USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 592 HIS :FLIP no HD1:sc= 0.558 F(o=0,f=1.2) USER MOD Set 1.2: A 640 TYR OH : rot 45:sc= 0.636 USER MOD Single : A 594 HIS : no HE2:sc= 1.04 K(o=1,f=-3.5!) USER MOD Single : A 596 THR OG1 : rot -143:sc= -0.559 USER MOD Single : A 597 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 601 SER OG : rot -45:sc= 1.19 USER MOD Single : A 602 HIS :FLIP no HE2:sc= 0.152 F(o=-0.95,f=0.15) USER MOD Single : A 605 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=-0.014) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -154:sc= -0.11 (180deg=-0.226) USER MOD Single : A 627 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-1) USER MOD Single : A 631 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 168:sc= -4.88! (180deg=-5.56!) USER MOD Single : A 642 SER OG : rot 86:sc= 0.101 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 645 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 649 TYR OH : rot -28:sc= 0.0445 USER MOD Single : A 650 TYR OH : rot 80:sc= -0.334 USER MOD Single : A 651 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.0055) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 662 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.004) USER MOD Single : B 536 SER OG : rot -26:sc= 0.062 USER MOD Single : B 540 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -55:sc= 0.641 USER MOD Single : B 548 GLN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 23.662 -4.985 4.178 1.00 25.00 N ATOM 73 CA GLY A 590 23.112 -5.928 5.151 1.00 25.00 C ATOM 74 C GLY A 590 21.646 -6.258 4.898 1.00 25.00 C ATOM 75 O GLY A 590 21.175 -7.335 5.271 1.00 25.00 O ATOM 0 HA2 GLY A 590 23.695 -6.848 5.126 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.217 -5.511 6.152 1.00 25.00 H new ATOM 79 N TRP A 591 20.936 -5.318 4.260 1.00 25.00 N ATOM 80 CA TRP A 591 19.499 -5.448 3.980 1.00 25.00 C ATOM 81 C TRP A 591 19.226 -6.237 2.692 1.00 25.00 C ATOM 82 O TRP A 591 18.219 -6.933 2.599 1.00 25.00 O ATOM 83 CB TRP A 591 18.832 -4.055 3.932 1.00 25.00 C ATOM 84 CG TRP A 591 19.306 -3.114 2.839 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.590 -2.701 2.596 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.483 -2.435 1.876 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.616 -1.835 1.530 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.337 -1.652 1.073 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.107 -2.419 1.607 1.00 25.00 C ATOM 90 CZ2 TRP A 591 18.859 -0.865 0.026 1.00 25.00 C ATOM 91 CZ3 TRP A 591 16.639 -1.635 0.569 1.00 25.00 C ATOM 92 CH2 TRP A 591 17.513 -0.869 -0.209 1.00 25.00 C ATOM 0 H TRP A 591 21.342 -4.445 3.923 1.00 25.00 H new ATOM 0 HA TRP A 591 19.057 -6.019 4.796 1.00 25.00 H new ATOM 0 HB2 TRP A 591 17.757 -4.195 3.819 1.00 25.00 H new ATOM 0 HB3 TRP A 591 18.990 -3.568 4.894 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.456 -3.012 3.161 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.452 -1.399 1.141 1.00 25.00 H new ATOM 0 HE3 TRP A 591 16.424 -3.009 2.201 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.530 -0.273 -0.579 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 15.581 -1.614 0.355 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.115 -0.268 -1.013 1.00 25.00 H new ATOM 103 N HIS A 592 20.135 -6.135 1.713 1.00 25.00 N ATOM 104 CA HIS A 592 20.004 -6.857 0.434 1.00 25.00 C ATOM 105 C HIS A 592 20.146 -8.383 0.625 1.00 25.00 C ATOM 106 O HIS A 592 19.525 -9.162 -0.104 1.00 25.00 O ATOM 107 CB HIS A 592 21.052 -6.336 -0.570 1.00 25.00 C ATOM 108 CG HIS A 592 20.895 -6.847 -1.979 1.00 25.00 C ATOM 109 ND1 HIS A 592 19.920 -6.642 -2.899 1.00 25.00 N flip ATOM 110 CD2 HIS A 592 21.823 -7.667 -2.587 1.00 25.00 C flip ATOM 111 CE1 HIS A 592 20.276 -7.333 -4.030 1.00 25.00 C flip ATOM 112 NE2 HIS A 592 21.426 -7.943 -3.818 1.00 25.00 N flip ATOM 0 H HIS A 592 20.973 -5.558 1.780 1.00 25.00 H new ATOM 0 HA HIS A 592 19.005 -6.671 0.039 1.00 25.00 H new ATOM 0 HB2 HIS A 592 21.006 -5.247 -0.587 1.00 25.00 H new ATOM 0 HB3 HIS A 592 22.044 -6.607 -0.210 1.00 25.00 H new ATOM 0 HD2 HIS A 592 22.732 -8.027 -2.129 1.00 25.00 H new ATOM 0 HE1 HIS A 592 19.706 -7.371 -4.947 1.00 25.00 H new ATOM 0 HE2 HIS A 592 21.924 -8.528 -4.489 1.00 25.00 H new ATOM 121 N GLU A 593 20.966 -8.788 1.605 1.00 25.00 N ATOM 122 CA GLU A 593 21.161 -10.209 1.932 1.00 25.00 C ATOM 123 C GLU A 593 20.123 -10.699 2.952 1.00 25.00 C ATOM 124 O GLU A 593 19.996 -11.904 3.194 1.00 25.00 O ATOM 125 CB GLU A 593 22.575 -10.442 2.471 1.00 25.00 C ATOM 126 CG GLU A 593 23.668 -10.192 1.446 1.00 25.00 C ATOM 127 CD GLU A 593 25.061 -10.408 2.009 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.179 -10.631 3.232 1.00 25.00 O ATOM 129 OE2 GLU A 593 26.033 -10.354 1.225 1.00 25.00 O ATOM 0 H GLU A 593 21.507 -8.149 2.188 1.00 25.00 H new ATOM 0 HA GLU A 593 21.028 -10.781 1.014 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.739 -9.791 3.330 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.653 -11.468 2.829 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.519 -10.854 0.593 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.585 -9.171 1.075 1.00 25.00 H new ATOM 136 N HIS A 594 19.381 -9.749 3.534 1.00 25.00 N ATOM 137 CA HIS A 594 18.360 -10.043 4.541 1.00 25.00 C ATOM 138 C HIS A 594 16.940 -9.970 3.943 1.00 25.00 C ATOM 139 O HIS A 594 16.027 -10.637 4.439 1.00 25.00 O ATOM 140 CB HIS A 594 18.540 -9.061 5.725 1.00 25.00 C ATOM 141 CG HIS A 594 19.369 -9.558 6.878 1.00 25.00 C ATOM 142 ND1 HIS A 594 20.717 -9.304 7.020 1.00 25.00 N ATOM 143 CD2 HIS A 594 19.008 -10.293 7.955 1.00 25.00 C ATOM 144 CE1 HIS A 594 21.151 -9.863 8.136 1.00 25.00 C ATOM 145 NE2 HIS A 594 20.133 -10.469 8.723 1.00 25.00 N ATOM 0 H HIS A 594 19.473 -8.756 3.319 1.00 25.00 H new ATOM 0 HA HIS A 594 18.484 -11.064 4.901 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.994 -8.146 5.345 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.553 -8.794 6.102 1.00 25.00 H new ATOM 0 HD1 HIS A 594 21.289 -8.769 6.367 1.00 25.00 H new ATOM 0 HD2 HIS A 594 18.020 -10.671 8.171 1.00 25.00 H new ATOM 0 HE1 HIS A 594 22.165 -9.830 8.506 1.00 25.00 H new ATOM 154 N VAL A 595 16.762 -9.170 2.880 1.00 25.00 N ATOM 155 CA VAL A 595 15.460 -9.041 2.213 1.00 25.00 C ATOM 156 C VAL A 595 15.303 -10.171 1.185 1.00 25.00 C ATOM 157 O VAL A 595 16.170 -10.368 0.327 1.00 25.00 O ATOM 158 CB VAL A 595 15.281 -7.635 1.534 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.147 -7.610 0.501 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.014 -6.562 2.583 1.00 25.00 C ATOM 0 H VAL A 595 17.503 -8.604 2.466 1.00 25.00 H new ATOM 0 HA VAL A 595 14.678 -9.124 2.968 1.00 25.00 H new ATOM 0 HB VAL A 595 16.216 -7.431 1.012 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.072 -6.613 0.067 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.356 -8.334 -0.286 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.206 -7.865 0.988 1.00 25.00 H new ATOM 0 HG21 VAL A 595 14.893 -5.596 2.093 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.104 -6.807 3.131 1.00 25.00 H new ATOM 0 HG23 VAL A 595 15.854 -6.514 3.277 1.00 25.00 H new ATOM 170 N THR A 596 14.190 -10.897 1.287 1.00 25.00 N ATOM 171 CA THR A 596 13.933 -12.060 0.437 1.00 25.00 C ATOM 172 C THR A 596 12.907 -11.753 -0.651 1.00 25.00 C ATOM 173 O THR A 596 12.337 -10.659 -0.700 1.00 25.00 O ATOM 174 CB THR A 596 13.417 -13.271 1.263 1.00 25.00 C ATOM 175 OG1 THR A 596 12.160 -12.954 1.875 1.00 25.00 O ATOM 176 CG2 THR A 596 14.415 -13.679 2.335 1.00 25.00 C ATOM 0 H THR A 596 13.446 -10.698 1.956 1.00 25.00 H new ATOM 0 HA THR A 596 14.889 -12.310 -0.024 1.00 25.00 H new ATOM 0 HB THR A 596 13.289 -14.108 0.576 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.116 -13.364 2.764 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.022 -14.529 2.894 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.359 -13.958 1.866 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.581 -12.843 3.015 1.00 25.00 H new ATOM 184 N GLN A 597 12.693 -12.744 -1.523 1.00 25.00 N ATOM 185 CA GLN A 597 11.560 -12.763 -2.449 1.00 25.00 C ATOM 186 C GLN A 597 10.232 -12.897 -1.661 1.00 25.00 C ATOM 187 O GLN A 597 9.157 -12.579 -2.180 1.00 25.00 O ATOM 188 CB GLN A 597 11.811 -13.901 -3.490 1.00 25.00 C ATOM 189 CG GLN A 597 13.038 -13.774 -4.401 1.00 25.00 C ATOM 190 CD GLN A 597 13.216 -14.950 -5.371 1.00 25.00 C ATOM 191 OE1 GLN A 597 12.379 -15.851 -5.423 1.00 25.00 O ATOM 192 NE2 GLN A 597 14.310 -14.944 -6.140 1.00 25.00 N ATOM 0 H GLN A 597 13.304 -13.557 -1.605 1.00 25.00 H new ATOM 0 HA GLN A 597 11.469 -11.828 -3.003 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.893 -14.842 -2.946 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.928 -13.976 -4.125 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.958 -12.851 -4.975 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.931 -13.688 -3.782 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.980 -14.179 -6.067 1.00 25.00 H new ATOM 0 HE22 GLN A 597 14.474 -15.705 -6.799 1.00 25.00 H new ATOM 201 N ASP A 598 10.339 -13.360 -0.400 1.00 25.00 N ATOM 202 CA ASP A 598 9.187 -13.531 0.486 1.00 25.00 C ATOM 203 C ASP A 598 8.783 -12.214 1.161 1.00 25.00 C ATOM 204 O ASP A 598 7.600 -12.015 1.449 1.00 25.00 O ATOM 205 CB ASP A 598 9.486 -14.588 1.554 1.00 25.00 C ATOM 206 CG ASP A 598 9.677 -15.980 0.978 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.813 -16.421 0.194 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.691 -16.629 1.313 1.00 25.00 O ATOM 0 H ASP A 598 11.228 -13.623 0.026 1.00 25.00 H new ATOM 0 HA ASP A 598 8.352 -13.862 -0.131 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.385 -14.301 2.099 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.669 -14.609 2.275 1.00 25.00 H new ATOM 213 N LEU A 599 9.762 -11.315 1.418 1.00 25.00 N ATOM 214 CA LEU A 599 9.452 -9.979 1.961 1.00 25.00 C ATOM 215 C LEU A 599 8.688 -9.132 0.945 1.00 25.00 C ATOM 216 O LEU A 599 7.685 -8.514 1.289 1.00 25.00 O ATOM 217 CB LEU A 599 10.715 -9.214 2.433 1.00 25.00 C ATOM 218 CG LEU A 599 11.456 -9.747 3.690 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.306 -8.639 4.285 1.00 25.00 C ATOM 220 CD2 LEU A 599 10.515 -10.268 4.775 1.00 25.00 C ATOM 0 H LEU A 599 10.755 -11.489 1.260 1.00 25.00 H new ATOM 0 HA LEU A 599 8.823 -10.150 2.835 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.426 -9.198 1.607 1.00 25.00 H new ATOM 0 HB3 LEU A 599 10.428 -8.180 2.626 1.00 25.00 H new ATOM 0 HG LEU A 599 12.066 -10.585 3.354 1.00 25.00 H new ATOM 0 HD11 LEU A 599 12.826 -9.013 5.167 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.036 -8.305 3.548 1.00 25.00 H new ATOM 0 HD13 LEU A 599 11.667 -7.802 4.568 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.100 -10.624 5.623 1.00 25.00 H new ATOM 0 HD22 LEU A 599 9.855 -9.464 5.101 1.00 25.00 H new ATOM 0 HD23 LEU A 599 9.918 -11.088 4.376 1.00 25.00 H new ATOM 232 N ARG A 600 9.138 -9.146 -0.320 1.00 25.00 N ATOM 233 CA ARG A 600 8.490 -8.373 -1.404 1.00 25.00 C ATOM 234 C ARG A 600 6.992 -8.693 -1.494 1.00 25.00 C ATOM 235 O ARG A 600 6.181 -7.835 -1.850 1.00 25.00 O ATOM 236 CB ARG A 600 9.150 -8.672 -2.759 1.00 25.00 C ATOM 237 CG ARG A 600 10.581 -8.174 -2.874 1.00 25.00 C ATOM 238 CD ARG A 600 11.193 -8.528 -4.221 1.00 25.00 C ATOM 239 NE ARG A 600 10.455 -7.919 -5.335 1.00 25.00 N ATOM 240 CZ ARG A 600 10.660 -6.677 -5.803 1.00 25.00 C ATOM 241 NH1 ARG A 600 11.589 -5.882 -5.271 1.00 25.00 N ATOM 242 NH2 ARG A 600 9.928 -6.230 -6.815 1.00 25.00 N ATOM 0 H ARG A 600 9.950 -9.684 -0.623 1.00 25.00 H new ATOM 0 HA ARG A 600 8.615 -7.317 -1.166 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.136 -9.749 -2.928 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.554 -8.217 -3.550 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.602 -7.093 -2.737 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.183 -8.608 -2.075 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.230 -8.194 -4.247 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.203 -9.611 -4.342 1.00 25.00 H new ATOM 0 HE ARG A 600 9.733 -8.481 -5.787 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.160 -6.214 -4.494 1.00 25.00 H new ATOM 0 HH12 ARG A 600 11.729 -4.942 -5.641 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.215 -6.828 -7.232 1.00 25.00 H new ATOM 0 HH22 ARG A 600 10.078 -5.288 -7.176 1.00 25.00 H new ATOM 256 N SER A 601 6.658 -9.946 -1.167 1.00 25.00 N ATOM 257 CA SER A 601 5.269 -10.413 -1.110 1.00 25.00 C ATOM 258 C SER A 601 4.615 -10.108 0.248 1.00 25.00 C ATOM 259 O SER A 601 3.403 -9.885 0.317 1.00 25.00 O ATOM 260 CB SER A 601 5.221 -11.924 -1.379 1.00 25.00 C ATOM 261 OG SER A 601 5.755 -12.659 -0.290 1.00 25.00 O ATOM 0 H SER A 601 7.343 -10.665 -0.934 1.00 25.00 H new ATOM 0 HA SER A 601 4.707 -9.878 -1.876 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.190 -12.231 -1.557 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.783 -12.152 -2.285 1.00 25.00 H new ATOM 0 HG SER A 601 6.587 -12.238 0.012 1.00 25.00 H new ATOM 267 N HIS A 602 5.428 -10.098 1.322 1.00 25.00 N ATOM 268 CA HIS A 602 4.929 -9.898 2.693 1.00 25.00 C ATOM 269 C HIS A 602 4.623 -8.418 2.975 1.00 25.00 C ATOM 270 O HIS A 602 3.674 -8.116 3.696 1.00 25.00 O ATOM 271 CB HIS A 602 5.946 -10.445 3.709 1.00 25.00 C ATOM 272 CG HIS A 602 5.707 -11.870 4.124 1.00 25.00 C ATOM 273 ND1 HIS A 602 5.788 -13.027 3.422 1.00 25.00 N flip ATOM 274 CD2 HIS A 602 5.330 -12.229 5.403 1.00 25.00 C flip ATOM 275 CE1 HIS A 602 5.464 -14.048 4.279 1.00 25.00 C flip ATOM 276 NE2 HIS A 602 5.192 -13.542 5.467 1.00 25.00 N flip ATOM 0 H HIS A 602 6.438 -10.227 1.264 1.00 25.00 H new ATOM 0 HA HIS A 602 3.994 -10.448 2.795 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.946 -10.367 3.281 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.929 -9.813 4.597 1.00 25.00 H new ATOM 0 HD1 HIS A 602 6.043 -13.121 2.439 1.00 25.00 H new ATOM 0 HD2 HIS A 602 5.173 -11.544 6.223 1.00 25.00 H new ATOM 0 HE1 HIS A 602 5.436 -15.097 4.023 1.00 25.00 H new ATOM 285 N LEU A 603 5.441 -7.508 2.416 1.00 25.00 N ATOM 286 CA LEU A 603 5.184 -6.066 2.467 1.00 25.00 C ATOM 287 C LEU A 603 3.894 -5.690 1.728 1.00 25.00 C ATOM 288 O LEU A 603 3.224 -4.718 2.084 1.00 25.00 O ATOM 289 CB LEU A 603 6.377 -5.328 1.837 1.00 25.00 C ATOM 290 CG LEU A 603 7.732 -5.360 2.594 1.00 25.00 C ATOM 291 CD1 LEU A 603 8.842 -4.655 1.837 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.644 -4.752 3.980 1.00 25.00 C ATOM 0 H LEU A 603 6.296 -7.756 1.918 1.00 25.00 H new ATOM 0 HA LEU A 603 5.060 -5.775 3.510 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.540 -5.743 0.842 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.092 -4.284 1.704 1.00 25.00 H new ATOM 0 HG LEU A 603 7.970 -6.420 2.680 1.00 25.00 H new ATOM 0 HD11 LEU A 603 9.766 -4.708 2.413 1.00 25.00 H new ATOM 0 HD12 LEU A 603 8.988 -5.139 0.871 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.571 -3.611 1.682 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.620 -4.802 4.462 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.331 -3.711 3.901 1.00 25.00 H new ATOM 0 HD23 LEU A 603 6.917 -5.305 4.575 1.00 25.00 H new ATOM 304 N VAL A 604 3.568 -6.482 0.700 1.00 25.00 N ATOM 305 CA VAL A 604 2.347 -6.327 -0.084 1.00 25.00 C ATOM 306 C VAL A 604 1.162 -7.001 0.638 1.00 25.00 C ATOM 307 O VAL A 604 0.013 -6.597 0.463 1.00 25.00 O ATOM 308 CB VAL A 604 2.590 -6.927 -1.501 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.341 -6.938 -2.371 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.691 -6.143 -2.201 1.00 25.00 C ATOM 0 H VAL A 604 4.155 -7.256 0.389 1.00 25.00 H new ATOM 0 HA VAL A 604 2.092 -5.273 -0.193 1.00 25.00 H new ATOM 0 HB VAL A 604 2.885 -7.967 -1.359 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.579 -7.368 -3.344 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.567 -7.536 -1.889 1.00 25.00 H new ATOM 0 HG13 VAL A 604 0.981 -5.918 -2.504 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.862 -6.562 -3.193 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.391 -5.099 -2.295 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.610 -6.206 -1.617 1.00 25.00 H new ATOM 320 N HIS A 605 1.468 -8.020 1.458 1.00 25.00 N ATOM 321 CA HIS A 605 0.467 -8.672 2.311 1.00 25.00 C ATOM 322 C HIS A 605 0.280 -7.879 3.617 1.00 25.00 C ATOM 323 O HIS A 605 -0.723 -8.041 4.316 1.00 25.00 O ATOM 324 CB HIS A 605 0.886 -10.123 2.613 1.00 25.00 C ATOM 325 CG HIS A 605 0.797 -11.053 1.432 1.00 25.00 C ATOM 326 ND1 HIS A 605 1.248 -12.357 1.463 1.00 25.00 N ATOM 327 CD2 HIS A 605 0.318 -10.856 0.177 1.00 25.00 C ATOM 328 CE1 HIS A 605 1.051 -12.920 0.283 1.00 25.00 C ATOM 329 NE2 HIS A 605 0.489 -12.030 -0.514 1.00 25.00 N ATOM 0 H HIS A 605 2.406 -8.410 1.546 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.485 -8.692 1.781 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.911 -10.123 2.984 1.00 25.00 H new ATOM 0 HB3 HIS A 605 0.257 -10.511 3.414 1.00 25.00 H new ATOM 0 HD2 HIS A 605 -0.117 -9.945 -0.207 1.00 25.00 H new ATOM 0 HE1 HIS A 605 1.306 -13.935 0.016 1.00 25.00 H new ATOM 0 HE2 HIS A 605 0.225 -12.189 -1.486 1.00 25.00 H new ATOM 338 N LYS A 606 1.270 -7.026 3.919 1.00 25.00 N ATOM 339 CA LYS A 606 1.232 -6.117 5.072 1.00 25.00 C ATOM 340 C LYS A 606 0.507 -4.823 4.673 1.00 25.00 C ATOM 341 O LYS A 606 -0.010 -4.088 5.518 1.00 25.00 O ATOM 342 CB LYS A 606 2.677 -5.825 5.525 1.00 25.00 C ATOM 343 CG LYS A 606 2.815 -4.871 6.717 1.00 25.00 C ATOM 344 CD LYS A 606 4.272 -4.477 6.971 1.00 25.00 C ATOM 345 CE LYS A 606 4.423 -3.533 8.150 1.00 25.00 C ATOM 346 NZ LYS A 606 5.842 -3.147 8.377 1.00 25.00 N ATOM 0 H LYS A 606 2.124 -6.948 3.367 1.00 25.00 H new ATOM 0 HA LYS A 606 0.690 -6.573 5.901 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.157 -6.770 5.781 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.226 -5.406 4.682 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.224 -3.974 6.534 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.407 -5.345 7.610 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.862 -5.376 7.152 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.678 -4.004 6.077 1.00 25.00 H new ATOM 0 HE2 LYS A 606 3.827 -2.637 7.976 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.029 -4.009 9.048 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.900 -2.502 9.191 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.407 -3.999 8.569 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.212 -2.670 7.530 1.00 25.00 H new ATOM 360 N LEU A 607 0.488 -4.587 3.359 1.00 25.00 N ATOM 361 CA LEU A 607 -0.105 -3.403 2.754 1.00 25.00 C ATOM 362 C LEU A 607 -1.605 -3.592 2.488 1.00 25.00 C ATOM 363 O LEU A 607 -2.412 -2.750 2.878 1.00 25.00 O ATOM 364 CB LEU A 607 0.658 -3.106 1.462 1.00 25.00 C ATOM 365 CG LEU A 607 0.440 -1.703 0.869 1.00 25.00 C ATOM 366 CD1 LEU A 