666 -14.328 -8.712 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.703 -10.216 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.463 -10.655 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.824 -9.357 -0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -15.348 -11.494 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.821 -10.575 0.791 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.706 -7.420 -0.464 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.592 -6.487 0.226 1.00 0.00 C ATOM 1345 C LYS A 667 -18.554 -5.772 -0.720 1.00 0.00 C ATOM 1346 O LYS A 667 -19.725 -5.578 -0.383 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.812 -5.476 1.068 1.00 0.00 C ATOM 1348 CG LYS A 667 -15.655 -4.802 0.353 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.007 -3.717 1.209 1.00 0.00 C ATOM 1350 CE LYS A 667 -14.429 -4.250 2.521 1.00 0.00 C ATOM 1351 NZ LYS A 667 -15.479 -4.598 3.520 1.00 0.00 N ATOM 0 H LYS A 667 -15.725 -7.140 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 667 -18.196 -7.096 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -17.502 -4.707 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -16.427 -5.983 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -14.907 -5.550 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -16.011 -4.364 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -14.212 -3.238 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -15.747 -2.948 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -13.825 -5.134 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -13.762 -3.501 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -15.161 -4.317 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -16.360 -4.096 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -15.650 -5.624 3.501 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.077 -5.375 -1.904 1.00 0.00 N ATOM 1366 CA ARG A 668 -18.886 -4.560 -2.803 1.00 0.00 C ATOM 1367 C ARG A 668 -20.041 -5.351 -3.389 1.00 0.00 C ATOM 1368 O ARG A 668 -20.899 -4.811 -4.091 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.045 -3.924 -3.915 1.00 0.00 C ATOM 1370 CG ARG A 668 -17.507 -4.911 -4.936 1.00 0.00 C ATOM 1371 CD ARG A 668 -16.695 -4.201 -6.006 1.00 0.00 C ATOM 1372 NE ARG A 668 -16.211 -5.117 -7.037 1.00 0.00 N ATOM 1373 CZ ARG A 668 -15.461 -4.741 -8.074 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -15.086 -3.475 -8.206 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -15.077 -5.637 -8.972 1.00 0.00 N ATOM 0 H ARG A 668 -17.147 -5.603 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 668 -19.302 -3.752 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.651 -3.179 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -17.207 -3.395 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -16.885 -5.654 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -18.335 -5.448 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -17.307 -3.427 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -15.846 -3.700 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 668 -16.462 -6.103 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -15.371 -2.784 -7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -14.512 -3.193 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -15.355 -6.613 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -14.503 -5.350 -9.765 1.00 0.00 H new ATOM 1389 N ARG A 669 -20.026 -6.632 -3.103 1.00 0.00 N ATOM 1390 CA ARG A 669 -21.143 -7.526 -3.395 1.00 0.00 C ATOM 1391 C ARG A 669 -22.461 -6.930 -2.899 1.00 0.00 C ATOM 1392 O ARG A 669 -23.508 -7.099 -3.527 1.00 0.00 O ATOM 1393 CB ARG A 669 -20.898 -8.886 -2.737 1.00 0.00 C ATOM 1394 CG ARG A 669 -22.082 -9.835 -2.801 1.00 0.00 C ATOM 1395 CD ARG A 669 -21.794 -11.118 -2.042 1.00 0.00 C ATOM 1396 NE ARG A 669 -22.985 -11.950 -1.893 1.00 0.00 N ATOM 1397 CZ ARG A 669 -23.111 -12.906 -0.972 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -22.112 -13.167 -0.136 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -24.235 -13.606 -0.890 1.00 0.00 N ATOM 0 H ARG A 669 -19.235 -7.096 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 669 -21.214 -7.654 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -20.042 -9.360 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -20.630 -8.728 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -22.964 -9.351 -2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -22.310 -10.067 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -21.022 -11.682 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -21.398 -10.874 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 669 -23.765 -11.791 -2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -21.244 -12.635 -0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -22.213 -13.899 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -25.004 -13.413 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -24.330 -14.337 -0.185 1.00 0.00 H new ATOM 1413 N SER A 670 -22.407 -6.232 -1.775 1.00 0.00 N ATOM 1414 CA SER A 670 -23.581 -5.558 -1.264 1.00 0.00 C ATOM 1415 C SER A 670 -23.392 -4.040 -1.318 1.00 0.00 C ATOM 1416 O SER A 670 -24.243 -3.330 -1.856 1.00 0.00 O ATOM 1417 CB SER A 670 -23.817 -6.021 0.188 1.00 0.00 C ATOM 1418 OG SER A 670 -22.775 -5.563 1.038 1.00 0.00 O ATOM 0 H SER A 670 -21.568 -6.120 -1.206 1.00 0.00 H new ATOM 0 HA SER A 670 -24.447 -5.808 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 670 -24.776 -5.643 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 670 -23.870 -7.109 0.224 1.00 0.00 H new ATOM 0 HG SER A 670 -22.944 -5.866 1.955 1.00 0.00 H new ATOM 1424 N ARG A 671 -22.259 -3.563 -0.791 1.00 0.00 N ATOM 1425 CA ARG A 671 -21.873 -2.153 -0.890 1.00 0.00 C ATOM 1426 C ARG A 671 -23.019 -1.243 -0.438 1.00 0.00 C ATOM 1427 O ARG A 671 -23.586 -0.491 -1.235 1.00 0.00 O ATOM 1428 CB ARG A 671 -21.457 -1.799 -2.322 1.00 0.00 C ATOM 1429 CG ARG A 671 -20.888 -0.394 -2.458 1.00 0.00 C ATOM 1430 CD ARG A 671 -20.661 -0.021 -3.911 1.00 0.00 C ATOM 1431 NE ARG A 671 -20.167 1.345 -4.046 1.00 0.00 N ATOM 1432 CZ ARG A 671 -20.365 2.108 -5.119 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -21.070 1.652 -6.146 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -19.864 3.334 -5.157 1.00 0.00 N ATOM 0 H ARG A 671 -21.587 -4.141 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.019 -1.995 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -20.713 -2.519 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -22.322 -1.898 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -21.571 0.322 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -19.946 -0.328 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -19.946 -0.712 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -21.594 -0.127 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 671 -19.637 1.740 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -21.464 0.712 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -21.218 2.242 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -19.328 3.691 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -20.014 3.921 -5.978 1.00 0.00 H new ATOM 1448 N LEU A 672 -23.375 -1.324 0.834 1.00 0.00 N ATOM 1449 CA LEU A 672 -24.481 -0.540 1.355 1.00 0.00 C ATOM 1450 C LEU A 672 -23.962 0.556 2.275 1.00 0.00 C ATOM 1451 O LEU A 672 -23.915 0.338 3.505 1.00 0.00 O ATOM 1452 CB LEU A 672 -25.461 -1.453 2.106 1.00 0.00 C ATOM 1453 CG LEU A 672 -26.101 -2.556 1.257 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -26.917 -3.497 2.131 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -26.973 -1.954 0.164 1.00 0.00 C ATOM 1456 OXT LEU A 672 -23.581 1.628 1.767 1.00 0.00 O ATOM 0 H LEU A 672 -22.916 -1.922 1.521 1.00 0.00 H new ATOM 0 HA LEU A 672 -25.007 -0.071 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -24.935 -1.917 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -26.253 -0.838 2.532 1.00 0.00 H new ATOM 0 HG LEU A 672 -25.304 -3.129 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -27.364 -4.274 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -26.268 -3.957 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -27.705 -2.936 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -27.418 -2.754 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -27.763 -1.355 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -26.363 -1.322 -0.481 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 2.456 -11.591 10.965 1.00 0.00 N ATOM 1470 CA ASP B 840 2.006 -11.963 9.620 1.00 0.00 C ATOM 1471 C ASP B 840 0.982 -13.087 9.676 1.00 0.00 C ATOM 1472 O ASP B 840 1.183 -14.160 9.107 1.00 0.00 O ATOM 1473 CB ASP B 840 3.175 -12.378 8.703 1.00 0.00 C ATOM 1474 CG ASP B 840 4.091 -11.223 8.368 1.00 0.00 C ATOM 1475 OD1 ASP B 840 3.703 -10.374 7.540 1.00 0.00 O ATOM 1476 OD2 ASP B 840 5.203 -11.155 8.926 1.00 0.00 O ATOM 0 HA ASP B 840 1.543 -11.072 9.195 1.00 0.00 H new ATOM 0 HB2 ASP B 840 3.752 -13.165 9.190 1.00 0.00 H new ATOM 0 HB3 ASP B 840 2.776 -12.800 7.780 1.00 0.00 H new ATOM 1481 N ALA B 841 -0.122 -12.832 10.358 1.00 0.00 N ATOM 1482 CA ALA B 841 -1.214 -13.786 10.435 1.00 0.00 C ATOM 1483 C ALA B 841 -2.200 -13.526 9.306 1.00 0.00 C ATOM 1484 O ALA B 841 -3.392 -13.306 9.534 1.00 0.00 O ATOM 1485 CB ALA B 841 -1.904 -13.689 11.787 1.00 0.00 C ATOM 0 H ALA B 841 -0.286 -11.965 10.870 1.00 0.00 H new ATOM 0 HA ALA B 841 -0.818 -14.796 10.329 1.00 0.00 H new ATOM 0 HB1 ALA B 841 -2.721 -14.410 11.831 1.00 0.00 H new ATOM 0 HB2 ALA B 841 -1.186 -13.905 12.578 1.00 0.00 H new ATOM 0 HB3 ALA B 841 -2.300 -12.683 11.922 1.00 0.00 H new ATOM 1491 N GLY B 842 -1.688 -13.553 8.086 1.00 0.00 N ATOM 1492 CA GLY B 842 -2.478 -13.193 6.938 1.00 0.00 C ATOM 1493 C GLY B 842 -2.140 -11.797 6.467 1.00 0.00 C ATOM 1494 O GLY B 842 -2.494 -10.816 7.119 1.00 0.00 O ATOM 0 H GLY B 842 -0.727 -13.822 7.873 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.302 -13.906 6.132 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -3.537 -13.250 7.188 1.00 0.00 H new ATOM 1498 N ASN B 843 -1.442 -11.704 5.344 1.00 0.00 N ATOM 1499 CA ASN B 843 -0.999 -10.415 4.816 1.00 0.00 C ATOM 1500 C ASN B 843 -2.126 -9.700 4.079 1.00 0.00 C ATOM 1501 O ASN B 843 -1.984 -9.312 2.919 1.00 0.00 O ATOM 1502 CB ASN B 843 0.213 -10.588 3.895 1.00 0.00 C ATOM 1503 CG ASN B 843 1.533 -10.443 4.644 1.00 0.00 C ATOM 1504 OD1 ASN B 843 2.526 -9.979 4.080 1.00 0.00 O ATOM 1505 ND2 ASN B 843 1.562 -10.827 5.914 1.00 0.00 N ATOM 0 H ASN B 843 -1.168 -12.507 4.777 1.00 0.00 H new ATOM 0 HA ASN B 843 -0.704 -9.798 5.665 1.00 0.00 H new ATOM 0 HB2 ASN B 843 0.171 -11.570 3.423 1.00 0.00 H new ATOM 0 HB3 ASN B 843 0.168 -9.848 3.096 1.00 0.00 H new ATOM 0 HD21 ASN B 843 2.424 -10.742 6.453 1.00 0.00 H new ATOM 0 HD22 ASN B 843 0.722 -11.207 6.351 1.00 0.00 H new ATOM 1512 N ILE B 844 -3.248 -9.540 4.763 1.00 0.00 N ATOM 1513 CA ILE B 844 -4.384 -8.805 4.224 1.00 0.00 C ATOM 1514 C ILE B 844 -4.512 -7.473 4.951 1.00 0.00 C ATOM 1515 O ILE B 844 -4.189 -7.377 6.138 1.00 0.00 O ATOM 1516 CB ILE B 844 -5.715 -9.589 4.363 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -5.527 -11.042 3.914 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -6.807 -8.921 3.538 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -6.784 -11.880 4.018 1.00 0.00 C ATOM 0 H ILE B 844 -3.398 -9.912 5.701 1.00 0.00 H new ATOM 0 HA ILE B 844 -4.200 -8.651 3.161 1.00 0.00 H new ATOM 0 HB ILE B 844 -6.014 -9.584 5.411 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -5.179 -11.051 2.881 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -4.744 -11.501 4.518 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -7.736 -9.480 3.644 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -6.956 -7.900 3.890 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -6.511 -8.904 2.489 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -6.573 -12.896 3.683 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -7.122 -11.902 5.054 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -7.563 -11.446 3.392 1.00 0.00 H new ATOM 1531 N LEU B 845 -4.960 -6.446 4.244 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.124 -5.133 4.840 1.00 0.00 C ATOM 1533 C LEU B 845 -6.423 -5.091 5.638 1.00 0.00 C ATOM 1534 O LEU B 845 -7.430 -5.666 5.218 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.113 -4.034 3.767 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.792 -3.871 3.004 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.713 -4.831 1.824 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.618 -2.435 2.538 1.00 0.00 C ATOM 0 H LEU B 845 -5.216 -6.499 3.258 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.286 -4.948 5.512 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.905 -4.244 3.048 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.358 -3.084 4.242 1.00 0.00 H new ATOM 0 HG LEU B 845 -2.979 -4.115 3.688 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.765 -4.691 1.304 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -3.781 -5.857 2.185 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.536 -4.633 1.138 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.676 -2.339 1.999 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.442 -2.164 1.878 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -3.611 -1.770 3.402 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.392 -4.434 6.814 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.535 -4.344 7.730 1.00 0.00 C ATOM 1552 C PRO B 846 -8.848 -4.014 7.032 1.00 0.00 C ATOM 1553 O PRO B 846 -8.946 -3.044 6.276 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.139 -3.206 8.665 1.00 0.00 C ATOM 1555 CG PRO B 846 -5.655 -3.255 8.705 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.214 -3.726 7.346 1.00 0.00 C ATOM 0 HA PRO B 846 -7.721 -5.297 8.226 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.494 -2.245 8.293 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.567 -3.341 9.658 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.239 -2.273 8.931 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.309 -3.934 9.484 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -4.929 -2.890 6.707 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.349 -4.386 7.414 1.00 0.00 H new ATOM 1564 N SER B 847 -9.860 -4.819 7.342 1.00 0.00 N ATOM 1565 CA SER B 847 -11.187 -4.697 6.758 1.00 0.00 C ATOM 1566 C SER B 847 -11.736 -3.288 6.941 1.00 0.00 C ATOM 1567 O SER B 847 -12.424 -2.768 6.068 1.00 0.00 O ATOM 1568 CB SER B 847 -12.130 -5.719 7.395 1.00 0.00 C ATOM 1569 OG SER B 847 -12.118 -5.612 8.808 1.00 0.00 O ATOM 0 H SER B 847 -9.778 -5.582 8.014 1.00 0.00 H new ATOM 0 HA SER B 847 -11.113 -4.894 5.689 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.143 -5.564 7.024 1.00 0.00 H new ATOM 0 HB3 SER B 847 -11.833 -6.726 7.101 1.00 0.00 H new ATOM 0 HG SER B 847 -12.730 -6.275 9.191 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.436 -2.691 8.091 1.00 0.00 N ATOM 1576 CA ASP B 848 -11.922 -1.354 8.434 1.00 