607 0.056 -0.732 1.964 1.00 25.00 C ATOM 367 CD2 LEU A 607 1.694 -1.196 0.164 1.00 25.00 C ATOM 0 H LEU A 607 0.893 -5.228 2.677 1.00 25.00 H new ATOM 0 HA LEU A 607 -0.024 -2.559 3.439 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.723 -3.239 1.651 1.00 25.00 H new ATOM 0 HB3 LEU A 607 0.372 -3.846 0.714 1.00 25.00 H new ATOM 0 HG LEU A 607 -0.364 -1.774 0.136 1.00 25.00 H new ATOM 0 HD11 LEU A 607 -0.096 0.258 1.535 1.00 25.00 H new ATOM 0 HD12 LEU A 607 -0.865 -1.067 2.440 1.00 25.00 H new ATOM 0 HD13 LEU A 607 0.853 -0.687 2.706 1.00 25.00 H new ATOM 0 HD21 LEU A 607 1.506 -0.203 -0.243 1.00 25.00 H new ATOM 0 HD22 LEU A 607 2.517 -1.146 0.877 1.00 25.00 H new ATOM 0 HD23 LEU A 607 1.956 -1.877 -0.646 1.00 25.00 H new ATOM 379 N VAL A 608 -1.967 -4.723 1.854 1.00 25.00 N ATOM 380 CA VAL A 608 -3.371 -5.051 1.514 1.00 25.00 C ATOM 381 C VAL A 608 -4.237 -5.246 2.784 1.00 25.00 C ATOM 382 O VAL A 608 -5.454 -5.039 2.742 1.00 25.00 O ATOM 383 CB VAL A 608 -3.434 -6.328 0.603 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.858 -6.850 0.425 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.827 -6.044 -0.770 1.00 25.00 C ATOM 0 H VAL A 608 -1.299 -5.436 1.562 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.782 -4.206 0.962 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.854 -7.098 1.112 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.845 -7.733 -0.213 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.274 -7.112 1.398 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.473 -6.078 -0.037 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.881 -6.943 -1.385 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.381 -5.240 -1.254 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.785 -5.747 -0.653 1.00 25.00 H new ATOM 395 N GLN A 609 -3.600 -5.622 3.904 1.00 25.00 N ATOM 396 CA GLN A 609 -4.314 -5.850 5.172 1.00 25.00 C ATOM 397 C GLN A 609 -4.544 -4.531 5.928 1.00 25.00 C ATOM 398 O GLN A 609 -5.518 -4.397 6.671 1.00 25.00 O ATOM 399 CB GLN A 609 -3.579 -6.876 6.054 1.00 25.00 C ATOM 400 CG GLN A 609 -3.711 -8.304 5.573 1.00 25.00 C ATOM 401 CD GLN A 609 -2.965 -9.302 6.438 1.00 25.00 C ATOM 402 OE1 GLN A 609 -2.289 -8.927 7.398 1.00 25.00 O ATOM 403 NE2 GLN A 609 -3.075 -10.582 6.099 1.00 25.00 N ATOM 0 H GLN A 609 -2.593 -5.775 3.958 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.291 -6.266 4.927 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.522 -6.613 6.096 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -3.965 -6.808 7.071 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -4.767 -8.575 5.547 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.339 -8.371 4.551 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -3.645 -10.850 5.297 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -2.589 -11.297 6.641 1.00 25.00 H new ATOM 412 N ALA A 610 -3.629 -3.571 5.724 1.00 25.00 N ATOM 413 CA ALA A 610 -3.750 -2.233 6.302 1.00 25.00 C ATOM 414 C ALA A 610 -4.757 -1.374 5.527 1.00 25.00 C ATOM 415 O ALA A 610 -5.445 -0.536 6.114 1.00 25.00 O ATOM 416 CB ALA A 610 -2.388 -1.562 6.323 1.00 25.00 C ATOM 0 H ALA A 610 -2.792 -3.703 5.157 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.122 -2.333 7.322 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.480 -0.565 6.754 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.699 -2.155 6.925 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -2.005 -1.483 5.305 1.00 25.00 H new ATOM 422 N ILE A 611 -4.848 -1.609 4.208 1.00 25.00 N ATOM 423 CA ILE A 611 -5.767 -0.862 3.336 1.00 25.00 C ATOM 424 C ILE A 611 -7.200 -1.410 3.487 1.00 25.00 C ATOM 425 O ILE A 611 -8.125 -0.653 3.795 1.00 25.00 O ATOM 426 CB ILE A 611 -5.306 -0.905 1.837 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.921 -0.245 1.685 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.322 -0.193 0.938 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.307 -0.334 0.293 1.00 25.00 C ATOM 0 H ILE A 611 -4.294 -2.313 3.721 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.754 0.183 3.646 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.239 -1.949 1.531 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.005 0.806 1.960 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.236 -0.707 2.396 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.983 -0.234 -0.097 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.291 -0.685 1.023 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.416 0.848 1.248 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.335 0.160 0.292 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -3.183 -1.381 0.016 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.963 0.156 -0.426 1.00 25.00 H new ATOM 441 N PHE A 612 -7.367 -2.724 3.265 1.00 25.00 N ATOM 442 CA PHE A 612 -8.645 -3.394 3.471 1.00 25.00 C ATOM 443 C PHE A 612 -8.434 -4.765 4.160 1.00 25.00 C ATOM 444 O PHE A 612 -8.000 -5.719 3.503 1.00 25.00 O ATOM 445 CB PHE A 612 -9.381 -3.551 2.120 1.00 25.00 C ATOM 446 CG PHE A 612 -10.794 -4.064 2.239 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.836 -3.188 2.479 1.00 25.00 C ATOM 448 CD2 PHE A 612 -11.074 -5.414 2.103 1.00 25.00 C ATOM 449 CE1 PHE A 612 -13.136 -3.644 2.580 1.00 25.00 C ATOM 450 CE2 PHE A 612 -12.371 -5.881 2.203 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.405 -4.993 2.440 1.00 25.00 C ATOM 0 H PHE A 612 -6.622 -3.340 2.941 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.265 -2.785 4.129 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.399 -2.585 1.615 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.812 -4.231 1.487 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.631 -2.133 2.589 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -10.269 -6.110 1.917 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.940 -2.948 2.768 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.577 -6.936 2.096 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.420 -5.353 2.516 1.00 25.00 H new ATOM 461 N PRO A 613 -8.719 -4.893 5.499 1.00 25.00 N ATOM 462 CA PRO A 613 -8.676 -6.191 6.198 1.00 25.00 C ATOM 463 C PRO A 613 -9.929 -7.039 5.942 1.00 25.00 C ATOM 464 O PRO A 613 -11.052 -6.524 5.983 1.00 25.00 O ATOM 465 CB PRO A 613 -8.584 -5.815 7.691 1.00 25.00 C ATOM 466 CG PRO A 613 -9.251 -4.482 7.832 1.00 25.00 C ATOM 467 CD PRO A 613 -9.064 -3.813 6.447 1.00 25.00 C ATOM 0 HA PRO A 613 -7.840 -6.798 5.850 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -9.077 -6.564 8.311 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.545 -5.766 8.016 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.306 -4.590 8.083 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.794 -3.890 8.625 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.976 -3.302 6.137 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.275 -3.062 6.483 1.00 25.00 H new ATOM 475 N THR A 614 -9.726 -8.337 5.673 1.00 25.00 N ATOM 476 CA THR A 614 -10.834 -9.262 5.411 1.00 25.00 C ATOM 477 C THR A 614 -10.480 -10.712 5.807 1.00 25.00 C ATOM 478 O THR A 614 -9.444 -11.236 5.390 1.00 25.00 O ATOM 479 CB THR A 614 -11.332 -9.211 3.935 1.00 25.00 C ATOM 480 OG1 THR A 614 -12.268 -10.271 3.684 1.00 25.00 O ATOM 481 CG2 THR A 614 -10.187 -9.293 2.935 1.00 25.00 C ATOM 0 H THR A 614 -8.803 -8.769 5.632 1.00 25.00 H new ATOM 0 HA THR A 614 -11.655 -8.922 6.043 1.00 25.00 H new ATOM 0 HB THR A 614 -11.823 -8.247 3.800 1.00 25.00 H new ATOM 0 HG1 THR A 614 -12.573 -10.225 2.754 1.00 25.00 H new ATOM 0 HG21 THR A 614 -10.586 -9.254 1.921 1.00 25.00 H new ATOM 0 HG22 THR A 614 -9.507 -8.455 3.091 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.647 -10.229 3.076 1.00 25.00 H new ATOM 489 N PRO A 615 -11.352 -11.370 6.639 1.00 25.00 N ATOM 490 CA PRO A 615 -11.237 -12.807 6.996 1.00 25.00 C ATOM 491 C PRO A 615 -11.039 -13.748 5.798 1.00 25.00 C ATOM 492 O PRO A 615 -10.086 -14.529 5.763 1.00 25.00 O ATOM 493 CB PRO A 615 -12.588 -13.098 7.646 1.00 25.00 C ATOM 494 CG PRO A 615 -12.984 -11.814 8.274 1.00 25.00 C ATOM 495 CD PRO A 615 -12.498 -10.740 7.349 1.00 25.00 C ATOM 0 HA PRO A 615 -10.361 -12.980 7.621 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -13.322 -13.421 6.908 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -12.509 -13.894 8.387 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -14.065 -11.759 8.403 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -12.539 -11.709 9.263 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -13.277 -10.430 6.653 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -12.188 -9.851 7.898 1.00 25.00 H new ATOM 503 N ASP A 616 -11.962 -13.661 4.832 1.00 25.00 N ATOM 504 CA ASP A 616 -11.970 -14.532 3.646 1.00 25.00 C ATOM 505 C ASP A 616 -10.862 -14.167 2.638 1.00 25.00 C ATOM 506 O ASP A 616 -10.864 -13.059 2.090 1.00 25.00 O ATOM 507 CB ASP A 616 -13.337 -14.479 2.949 1.00 25.00 C ATOM 508 CG ASP A 616 -13.510 -15.567 1.902 1.00 25.00 C ATOM 509 OD1 ASP A 616 -12.577 -16.378 1.729 1.00 25.00 O ATOM 510 OD2 ASP A 616 -14.580 -15.606 1.258 1.00 25.00 O ATOM 0 H ASP A 616 -12.726 -12.985 4.849 1.00 25.00 H new ATOM 0 HA ASP A 616 -11.775 -15.544 4.000 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -14.124 -14.573 3.697 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.461 -13.504 2.477 1.00 25.00 H new ATOM 515 N PRO A 617 -9.880 -15.096 2.388 1.00 25.00 N ATOM 516 CA PRO A 617 -8.849 -14.913 1.333 1.00 25.00 C ATOM 517 C PRO A 617 -9.417 -14.924 -0.102 1.00 25.00 