0.00 C ATOM 1577 C ASP B 848 -11.565 -0.329 7.361 1.00 0.00 C ATOM 1578 O ASP B 848 -12.418 0.443 6.932 1.00 0.00 O ATOM 1579 CB ASP B 848 -11.348 -0.901 9.779 1.00 0.00 C ATOM 1580 CG ASP B 848 -11.947 0.409 10.252 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.075 0.387 10.792 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.294 1.459 10.102 1.00 0.00 O ATOM 0 H ASP B 848 -10.851 -3.117 8.810 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.008 -1.416 8.502 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.531 -1.672 10.527 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.267 -0.792 9.691 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.308 -0.321 6.927 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.862 0.634 5.912 1.00 0.00 C ATOM 1589 C ILE B 849 -10.562 0.363 4.578 1.00 0.00 C ATOM 1590 O ILE B 849 -10.972 1.289 3.876 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.324 0.614 5.718 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.608 0.687 7.076 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.885 1.776 4.829 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.915 1.941 7.879 1.00 0.00 C ATOM 0 H ILE B 849 -9.584 -0.959 7.258 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.133 1.627 6.269 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.052 -0.323 5.231 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.885 -0.186 7.667 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.532 0.630 6.910 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.803 1.748 4.702 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.367 1.691 3.855 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.172 2.719 5.295 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.369 1.912 8.822 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.611 2.820 7.311 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.985 1.991 8.080 1.00 0.00 H new ATOM 1606 N MET B 850 -10.700 -0.917 4.241 1.00 0.00 N ATOM 1607 CA MET B 850 -11.398 -1.323 3.020 1.00 0.00 C ATOM 1608 C MET B 850 -12.869 -0.927 3.086 1.00 0.00 C ATOM 1609 O MET B 850 -13.443 -0.460 2.106 1.00 0.00 O ATOM 1610 CB MET B 850 -11.279 -2.834 2.794 1.00 0.00 C ATOM 1611 CG MET B 850 -9.941 -3.312 2.238 1.00 0.00 C ATOM 1612 SD MET B 850 -8.502 -2.812 3.211 1.00 0.00 S ATOM 1613 CE MET B 850 -8.101 -1.231 2.470 1.00 0.00 C ATOM 0 H MET B 850 -10.338 -1.693 4.796 1.00 0.00 H new ATOM 0 HA MET B 850 -10.927 -0.808 2.183 1.00 0.00 H new ATOM 0 HB2 MET B 850 -11.461 -3.341 3.742 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.069 -3.145 2.110 1.00 0.00 H new ATOM 0 HG2 MET B 850 -9.958 -4.400 2.171 1.00 0.00 H new ATOM 0 HG3 MET B 850 -9.827 -2.932 1.223 1.00 0.00 H new ATOM 0 HE1 MET B 850 -7.037 -1.030 2.595 1.00 0.00 H new ATOM 0 HE2 MET B 850 -8.344 -1.255 1.408 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.678 -0.444 2.956 1.00 0.00 H new ATOM 1623 N ASP B 851 -13.481 -1.140 4.242 1.00 0.00 N ATOM 1624 CA ASP B 851 -14.853 -0.691 4.480 1.00 0.00 C ATOM 1625 C ASP B 851 -14.948 0.825 4.383 1.00 0.00 C ATOM 1626 O ASP B 851 -15.909 1.355 3.832 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.364 -1.147 5.859 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.054 -2.495 5.813 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -17.273 -2.535 5.529 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -15.386 -3.524 6.052 1.00 0.00 O ATOM 0 H ASP B 851 -13.052 -1.621 5.033 1.00 0.00 H new ATOM 0 HA ASP B 851 -15.478 -1.143 3.710 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -14.526 -1.197 6.554 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.058 -0.402 6.249 1.00 0.00 H new ATOM 1635 N PHE B 852 -13.944 1.509 4.919 1.00 0.00 N ATOM 1636 CA PHE