C ATOM 518 O PRO A 617 -8.708 -14.588 -1.056 1.00 25.00 O ATOM 519 CB PRO A 617 -7.916 -16.116 1.539 1.00 25.00 C ATOM 520 CG PRO A 617 -8.774 -17.162 2.160 1.00 25.00 C ATOM 521 CD PRO A 617 -9.651 -16.364 3.139 1.00 25.00 C ATOM 0 HA PRO A 617 -8.365 -13.941 1.425 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -7.498 -16.458 0.593 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -7.076 -15.859 2.184 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -9.375 -17.684 1.415 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -8.179 -17.916 2.675 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -10.585 -16.880 3.363 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -9.147 -16.190 4.089 1.00 25.00 H new ATOM 529 N ALA A 618 -10.698 -15.309 -0.237 1.00 25.00 N ATOM 530 CA ALA A 618 -11.368 -15.412 -1.544 1.00 25.00 C ATOM 531 C ALA A 618 -11.682 -14.039 -2.157 1.00 25.00 C ATOM 532 O ALA A 618 -12.032 -13.947 -3.340 1.00 25.00 O ATOM 533 CB ALA A 618 -12.644 -16.233 -1.407 1.00 25.00 C ATOM 0 H ALA A 618 -11.295 -15.556 0.552 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.678 -15.911 -2.224 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -13.136 -16.306 -2.377 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.397 -17.233 -1.049 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.314 -15.749 -0.696 1.00 25.00 H new ATOM 539 N ALA A 619 -11.547 -12.979 -1.348 1.00 25.00 N ATOM 540 CA ALA A 619 -11.768 -11.601 -1.803 1.00 25.00 C ATOM 541 C ALA A 619 -10.528 -11.023 -2.496 1.00 25.00 C ATOM 542 O ALA A 619 -10.613 -10.000 -3.183 1.00 25.00 O ATOM 543 CB ALA A 619 -12.153 -10.719 -0.625 1.00 25.00 C ATOM 0 H ALA A 619 -11.283 -13.053 -0.365 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.580 -11.622 -2.530 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.315 -9.699 -0.972 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -13.069 -11.098 -0.171 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.351 -10.728 0.114 1.00 25.00 H new ATOM 549 N LEU A 620 -9.383 -11.695 -2.311 1.00 25.00 N ATOM 550 CA LEU A 620 -8.101 -11.231 -2.839 1.00 25.00 C ATOM 551 C LEU A 620 -7.897 -11.637 -4.310 1.00 25.00 C ATOM 552 O LEU A 620 -6.930 -11.208 -4.949 1.00 25.00 O ATOM 553 CB LEU A 620 -6.958 -11.801 -1.982 1.00 25.00 C ATOM 554 CG LEU A 620 -6.908 -11.346 -0.510 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.734 -12.000 0.202 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.798 -9.826 -0.399 1.00 25.00 C ATOM 0 H LEU A 620 -9.324 -12.572 -1.793 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.100 -10.142 -2.796 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -7.028 -12.889 -2.001 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -6.012 -11.534 -2.454 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.839 -11.655 -0.035 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.709 -11.671 1.241 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.845 -13.084 0.167 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.805 -11.715 -0.291 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.765 -9.539 0.652 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.888 -9.490 -0.895 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.663 -9.363 -0.874 1.00 25.00 H new ATOM 568 N LYS A 621 -8.820 -12.454 -4.838 1.00 25.00 N ATOM 569 CA LYS A 621 -8.734 -12.956 -6.213 1.00 25.00 C ATOM 570 C LYS A 621 -9.768 -12.249 -7.113 1.00 25.00 C ATOM 571 O LYS A 621 -10.044 -12.688 -8.236 1.00 25.00 O ATOM 572 CB LYS A 621 -8.939 -14.491 -6.211 1.00 25.00 C ATOM 573 CG LYS A 621 -7.891 -15.306 -5.434 1.00 25.00 C ATOM 574 CD LYS A 621 -6.490 -15.190 -6.029 1.00 25.00 C ATOM 575 CE LYS A 621 -5.491 -16.007 -5.242 1.00 25.00 C ATOM 576 NZ LYS A 621 -4.094 -15.843 -5.740 1.00 25.00 N ATOM 0 H LYS A 621 -9.640 -12.782 -4.327 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.747 -12.738 -6.620 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -9.922 -14.707 -5.793 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -8.949 -14.839 -7.244 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -7.870 -14.968 -4.398 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -8.189 -16.354 -5.421 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -6.503 -15.528 -7.065 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -6.182 -14.145 -6.038 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -5.535 -15.715 -4.193 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -5.769 -17.060 -5.292 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -3.450 -16.424 -5.166 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -4.042 -16.147 -6.733 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -3.815 -14.844 -5.668 1.00 25.00 H new ATOM 590 N ASP A 622 -10.317 -11.135 -6.609 1.00 25.00 N ATOM 591 CA ASP A 622 -11.360 -10.379 -7.308 1.00 25.00 C ATOM 592 C ASP A 622 -10.760 -9.487 -8.412 1.00 25.00 C ATOM 593 O ASP A 622 -9.546 -9.262 -8.443 1.00 25.00 O ATOM 594 CB ASP A 622 -12.146 -9.543 -6.283 1.00 25.00 C ATOM 595 CG ASP A 622 -13.545 -9.172 -6.755 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.907 -9.543 -7.891 1.00 25.00 O ATOM 597 OD2 ASP A 622 -14.276 -8.512 -5.987 1.00 25.00 O ATOM 0 H ASP A 622 -10.051 -10.736 -5.709 1.00 25.00 H new ATOM 0 HA ASP A 622 -12.039 -11.076 -7.799 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -12.221 -10.101 -5.350 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.590 -8.631 -6.065 1.00 25.00 H new ATOM 602 N ARG A 623 -11.622 -8.986 -9.308 1.00 25.00 N ATOM 603 CA ARG A 623 -11.197 -8.164 -10.450 1.00 25.00 C ATOM 604 C ARG A 623 -10.753 -6.755 -10.004 1.00 25.00 C ATOM 605 O ARG A 623 -9.632 -6.330 -10.303 1.00 25.00 O ATOM 606 CB ARG A 623 -12.354 -8.091 -11.477 1.00 25.00 C ATOM 607 CG ARG A 623 -12.631 -9.378 -12.265 1.00 25.00 C ATOM 608 CD ARG A 623 -13.578 -9.155 -13.443 1.00 25.00 C ATOM 609 NE ARG A 623 -14.926 -8.755 -13.016 1.00 25.00 N ATOM 610 CZ ARG A 623 -15.896 -9.605 -12.647 1.00 25.00 C ATOM 611 NH1 ARG A 623 -15.703 -10.923 -12.664 1.00 25.00 N ATOM 612 NH2 ARG A 623 -17.072 -9.129 -12.261 1.00 25.00 N ATOM 0 H ARG A 623 -12.630 -9.138 -9.262 1.00 25.00 H new ATOM 0 HA ARG A 623 -10.329 -8.629 -10.917 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -13.265 -7.807 -10.950 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -12.135 -7.293 -12.187 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.689 -9.784 -12.633 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -13.059 -10.124 -11.596 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -13.165 -8.387 -14.096 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -13.644 -10.071 -14.030 1.00 25.00 H new ATOM 0 HE ARG A 623 -15.140 -7.758 -12.999 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -14.804 -11.303 -12.962 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -16.454 -11.552 -12.379 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -17.235 -8.122 -12.246 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -17.814 -9.770 -11.979 1.00 25.00 H new ATOM 626 N ARG A 624 -11.637 -6.053 -9.280 1.00 25.00 N ATOM 627 CA ARG A 624 -11.387 -4.670 -8.833 1.00 25.00 C ATOM 628 C ARG A 624 -10.286 -4.577 -7.765 1.00 25.00 C ATOM 629 O ARG A 624 -9.614 -3.546 -7.658 1.00 25.00 O ATOM 630 CB ARG A 624 -12.683 -4.041 -8.287 1.00 25.00 C ATOM 631 CG ARG A 624 -13.686 -3.593 -9.355 1.00 25.00 C ATOM 632 CD ARG A 624 -14.871 -2.836 -8.761 1.00 25.00 C ATOM 633 NE ARG A 624 -15.830 -2.421 -9.792 1.00 25.00 N ATOM 634 CZ ARG A 624 -16.931 -1.688 -9.564 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.239 -1.268 -8.338 1.00 25.00 N ATOM 636 NH2 ARG A 624 -17.729 -1.376 -10.575 1.00 25.00 N ATOM 0 H ARG A 624 -12.541 -6.423 -8.988 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.042 -4.120 -9.708 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.171 -4.763 -7.632 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.420 -3.180 -7.673 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.179 -2.957 -10.081 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.051 -4.466 -9.896 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.375 -3.468 -8.030 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -14.509 -1.957 -8.227 1.00 25.00 H new ATOM 0 HE ARG A 624 -15.646 -2.711 -10.752 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -16.633 -1.502 -7.551 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -18.080 -0.712 -8.186 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -17.505 -1.693 -11.518 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -18.568 -0.819 -10.410 1.00 25.00 H new ATOM 650 N MET A 625 -10.097 -5.656 -6.989 1.00 25.00 N ATOM 651 CA MET A 625 -9.114 -5.671 -5.895 1.00 25.00 C ATOM 652 C MET A 625 -7.686 -5.874 -6.420 1.00 25.00 C ATOM 653 O MET A 625 -6.743 -5.264 -5.906 1.00 25.00 O ATOM 654 CB MET A 625 -9.463 -6.770 -4.879 1.00 25.00 C ATOM 655 CG MET A 625 -8.436 -6.926 -3.757 1.00 25.00 C ATOM 656 SD MET A 625 -8.345 -5.469 -2.696 1.00 25.00 S ATOM 657 CE MET A 625 -8.591 -6.204 -1.085 1.00 25.00 C ATOM 0 H MET A 625 -10.612 -6.529 -7.099 1.00 25.00 H new ATOM 0 HA MET A 625 -9.155 -4.700 -5.402 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.436 -6.549 -4.440 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.559 -7.720 -5.405 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.692 -7.796 -3.153 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.455 -7.117 -4.191 1.00 25.00 H new ATOM 0 HE1 MET A 625 -9.014 -5.462 -0.407 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.275 -7.048 -1.171 1.00 25.00 H new ATOM 0 HE3 MET A 625 -7.635 -6.550 -0.693 1.00 25.00 H new ATOM 667 N GLU A 626 -7.542 -6.737 -7.435 1.00 25.00 N ATOM 668 CA GLU A 626 -6.242 -7.029 -8.065 1.00 25.00 C ATOM 669 C GLU A 626 -5.557 -5.751 -8.608 1.00 25.00 C ATOM 670 O GLU A 626 -4.341 -5.738 -8.821 1.00 25.00 O ATOM 671 CB GLU A 626 -6.427 -8.065 -9.187 1.00 25.00 C ATOM 672 CG GLU A 626 -6.297 -9.517 -8.725 1.00 25.00 C ATOM 673 CD GLU A 626 -4.905 -10.080 -8.938 1.00 25.00 C ATOM 674 OE1 GLU A 626 -4.698 -10.782 -9.951 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.026 -9.822 -8.092 1.00 25.00 O ATOM 0 H GLU A 626 -8.321 -7.253 -7.844 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.585 -7.440 -7.299 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -7.410 -7.925 -9.637 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -5.689 -7.876 -9.967 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -6.552 -9.581 -7.667 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -7.019 -10.131 -9.264 1.00 25.00 H new ATOM 682 N ASN A 627 -6.354 -4.690 -8.820 1.00 25.00 N ATOM 683 CA ASN A 627 -5.856 -3.409 -9.337 1.00 25.00 C ATOM 684 C ASN A 627 -5.020 -2.649 -8.285 1.00 25.00 C ATOM 685 O ASN A 627 -4.037 -1.992 -8.642 1.00 25.00 O ATOM 686 CB ASN A 627 -7.042 -2.547 -9.813 1.00 25.00 C ATOM 687 CG ASN A 627 -7.676 -3.037 -11.112 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.057 -3.765 -11.893 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.919 -2.635 -11.347 1.00 25.00 N ATOM 0 H ASN A 627 -7.358 -4.698 -8.638 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.197 -3.617 -10.180 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.803 -2.529 -9.032 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.701 -1.521 -9.950 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.397 -2.928 -12.199 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.396 -2.033 -10.676 1.00 25.00 H new ATOM 696 N LEU A 628 -5.410 -2.744 -6.998 1.00 25.00 N ATOM 697 CA LEU A 628 -4.659 -2.085 -5.916 1.00 25.00 C ATOM 698 C LEU A 628 -3.521 -2.990 -5.423 1.00 25.00 C ATOM 699 O LEU A 628 -2.495 -2.500 -4.943 1.00 25.00 O ATOM 700 CB LEU A 628 -5.606 -1.589 -4.772 1.00 25.00 C ATOM 701 CG LEU A 628 -6.902 -0.816 -5.126 1.00 25.00 C ATOM 702 CD1 LEU A 628 -8.108 -1.364 -4.378 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.744 0.646 -4.772 1.00 25.00 C ATOM 0 H LEU A 628 -6.230 -3.264 -6.687 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.192 -1.184 -6.313 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.897 -2.463 -4.189 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -5.016 -0.950 -4.115 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.068 -0.937 -6.197 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.996 -0.795 -4.654 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -8.253 -2.412 -4.639 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -7.940 -1.277 -3.304 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -7.659 1.182 -5.024 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -6.549 0.743 -3.704 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.910 1.068 -5.333 1.00 25.00 H new ATOM 715 N VAL A 629 -3.720 -4.315 -5.541 1.00 25.00 N ATOM 716 CA VAL A 629 -2.659 -5.312 -5.300 1.00 25.00 C ATOM 717 C VAL A 629 -1.439 -5.008 -6.191 1.00 25.00 C ATOM 718 O VAL A 629 -0.291 -5.246 -5.804 1.00 25.00 O ATOM 719 CB VAL A 629 -3.196 -6.756 -5.580 1.00 25.00 C ATOM 720 CG1 VAL A 629 -2.076 -7.795 -5.683 1.00 25.00 C ATOM 721 CG2 VAL A 629 -4.199 -7.170 -4.505 1.00 25.00 C ATOM 0 H VAL A 629 -4.616 -4.724 -5.805 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.352 -5.256 -4.256 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.693 -6.723 -6.550 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.507 -8.777 -5.878 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.404 -7.526 -6.498 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.518 -7.823 -4.747 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.562 -8.176 -4.715 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.713 -7.156 -3.529 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -5.038 -6.474 -4.503 1.00 25.00 H new ATOM 731 N ALA A 630 -1.732 -4.473 -7.376 1.00 25.00 N ATOM 732 CA ALA A 630 -0.720 -4.068 -8.339 1.00 25.00 C ATOM 733 C ALA A 630 -0.157 -2.676 -8.011 1.00 25.00 C ATOM 734 O ALA A 630 0.924 -2.309 -8.478 1.00 25.00 O ATOM 735 CB ALA A 630 -1.327 -4.107 -9.728 1.00 25.00 C ATOM 0 H ALA A 630 -2.688 -4.309 -7.693 1.00 25.00 H new ATOM 0 HA ALA A 630 0.120 -4.761 -8.292 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.579 -3.805 -10.461 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.664 -5.120 -9.949 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.175 -3.424 -9.774 1.00 25.00 H new ATOM 741 N TYR A 631 -0.912 -1.917 -7.199 1.00 25.00 N ATOM 742 CA TYR A 631 -0.472 -0.616 -6.676 1.00 25.00 C ATOM 743 C TYR A 631 0.552 -0.796 -5.541 1.00 25.00 C ATOM 744 O TYR A 631 1.494 -0.010 -5.423 1.00 25.00 O ATOM 745 CB TYR A 631 -1.708 0.193 -6.199 1.00 25.00 C ATOM 746 CG TYR A 631 -2.588 0.784 -7.299 1.00 25.00 C ATOM 747 CD1 TYR A 631 -3.917 1.128 -7.063 1.00 25.00 C ATOM 748 CD2 TYR A 631 -2.077 0.979 -8.580 1.00 25.00 C ATOM 749 CE1 TYR A 631 -4.710 1.646 -8.069 1.00 25.00 C ATOM 750 CE2 TYR A 631 -2.867 1.499 -9.589 1.00 25.00 C ATOM 751 CZ TYR A 631 -4.181 1.829 -9.329 1.00 25.00 C ATOM 752 OH TYR A 631 -4.968 2.345 -10.333 1.00 25.00 O ATOM 0 H TYR A 631 -1.844 -2.190 -6.888 1.00 25.00 H new ATOM 0 HA TYR A 631 0.025 -0.061 -7.471 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.325 -0.457 -5.578 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.361 1.007 -5.563 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -4.335 0.987 -6.077 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.049 0.720 -8.788 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -5.739 1.906 -7.869 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -2.457 1.646 -10.577 1.00 25.00 H new ATOM 0 HH TYR A 631 -4.444 2.412 -11.158 1.00 25.00 H new ATOM 762 N ALA A 632 0.348 -1.827 -4.712 1.00 25.00 N ATOM 763 CA ALA A 632 1.248 -2.117 -3.592 1.00 25.00 C ATOM 764 C ALA A 632 2.449 -2.958 -4.040 1.00 25.00 C ATOM 765 O ALA A 632 3.507 -2.932 -3.404 1.00 25.00 O ATOM 766 CB ALA A 632 0.493 -2.817 -2.476 1.00 25.00 C ATOM 0 H ALA A 632 -0.435 -2.475 -4.797 1.00 25.00 H new ATOM 0 HA ALA A 632 1.631 -1.168 -3.216 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.174 -3.026 -1.651 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.315 -2.175 -2.125 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.077 -3.753 -2.849 1.00 25.00 H new ATOM 772 N LYS A 633 2.269 -3.703 -5.144 1.00 25.00 N ATOM 773 CA LYS A 633 3.324 -4.535 -5.732 1.00 25.00 C ATOM 774 C LYS A 633 4.481 -3.692 -6.295 1.00 25.00 C ATOM 775 O LYS A 633 5.631 -4.137 -6.307 1.00 25.00 O ATOM 776 CB LYS A 633 2.715 -5.392 -6.857 1.00 25.00 C ATOM 777 CG LYS A 633 2.179 -6.757 -6.423 1.00 25.00 C ATOM 778 CD LYS A 633 1.593 -7.531 -7.592 1.00 25.00 C ATOM 779 CE LYS A 633 1.510 -9.021 -7.301 1.00 25.00 C ATOM 780 NZ LYS A 633 0.741 -9.749 -8.346 1.00 25.00 N ATOM 0 H LYS A 633 1.385 -3.743 -5.652 1.00 25.00 H new ATOM 0 HA LYS A 633 3.734 -5.167 -4.945 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.902 -4.831 -7.319 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.473 -5.545 -7.625 1.00 25.00 H new ATOM 0 HG2 LYS A 633 2.984 -7.336 -5.970 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.415 -6.621 -5.658 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.597 -7.149 -7.818 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.205 -7.368 -8.479 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.516 -9.435 -7.237 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.039 -9.175 -6.330 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.708 -10.761 -8.110 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.227 -9.372 -8.390 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 1.204 -9.623 -9.269 1.00 25.00 H new ATOM 794 N LYS A 634 4.151 -2.486 -6.770 1.00 25.00 N ATOM 795 CA LYS A 634 5.112 -1.580 -7.382 1.00 25.00 C ATOM 796 C LYS A 634 5.839 -0.669 -6.373 1.00 25.00 C ATOM 797 O LYS A 634 6.953 -0.213 -6.657 1.00 25.00 O ATOM 798 CB LYS A 634 4.419 -0.735 -8.457 1.00 25.00 C ATOM 799 CG LYS A 634 3.640 0.450 -7.909 1.00 25.00 C ATOM 800 CD LYS A 634 2.891 1.219 -8.998 1.00 25.00 C ATOM 801 CE LYS A 634 2.270 2.515 -8.473 1.00 25.00 C ATOM 802 NZ LYS A 634 1.492 3.233 -9.523 1.00 25.00 N ATOM 0 H LYS A 634 3.202 -2.115 -6.737 1.00 25.00 H new ATOM 0 HA LYS A 634 5.883 -2.206 -7.832 1.00 25.00 H new ATOM 0 HB2 LYS A 634 5.170 -0.370 -9.157 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.740 -1.372 -9.023 1.00 25.00 H new ATOM 0 HG2 LYS A 634 2.927 0.097 -7.163 1.00 25.00 H new ATOM 0 HG3 LYS A 634 4.326 1.126 -7.399 1.00 25.00 H new ATOM 0 HD2 LYS A 634 3.577 1.452 -9.812 1.00 25.00 H new ATOM 0 HD3 LYS A 634 2.107 0.585 -9.413 1.00 25.00 H new ATOM 0 HE2 LYS A 634 1.616 2.287 -7.631 1.00 25.00 H new ATOM 0 HE3 LYS A 634 3.058 3.167 -8.098 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 1.090 4.104 -9.122 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 2.120 3.474 -10.316 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 0.723 2.622 -9.864 1.00 25.00 H new ATOM 816 N VAL A 635 5.224 -0.409 -5.202 1.00 25.00 N ATOM 817 CA VAL A 635 5.749 0.606 -4.265 1.00 25.00 C ATOM 818 C VAL A 635 7.078 0.183 -3.601 1.00 25.00 C ATOM 819 O VAL A 635 8.052 0.932 -3.667 1.00 25.00 O ATOM 820 CB VAL A 635 4.706 1.066 -3.187 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.410 1.667 -1.975 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.662 2.047 -3.726 1.00 25.00 C ATOM 0 H VAL A 635 4.376 -0.879 -4.885 1.00 25.00 H new ATOM 0 HA VAL A 635 5.956 1.473 -4.892 1.00 25.00 H new ATOM 0 HB VAL A 635 4.167 0.166 -2.890 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.667 1.979 -1.241 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.069 0.921 -1.530 1.00 25.00 H new ATOM 0 HG13 VAL A 635 5.997 2.531 -2.287 1.00 25.00 H new ATOM 0 HG21 VAL A 635 2.974 2.322 -2.926 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.161 2.941 -4.099 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.106 1.577 -4.537 1.00 25.00 H new ATOM 832 N GLU A 636 7.126 -1.026 -3.006 1.00 25.00 N ATOM 833 CA GLU A 636 8.345 -1.517 -2.317 1.00 25.00 C ATOM 834 C GLU A 636 9.539 -1.703 -3.272 1.00 25.00 C ATOM 835 O GLU A 636 10.692 -1.731 -2.828 1.00 25.00 O ATOM 836 CB GLU A 636 8.085 -2.812 -1.507 1.00 25.00 C ATOM 837 CG GLU A 636 7.685 -4.035 -2.320 1.00 25.00 C ATOM 838 CD GLU A 636 8.865 -4.797 -2.902 1.00 25.00 C ATOM 839 OE1 GLU A 636 10.005 -4.555 -2.458 1.00 25.00 O ATOM 840 OE2 GLU A 636 8.647 -5.633 -3.805 1.00 25.00 O ATOM 0 H GLU A 636 6.343 -1.679 -2.986 1.00 25.00 H new ATOM 0 HA GLU A 636 8.614 -0.731 -1.611 1.00 25.00 H new ATOM 0 HB2 GLU A 636 8.987 -3.053 -0.944 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.299 -2.611 -0.779 1.00 25.00 H new ATOM 0 HG2 GLU A 636 7.107 -4.708 -1.687 1.00 25.00 H new ATOM 0 HG3 GLU A 636 7.030 -3.721 -3.133 1.00 25.00 H new ATOM 847 N GLY A 637 9.249 -1.824 -4.578 1.00 25.00 N ATOM 848 CA GLY A 637 10.299 -1.896 -5.595 1.00 25.00 C ATOM 849 C GLY A 637 10.927 -0.538 -5.892 1.00 25.00 C ATOM 850 O GLY A 637 12.074 -0.466 -6.341 1.00 25.00 O ATOM 0 H GLY A 637 8.300 -1.873 -4.948 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.075 -2.585 -5.262 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.881 -2.307 -6.514 1.00 25.00 H new ATOM 854 N ASP A 638 10.163 0.536 -5.637 1.00 25.00 N ATOM 855 CA ASP A 638 10.647 1.914 -5.792 1.00 25.00 C ATOM 856 C ASP A 638 11.333 2.398 -4.499 1.00 25.00 C ATOM 857 O ASP A 638 12.111 3.356 -4.521 1.00 25.00 O ATOM 858 CB ASP A 638 9.473 2.838 -6.162 1.00 25.00 C ATOM 859 CG ASP A 638 8.958 2.619 -7.578 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.652 1.942 -8.364 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.862 3.127 -7.896 1.00 25.00 O ATOM 0 H ASP A 638 9.196 0.473 -5.319 1.00 25.00 H new ATOM 0 HA ASP A 638 11.385 1.941 -6.594 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.657 2.678 -5.457 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.788 3.876 -6.054 1.00 25.00 H new ATOM 866 N MET A 639 11.032 1.714 -3.381 1.00 25.00 N ATOM 867 CA MET A 639 11.628 2.013 -2.068 1.00 25.00 C ATOM 868 C MET A 639 13.111 1.620 -2.000 1.00 25.00 C ATOM 869 O MET A 639 13.862 2.147 -1.175 1.00 25.00 O ATOM 870 CB MET A 639 10.862 1.275 -0.973 1.00 25.00 C ATOM 871 CG MET A 639 9.470 1.824 -0.712 1.00 25.00 C ATOM 872 SD MET A 639 8.523 0.857 0.474 1.00 25.00 S ATOM 873 CE MET A 639 9.822 -0.174 1.121 1.00 25.00 C ATOM 0 H MET A 639 10.369 0.939 -3.363 1.00 25.00 H new ATOM 0 HA MET A 639 11.560 3.091 -1.919 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.781 0.223 -1.247 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.438 1.320 -0.049 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.555 2.848 -0.348 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.923 1.865 -1.654 1.00 25.00 H new ATOM 0 HE1 MET A 639 9.467 -0.688 2.014 1.00 25.00 H new ATOM 0 HE2 MET A 639 10.111 -0.909 0.370 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.684 0.443 1.376 1.00 25.00 H new ATOM 883 N TYR A 640 13.519 0.691 -2.880 1.00 25.00 N ATOM 884 CA TYR A 640 14.890 0.160 -2.910 1.00 25.00 C ATOM 885 C TYR A 640 15.878 1.180 -3.496 1.00 25.00 C ATOM 886 O TYR A 640 17.053 1.202 -3.119 1.00 25.00 O ATOM 887 CB TYR A 640 14.917 -1.133 -3.738 1.00 25.00 C ATOM 888 CG TYR A 640 16.271 -1.817 -3.786 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.715 -2.595 -2.721 1.00 25.00 C ATOM 890 CD2 TYR A 640 17.100 -1.695 -4.898 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.943 -3.226 -2.761 1.00 25.00 C ATOM 892 CE2 TYR A 640 18.331 -2.324 -4.941 1.00 25.00 C ATOM 893 CZ TYR A 640 18.747 -3.086 -3.869 1.00 25.00 C ATOM 894 OH TYR A 640 19.968 -3.714 -3.908 1.00 25.00 O ATOM 0 H TYR A 640 12.907 0.288 -3.590 1.00 25.00 H new ATOM 0 HA TYR A 640 15.199 -0.048 -1.886 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.186 -1.829 -3.327 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.602 -0.905 -4.756 1.00 25.00 H new ATOM 0 HD1 TYR A 640 16.089 -2.707 -1.848 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.777 -1.100 -5.740 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.271 -3.827 -1.926 1.00 25.00 H new ATOM 0 HE2 TYR A 640 18.964 -2.219 -5.810 1.00 25.00 H new ATOM 0 HH TYR A 640 19.872 -4.636 -3.590 1.00 25.00 H new ATOM 904 N GLU A 641 15.384 2.018 -4.419 1.00 25.00 N ATOM 905 CA GLU A 641 16.199 3.059 -5.064 1.00 25.00 C ATOM 906 C GLU A 641 16.184 4.374 -4.269 1.00 25.00 C ATOM 907 O GLU A 641 17.117 5.175 -4.375 1.00 25.00 O ATOM 908 CB GLU A 641 15.704 3.317 -6.499 1.00 25.00 C ATOM 909 CG GLU A 641 15.887 2.146 -7.459 1.00 25.00 C ATOM 910 CD GLU A 641 17.344 1.808 -7.729 1.00 25.00 C ATOM 911 OE1 GLU A 641 18.098 2.713 -8.146 1.00 25.00 O ATOM 912 OE2 GLU A 641 17.730 0.638 -7.523 1.00 25.00 O ATOM 0 H GLU A 641 14.415 1.994 -4.738 1.00 25.00 H new ATOM 0 HA GLU A 641 17.225 2.693 -5.092 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.646 3.576 -6.462 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.231 4.183 -6.900 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.388 1.268 -7.048 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.395 2.380 -8.403 1.00 25.00 H new ATOM 919 N SER A 642 15.122 4.582 -3.474 1.00 25.00 N ATOM 920 CA SER A 642 14.941 5.824 -2.711 1.00 25.00 C ATOM 921 C SER A 642 15.524 5.723 -1.296 1.00 25.00 C ATOM 922 O SER A 642 16.051 6.709 -0.772 1.00 25.00 O ATOM 923 CB SER A 642 13.455 6.188 -2.636 1.00 25.00 C ATOM 924 OG SER A 642 12.906 6.378 -3.930 1.00 25.00 O ATOM 0 H SER A 642 14.373 3.901 -3.344 1.00 25.00 H new ATOM 0 HA SER A 642 15.485 6.609 -3.237 1.00 25.00 H new ATOM 0 HB2 SER A 642 12.910 5.398 -2.120 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.330 7.097 -2.048 1.00 25.00 H new ATOM 0 HG SER A 642 12.612 5.515 -4.291 1.00 25.00 H new ATOM 930 N ALA A 643 15.427 4.533 -0.686 1.00 25.00 N ATOM 931 CA ALA A 643 15.930 4.309 0.673 1.00 25.00 C ATOM 932 C ALA A 643 17.348 3.731 0.656 1.00 25.00 C ATOM 933 O ALA A 643 17.660 2.855 -0.157 1.00 25.00 O ATOM 934 CB ALA A 643 14.996 3.385 1.441 1.00 25.00 C ATOM 0 H ALA A 643 15.003 3.710 -1.115 1.00 25.00 H new ATOM 0 HA ALA A 643 15.966 5.275 1.176 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.385 3.230 2.447 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.005 3.836 1.500 1.00 25.00 H new ATOM 0 HB3 ALA A 643 14.928 2.427 0.926 1.00 25.00 H new ATOM 940 N ASN A 644 18.195 4.232 1.562 1.00 25.00 N ATOM 941 CA ASN A 644 19.586 3.768 1.683 1.00 25.00 C ATOM 942 C ASN A 644 19.799 2.918 2.949 1.00 25.00 C ATOM 943 O ASN A 644 20.855 2.299 3.117 1.00 25.00 O ATOM 944 CB ASN A 644 20.570 4.966 1.650 1.00 25.00 C ATOM 945 CG ASN A 644 20.658 5.705 0.307 1.00 25.00 C ATOM 946 OD1 ASN A 644 20.522 5.091 -0.751 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.899 7.014 0.336 1.00 25.00 N ATOM 0 H ASN A 644 17.942 4.963 2.227 1.00 25.00 H new ATOM 0 HA ASN A 644 19.792 3.128 0.825 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.275 5.679 2.420 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.564 4.606 1.914 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.976 7.538 -0.536 1.00 25.00 H new ATOM 0 HD22 ASN A 644 21.007 7.493 1.230 1.00 25.00 H new ATOM 954 N SER A 645 18.784 2.892 3.822 1.00 25.00 N ATOM 955 CA SER A 645 18.838 2.137 5.079 1.00 25.00 C ATOM 956 C SER A 645 17.557 1.323 5.269 1.00 25.00 C ATOM 957 O SER A 645 16.508 1.659 4.711 1.00 25.00 O ATOM 958 CB SER A 645 19.029 3.093 6.262 1.00 25.00 C ATOM 959 OG SER A 645 17.785 3.596 6.720 1.00 25.00 O ATOM 0 H SER A 645 17.906 3.391 3.677 1.00 25.00 H new ATOM 0 HA SER A 645 19.685 1.452 5.035 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.536 2.573 7.075 1.00 25.00 H new ATOM 0 HB3 SER A 645 19.672 3.921 5.964 1.00 25.00 H new ATOM 0 HG SER A 645 17.935 4.202 7.476 1.00 25.00 H new ATOM 965 N ARG A 646 17.658 0.248 6.070 1.00 25.00 N ATOM 966 CA ARG A 646 16.534 -0.670 6.310 1.00 25.00 C ATOM 967 C ARG A 646 15.508 -0.065 7.285 1.00 25.00 C ATOM 968 O ARG A 646 14.364 -0.526 7.352 1.00 25.00 O ATOM 969 CB ARG A 646 17.057 -2.014 6.844 1.00 25.00 C ATOM 970 CG ARG A 646 17.747 -1.920 8.207 1.00 25.00 C ATOM 971 CD ARG A 646 18.188 -3.284 8.729 1.00 25.00 C ATOM 972 NE ARG A 646 18.735 -3.217 10.094 1.00 25.00 N ATOM 973 CZ ARG A 646 17.997 -3.194 11.214 1.00 25.00 C ATOM 974 NH1 ARG A 646 16.667 -3.240 11.164 1.00 25.00 N ATOM 975 NH2 ARG A 646 18.599 -3.131 12.393 1.00 25.00 N ATOM 0 H ARG A 646 18.513 -0.006 6.564 1.00 25.00 H new ATOM 0 HA ARG A 646 16.026 -0.836 5.360 1.00 25.00 H new ATOM 0 HB2 ARG A 646 16.223 -2.712 6.918 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.759 -2.431 6.122 1.00 25.00 H new ATOM 0 HG2 ARG A 646 18.615 -1.266 8.128 1.00 25.00 H new ATOM 0 HG3 ARG A 646 17.067 -1.461 8.925 1.00 25.00 H new ATOM 0 HD2 ARG A 646 17.338 -3.967 8.715 1.00 25.00 H new ATOM 0 HD3 ARG A 646 18.941 -3.699 8.059 1.00 25.00 H new ATOM 0 HE ARG A 646 19.749 -3.186 10.196 1.00 25.00 H new ATOM 0 HH11 ARG A 646 16.192 -3.294 10.263 1.00 25.00 H new ATOM 0 HH12 ARG A 646 16.123 -3.221 12.027 1.00 25.00 H new ATOM 0 HH21 ARG A 646 19.617 -3.100 12.445 1.00 25.00 H new ATOM 0 HH22 ARG A 646 18.044 -3.113 13.249 1.00 25.00 H new ATOM 989 N ASP A 647 15.935 0.959 8.038 1.00 25.00 N ATOM 990 CA ASP A 647 15.047 1.694 8.950 1.00 25.00 C ATOM 991 C ASP A 647 14.216 2.737 8.194 1.00 25.00 C ATOM 992 O ASP A 647 13.132 3.115 8.642 1.00 25.00 O ATOM 993 CB ASP A 647 15.858 2.377 10.060 1.00 25.00 C ATOM 994 CG ASP A 647 16.584 1.388 10.954 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.991 0.340 11.286 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.747 1.661 11.322 1.00 25.00 O ATOM 0 H ASP A 647 16.897 1.299 8.033 1.00 25.00 H new ATOM 0 HA ASP A 647 14.366 0.972 9.401 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.585 3.053 9.609 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.190 2.987 10.668 1.00 25.00 H new ATOM 1001 N GLU A 648 14.742 3.194 7.044 1.00 25.00 N ATOM 1002 CA GLU A 648 14.038 4.140 6.169 1.00 25.00 C ATOM 1003 C GLU A 648 13.125 3.377 5.196 1.00 25.00 C ATOM 1004 O GLU A 648 11.967 3.746 5.010 1.00 25.00 O ATOM 1005 CB GLU A 648 15.064 5.015 5.416 1.00 25.00 C ATOM 1006 CG GLU A 648 15.811 6.033 6.281 1.00 25.00 C ATOM 1007 CD GLU A 648 14.920 7.164 6.755 1.00 25.00 C ATOM 1008 OE1 GLU A 648 13.808 7.313 6.206 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.334 7.900 7.676 1.00 25.00 O ATOM 0 H GLU A 648 15.661 2.918 6.699 1.00 25.00 H new ATOM 0 HA GLU A 648 13.409 4.797 6.769 1.00 25.00 H new ATOM 0 HB2 GLU A 648 15.795 4.361 4.939 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.547 5.549 4.619 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.237 5.525 7.146 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.643 6.446 5.711 1.00 25.00 H new ATOM 1016 N TYR A 649 13.665 2.303 4.599 1.00 25.00 N ATOM 1017 CA TYR A 649 12.924 1.426 3.674 1.00 25.00 C ATOM 1018 C TYR A 649 11.617 0.906 4.315 1.00 25.00 C ATOM 1019 O TYR A 649 10.538 1.034 3.730 1.00 25.00 O ATOM 1020 CB TYR A 649 13.862 0.270 3.246 1.00 25.00 C ATOM 1021 CG TYR A 649 13.252 -0.781 2.329 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.166 -0.592 0.954 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.767 -1.969 2.858 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.607 -1.560 0.137 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.209 -2.936 2.054 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.131 -2.731 0.692 1.00 25.00 C ATOM 1027 OH TYR A 649 11.553 -3.772 -0.007 1.00 25.00 O ATOM 0 H TYR A 649 14.633 2.016 4.744 1.00 25.00 H new ATOM 0 HA TYR A 649 12.621 1.989 2.791 1.00 25.00 H new ATOM 0 HB2 TYR A 649 14.730 0.699 2.746 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.226 -0.228 4.145 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.540 0.322 0.518 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.829 -2.138 3.923 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.544 -1.400 -0.929 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.834 -3.851 2.487 1.00 25.00 H new ATOM 0 HH TYR A 649 11.123 -3.424 -0.816 1.00 25.00 H new ATOM 1037 N TYR A 650 11.742 0.323 5.515 1.00 25.00 N ATOM 1038 CA TYR A 650 10.596 -0.179 6.282 1.00 25.00 C ATOM 1039 C TYR A 650 9.728 0.945 6.877 1.00 25.00 C ATOM 1040 O TYR A 650 8.589 0.694 7.283 1.00 25.00 O ATOM 1041 CB TYR A 650 11.095 -1.115 7.391 1.00 25.00 C ATOM 1042 CG TYR A 650 11.629 -2.441 6.876 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.882 -2.904 7.269 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.889 -3.227 6.003 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.380 -4.100 6.813 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.383 -4.433 5.538 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.629 -4.865 5.946 1.00 25.00 C ATOM 1048 OH TYR A 650 13.123 -6.065 5.488 1.00 25.00 O ATOM 0 H TYR A 650 12.640 0.187 5.980 1.00 25.00 H new ATOM 0 HA TYR A 650 9.955 -0.725 5.589 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.881 -0.611 7.954 1.00 25.00 H new ATOM 0 HB3 TYR A 650 10.278 -1.308 8.087 1.00 25.00 H new ATOM 0 HD1 TYR A 650 13.476 -2.309 7.948 1.00 25.00 H new ATOM 0 HD2 TYR A 650 9.914 -2.892 5.682 1.00 25.00 H new ATOM 0 HE1 TYR A 650 14.354 -4.439 7.132 1.00 25.00 H new ATOM 0 HE2 TYR A 650 10.796 -5.034 4.859 1.00 25.00 H new ATOM 0 HH TYR A 650 12.994 -6.755 6.172 1.00 25.00 H new ATOM 1058 N HIS A 651 10.266 2.176 6.921 1.00 25.00 N ATOM 1059 CA HIS A 651 9.511 3.337 7.415 1.00 25.00 C ATOM 1060 C HIS A 651 8.620 3.922 6.308 1.00 25.00 C ATOM 1061 O HIS A 651 7.477 4.293 6.564 1.00 25.00 O ATOM 1062 CB HIS A 651 10.470 4.415 7.957 1.00 25.00 C ATOM 1063 CG HIS A 651 9.782 5.615 8.554 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.824 6.868 7.978 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.046 5.752 9.688 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.148 7.722 8.727 1.00 25.00 C ATOM 1067 NE2 HIS A 651 8.666 7.069 9.770 1.00 25.00 N ATOM 0 H HIS A 651 11.217 2.391 6.621 1.00 25.00 H new ATOM 0 HA HIS A 651 8.869 3.001 8.229 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.112 3.965 8.714 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.118 4.749 7.146 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.805 4.971 10.393 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.013 8.774 8.522 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.103 7.477 10.516 1.00 25.00 H new ATOM 1076 N LEU A 652 9.166 3.986 5.082 1.00 25.00 N ATOM 1077 CA LEU A 652 8.448 4.468 3.891 1.00 25.00 C ATOM 1078 C LEU A 652 7.192 3.640 3.585 1.00 25.00 C ATOM 1079 O LEU A 652 6.140 4.196 3.256 1.00 25.00 O ATOM 1080 CB LEU A 652 9.404 4.440 2.700 1.00 25.00 C ATOM 1081 CG LEU A 652 10.535 5.490 2.677 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.483 5.329 1.493 1.00 25.00 C ATOM 1083 CD2 LEU A 652 9.922 6.874 2.649 1.00 25.00 C ATOM 0 H LEU A 652 10.126 3.702 4.889 1.00 25.00 H new ATOM 0 HA LEU A 652 8.108 5.485 4.086 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.860 3.451 2.657 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.814 4.559 1.791 1.00 25.00 H new ATOM 0 HG LEU A 652 11.131 5.342 3.578 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.254 6.098 1.537 1.00 25.00 H new ATOM 0 HD12 LEU A 652 11.950 4.345 1.532 1.00 25.00 H new ATOM 0 HD13 LEU A 652 10.924 5.429 0.563 1.00 25.00 H new ATOM 0 HD21 LEU A 652 10.714 7.623 2.633 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.304 6.980 1.757 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.306 7.017 3.537 1.00 25.00 H new ATOM 1095 N LEU A 653 7.322 2.310 3.697 1.00 25.00 N ATOM 1096 CA LEU A 653 6.191 1.383 3.511 1.00 25.00 C ATOM 1097 C LEU A 653 5.217 1.395 4.702 1.00 25.00 C ATOM 1098 O LEU A 653 4.044 1.044 4.544 1.00 25.00 O ATOM 1099 CB LEU A 653 6.705 -0.048 3.257 1.00 25.00 C ATOM 1100 CG LEU A 653 5.824 -0.913 2.337 1.00 25.00 C ATOM 1101 CD1 LEU A 653 4.736 -1.624 3.122 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.171 -0.070 1.246 1.00 25.00 C ATOM 0 H LEU A 653 8.204 1.848 3.917 1.00 25.00 H new ATOM 0 HA LEU A 653 5.636 1.729 2.639 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.703 0.014 2.823 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.806 -0.555 4.217 1.00 25.00 H new ATOM 0 HG LEU A 653 6.480 -1.653 1.879 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.132 -2.226 2.443 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.192 -2.270 3.872 1.00 25.00 H new ATOM 0 HD13 LEU A 653 4.102 -0.887 3.615 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.555 -0.708 0.612 1.00 25.00 H new ATOM 0 HD22 LEU A 653 4.547 0.697 1.704 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.944 0.404 0.641 1.00 25.00 H new ATOM 1114 N ALA A 654 5.707 1.804 5.884 1.00 25.00 N ATOM 1115 CA ALA A 654 4.868 1.905 7.089 1.00 25.00 C ATOM 1116 C ALA A 654 4.122 3.242 7.161 1.00 25.00 C ATOM 1117 O ALA A 654 3.004 3.300 7.681 1.00 25.00 O ATOM 1118 CB ALA A 654 5.704 1.706 8.342 1.00 25.00 C ATOM 0 H ALA A 654 6.681 2.070 6.030 1.00 25.00 H new ATOM 0 HA ALA A 654 4.122 1.113 7.027 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.065 1.784 9.222 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.168 0.720 8.317 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.479 2.471 8.387 1.00 25.00 H new ATOM 1124 N GLU A 655 4.747 4.315 6.641 1.00 25.00 N ATOM 1125 CA GLU A 655 4.112 5.641 6.613 1.00 25.00 C ATOM 1126 C GLU A 655 3.188 5.793 5.400 1.00 25.00 C ATOM 1127 O GLU A 655 2.292 6.639 5.405 1.00 25.00 O ATOM 1128 CB GLU A 655 5.153 6.783 6.670 1.00 25.00 C ATOM 1129 CG GLU A 655 5.996 6.959 5.410 1.00 25.00 C ATOM 1130 CD GLU A 655 7.059 8.031 5.559 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.225 8.553 6.681 1.00 25.00 O ATOM 1132 OE2 GLU A 655 7.724 8.349 4.551 1.00 25.00 O ATOM 0 H GLU A 655 