B 852 -13.926 2.965 4.968 1.00 0.00 C ATOM 1637 C PHE B 852 -14.058 3.574 3.569 1.00 0.00 C ATOM 1638 O PHE B 852 -14.878 4.467 3.356 1.00 0.00 O ATOM 1639 CB PHE B 852 -12.637 3.444 5.647 1.00 0.00 C ATOM 1640 CG PHE B 852 -12.713 4.833 6.220 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -13.785 5.211 7.013 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -11.703 5.753 5.987 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -13.848 6.479 7.559 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -11.764 7.022 6.528 1.00 0.00 C ATOM 1645 CZ PHE B 852 -12.837 7.386 7.316 1.00 0.00 C ATOM 0 H PHE B 852 -13.121 1.070 5.331 1.00 0.00 H new ATOM 0 HA PHE B 852 -14.784 3.300 5.551 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -12.382 2.748 6.446 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -11.824 3.408 4.922 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -14.580 4.506 7.206 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -10.858 5.474 5.375 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -14.689 6.760 8.176 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -10.972 7.730 6.334 1.00 0.00 H new ATOM 0 HZ PHE B 852 -12.885 8.378 7.741 1.00 0.00 H new ATOM 1655 N VAL B 853 -13.263 3.094 2.614 1.00 0.00 N ATOM 1656 CA VAL B 853 -13.339 3.605 1.246 1.00 0.00 C ATOM 1657 C VAL B 853 -14.686 3.271 0.593 1.00 0.00 C ATOM 1658 O VAL B 853 -15.283 4.119 -0.068 1.00 0.00 O ATOM 1659 CB VAL B 853 -12.172 3.114 0.350 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -12.017 1.604 0.401 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -12.374 3.576 -1.087 1.00 0.00 C ATOM 0 H VAL B 853 -12.568 2.362 2.759 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.248 4.688 1.329 1.00 0.00 H new ATOM 0 HB VAL B 853 -11.254 3.553 0.740 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -11.189 1.301 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -11.815 1.293 1.426 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -12.936 1.132 0.054 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -11.546 3.223 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -13.310 3.171 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -12.410 4.665 -1.117 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.164 2.044 0.787 1.00 0.00 N ATOM 1672 CA LEU B 854 -16.451 1.621 0.230 1.00 0.00 C ATOM 1673 C LEU B 854 -17.599 2.421 0.846 1.00 0.00 C ATOM 1674 O LEU B 854 -18.557 2.770 0.159 1.00 0.00 O ATOM 1675 CB LEU B 854 -16.682 0.114 0.435 1.00 0.00 C ATOM 1676 CG LEU B 854 -16.123 -0.828 -0.654 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -16.970 -0.792 -1.923 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -14.678 -0.493 -0.984 1.00 0.00 C ATOM 0 H LEU B 854 -14.681 1.324 1.325 1.00 0.00 H new ATOM 0 HA LEU B 854 -16.425 1.817 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -16.241 -0.171 1.390 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -17.755 -0.058 0.515 1.00 0.00 H new ATOM 0 HG LEU B 854 -16.163 -1.839 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -16.544 -1.468 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -17.988 -1.104 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -16.984 0.222 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -14.313 -1.173 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -14.616 0.533 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.066 -0.598 -0.088 1.00 0.00 H new ATOM 1690 N LYS B 855 -17.501 2.698 2.146 1.00 0.00 N ATOM 1691 CA LYS B 855 -18.533 3.465 2.854 1.00 0.00 C ATOM 1692 C LYS B 855 -18.614 4.891 2.306 1.00 0.00 C ATOM 1693 O LYS B 855 -19.641 5.560 2.425 1.00 0.00 O ATOM 1694 CB LYS B 855 -18.239 3.511 4.375 1.00 0.00 C ATOM 1695 CG LYS B 855 -19.280 4.259 5.237 1.00 0.00 C ATOM 1696 CD LYS B 855 -20.407 3.349 5.716 1.00 0.00 C ATOM 1697 CE LYS B 855 -21.217 2.747 4.578 1.00 0.00 C ATOM 1698 NZ LYS B 855 -22.354 1.938 5.088 1.00 0.00 N ATOM 0 H LYS B 855 -16.720 2.404 2.732 1.00 0.00 H new ATOM 0 HA LYS B 855 -19.488 2.965 2.694 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -18.159 2.488 4.742 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -17.267 3.980 4.524 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -18.782 4.700 6.101 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -19.702 5.081 4.659 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -19.984 2.544 6.318 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -21.072 3.917 6.366 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -21.595 3.544 3.937 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -20.571 2.121 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -22.728 1.343 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -22.027 1.333 5.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -23.104 2.571 5.432 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.530 5.347 1.700 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.451 6.711 1.195 1.00 0.00 C ATOM 1714 C ASN B 856 -17.538 6.740 -0.325 1.00 0.00 C ATOM 1715 O ASN B 856 -17.344 5.727 -0.993 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.150 7.379 1.654 1.00 0.00 C ATOM 1717 CG ASN B 856 -16.190 7.798 3.113 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -16.544 8.933 3.434 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.820 6.895 4.005 1.00 0.00 N ATOM 0 H ASN B 856 -16.689 4.791 1.545 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.298 7.264 1.600 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -15.319 6.691 1.501 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.957 8.254 1.034 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.821 7.129 4.998 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -15.533 5.965 3.700 1.00 0.00 H new ATOM 1726 N THR B 857 -17.851 7.902 -0.865 1.00 0.00 N ATOM 1727 CA THR B 857 -17.892 8.097 -2.301 1.00 0.00 C ATOM 1728 C THR B 857 -17.476 9.528 -2.641 1.00 0.00 C ATOM 1729 O THR B 857 -18.120 10.483 -2.202 1.00 0.00 O ATOM 1730 CB THR B 857 -19.299 7.806 -2.867 1.00 0.00 C ATOM 1731 OG1 THR B 857 -19.680 6.459 -2.560 1.00 0.00 O ATOM 1732 CG2 THR B 857 -19.337 8.013 -4.375 1.00 0.00 C ATOM 0 H THR B 857 -18.083 8.734 -0.323 1.00 0.00 H new ATOM 0 HA THR B 857 -17.194 7.396 -2.760 1.00 0.00 H new ATOM 0 HB THR B 857 -20.000 8.501 -2.404 1.00 0.00 H new ATOM 0 HG1 THR B 857 -20.574 6.282 -2.920 1.00 0.00 H new ATOM 0 HG21 THR B 857 -20.340 7.801 -4.746 1.00 0.00 H new ATOM 0 HG22 THR B 857 -19.075 9.045 -4.607 1.00 0.00 H new ATOM 0 HG23 THR B 857 -18.624 7.341 -4.853 1.00 0.00 H new ATOM 1740 N PRO B 858 -16.373 9.691 -3.393 1.00 0.00 N ATOM 1741 CA PRO B 858 -15.856 11.011 -3.770 1.00 0.00 C ATOM 1742 C PRO B 858 -16.796 11.759 -4.715 1.00 0.00 C ATOM 1743 O PRO B 858 -16.704 11.554 -5.944 1.00 0.00 O ATOM 1744 CB PRO B 858 -14.527 10.697 -4.465 1.00 0.00 C ATOM 1745 CG PRO B 858 -14.644 9.281 -4.915 1.00 0.00 C ATOM 1746 CD PRO B 858 -15.541 8.595 -3.925 1.00 0.00 C ATOM 1747 OXT PRO B 858 -17.627 12.549 -4.222 1.00 0.00 O ATOM 0 HA PRO B 858 -15.750 11.665 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -14.357 11.365 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -13.686 10.825 -3.783 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -15.061 9.226 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -13.665 8.802 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -16.149 7.825 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -14.968 8.107 -3.136 1.00 0.00 H new TER 1755 PRO B 858