5.684 4.288 6.238 1.00 25.00 H new ATOM 0 HA GLU A 655 3.499 5.719 7.511 1.00 25.00 H new ATOM 0 HB2 GLU A 655 4.631 7.718 6.872 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.821 6.602 7.512 1.00 25.00 H new ATOM 0 HG2 GLU A 655 6.474 6.011 5.163 1.00 25.00 H new ATOM 0 HG3 GLU A 655 5.344 7.214 4.575 1.00 25.00 H new ATOM 1139 N LYS A 656 3.416 4.965 4.364 1.00 25.00 N ATOM 1140 CA LYS A 656 2.461 4.822 3.259 1.00 25.00 C ATOM 1141 C LYS A 656 1.236 4.060 3.773 1.00 25.00 C ATOM 1142 O LYS A 656 0.110 4.301 3.342 1.00 25.00 O ATOM 1143 CB LYS A 656 3.088 4.052 2.084 1.00 25.00 C ATOM 1144 CG LYS A 656 4.116 4.835 1.249 1.00 25.00 C ATOM 1145 CD LYS A 656 4.878 3.960 0.237 1.00 25.00 C ATOM 1146 CE LYS A 656 6.364 4.314 0.151 1.00 25.00 C ATOM 1147 NZ LYS A 656 6.618 5.468 -0.757 1.00 25.00 N ATOM 0 H LYS A 656 4.252 4.388 4.273 1.00 25.00 H new ATOM 0 HA LYS A 656 2.177 5.812 2.902 1.00 25.00 H new ATOM 0 HB2 LYS A 656 3.571 3.157 2.476 1.00 25.00 H new ATOM 0 HB3 LYS A 656 2.288 3.719 1.423 1.00 25.00 H new ATOM 0 HG2 LYS A 656 3.604 5.635 0.713 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.833 5.309 1.920 1.00 25.00 H new ATOM 0 HD2 LYS A 656 4.774 2.912 0.518 1.00 25.00 H new ATOM 0 HD3 LYS A 656 4.424 4.072 -0.748 1.00 25.00 H new ATOM 0 HE2 LYS A 656 6.738 4.549 1.148 1.00 25.00 H new ATOM 0 HE3 LYS A 656 6.922 3.447 -0.202 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 7.638 5.671 -0.783 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 6.286 5.236 -1.715 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 6.108 6.304 -0.407 1.00 25.00 H new ATOM 1161 N ILE A 657 1.496 3.161 4.741 1.00 25.00 N ATOM 1162 CA ILE A 657 0.455 2.420 5.459 1.00 25.00 C ATOM 1163 C ILE A 657 -0.350 3.382 6.353 1.00 25.00 C ATOM 1164 O ILE A 657 -1.536 3.164 6.604 1.00 25.00 O ATOM 1165 CB ILE A 657 1.106 1.231 6.267 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.188 -0.015 5.348 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.376 0.913 7.587 1.00 25.00 C ATOM 1168 CD1 ILE A 657 2.061 -1.161 5.855 1.00 25.00 C ATOM 0 H ILE A 657 2.442 2.931 5.045 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.248 1.979 4.753 1.00 25.00 H new ATOM 0 HB ILE A 657 2.108 1.539 6.566 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.178 -0.395 5.192 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.564 0.300 4.375 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.877 0.086 8.090 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.390 1.792 8.232 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.657 0.636 7.374 1.00 25.00 H new ATOM 0 HD11 ILE A 657 2.044 -1.978 5.133 1.00 25.00 H new ATOM 0 HD12 ILE A 657 3.085 -0.810 5.982 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.677 -1.515 6.812 1.00 25.00 H new ATOM 1180 N TYR A 658 0.322 4.440 6.816 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.306 5.464 7.641 1.00 25.00 C ATOM 1182 C TYR A 658 -0.995 6.524 6.765 1.00 25.00 C ATOM 1183 O TYR A 658 -2.002 7.101 7.174 1.00 25.00 O ATOM 1184 CB TYR A 658 0.747 6.121 8.543 1.00 25.00 C ATOM 1185 CG TYR A 658 0.214 7.222 9.446 1.00 25.00 C ATOM 1186 CD1 TYR A 658 -0.560 6.924 10.563 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.482 8.560 9.172 1.00 25.00 C ATOM 1188 CE1 TYR A 658 -1.049 7.927 11.380 1.00 25.00 C ATOM 1189 CE2 TYR A 658 -0.004 9.566 9.986 1.00 25.00 C ATOM 1190 CZ TYR A 658 -0.755 9.232 11.109 1.00 25.00 C ATOM 1191 OH TYR A 658 -1.253 10.243 11.897 1.00 25.00 O ATOM 0 H TYR A 658 1.311 4.606 6.628 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.067 4.993 8.264 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.205 5.351 9.164 1.00 25.00 H new ATOM 0 HB3 TYR A 658 1.536 6.535 7.915 1.00 25.00 H new ATOM 0 HD1 TYR A 658 -0.782 5.893 10.796 1.00 25.00 H new ATOM 0 HD2 TYR A 658 1.079 8.816 8.310 1.00 25.00 H new ATOM 0 HE1 TYR A 658 -1.663 7.678 12.232 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.197 10.601 9.753 1.00 25.00 H new ATOM 0 HH TYR A 658 -0.940 11.107 11.557 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.444 6.762 5.553 1.00 25.00 N ATOM 1202 CA LYS A 659 -0.990 7.764 4.613 1.00 25.00 C ATOM 1203 C LYS A 659 -2.296 7.319 3.982 1.00 25.00 C ATOM 1204 O LYS A 659 -3.218 8.119 3.807 1.00 25.00 O ATOM 1205 CB LYS A 659 0.000 8.107 3.498 1.00 25.00 C ATOM 1206 CG LYS A 659 -0.453 9.240 2.606 1.00 25.00 C ATOM 1207 CD LYS A 659 0.610 9.619 1.554 1.00 25.00 C ATOM 1208 CE LYS A 659 0.138 10.742 0.646 1.00 25.00 C ATOM 1209 NZ LYS A 659 1.187 11.164 -0.326 1.00 25.00 N ATOM 0 H LYS A 659 0.380 6.272 5.204 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.175 8.652 5.218 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.959 8.370 3.945 1.00 25.00 H new ATOM 0 HB3 LYS A 659 0.166 7.220 2.887 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -1.376 8.955 2.100 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -0.682 10.112 3.218 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.527 9.922 2.059 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.852 8.743 0.952 1.00 25.00 H new ATOM 0 HE2 LYS A 659 -0.749 10.417 0.102 1.00 25.00 H new ATOM 0 HE3 LYS A 659 -0.156 11.598 1.254 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 0.818 11.932 -0.923 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 2.025 11.499 0.191 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 1.451 10.356 -0.925 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.356 6.035 3.628 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.569 5.437 3.051 1.00 25.00 C ATOM 1225 C ILE A 660 -4.691 5.384 4.114 1.00 25.00 C ATOM 1226 O ILE A 660 -5.870 5.503 3.790 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.282 4.023 2.450 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.296 4.137 1.266 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.585 3.362 1.985 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -1.777 2.807 0.736 1.00 25.00 C ATOM 0 H ILE A 660 -1.578 5.384 3.730 1.00 25.00 H new ATOM 0 HA ILE A 660 -3.904 6.067 2.227 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.834 3.403 3.226 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -2.788 4.669 0.452 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.446 4.745 1.577 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.366 2.378 1.569 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.262 3.255 2.833 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.055 3.982 1.222 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.093 2.988 -0.093 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.252 2.278 1.532 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.615 2.202 0.389 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.290 5.218 5.377 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.201 5.308 6.528 1.00 25.00 C ATOM 1244 C GLN A 661 -5.572 6.769 6.851 1.00 25.00 C ATOM 1245 O GLN A 661 -6.597 7.036 7.482 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.539 4.668 7.754 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.400 3.144 7.690 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.663 2.509 8.872 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -3.238 3.311 9.850 1.00 25.00 O flip ATOM 1250 NE2 GLN A 661 -3.456 1.296 8.889 1.00 25.00 N flip ATOM 0 H GLN A 661 -3.324 5.017 5.634 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.118 4.777 6.272 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.548 5.104 7.883 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.119 4.928 8.639 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.396 2.706 7.625 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.876 2.881 6.771 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.794 0.710 8.126 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.946 0.876 9.666 1.00 25.00 H new ATOM 1259 N LYS A 662 -4.718 7.694 6.394 1.00 25.00 N ATOM 1260 CA LYS A 662 -4.826 9.117 6.644 1.00 25.00 C ATOM 1261 C LYS A 662 -5.760 9.787 5.620 1.00 25.00 C ATOM 1262 O LYS A 662 -6.642 10.568 5.986 1.00 25.00 O ATOM 1263 CB LYS A 662 -3.375 9.627 6.566 1.00 25.00 C ATOM 1264 CG LYS A 662 -3.100 11.108 6.778 1.00 25.00 C ATOM 1265 CD LYS A 662 -1.637 11.502 6.660 1.00 25.00 C ATOM 1266 CE LYS A 662 -1.370 12.903 7.166 1.00 25.00 C ATOM 1267 NZ LYS A 662 -2.088 13.937 6.369 1.00 25.00 N ATOM 0 H LYS A 662 -3.909 7.453 5.822 1.00 25.00 H new ATOM 0 HA LYS A 662 -5.272 9.352 7.610 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -2.793 9.076 7.304 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -2.984 9.357 5.585 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -3.677 11.679 6.050 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -3.461 11.394 7.766 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -1.027 10.794 7.222 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -1.328 11.431 5.617 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -1.676 12.975 8.210 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -0.299 13.101 7.133 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -1.848 14.882 6.731 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -1.804 13.866 5.371 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -3.114 13.786 6.448 1.00 25.00 H new ATOM 1281 N GLU A 663 -5.550 9.453 4.342 1.00 25.00 N ATOM 1282 CA GLU A 663 -6.315 10.020 3.222 1.00 25.00 C ATOM 1283 C GLU A 663 -7.817 9.671 3.290 1.00 25.00 C ATOM 1284 O GLU A 663 -8.667 10.521 3.011 1.00 25.00 O ATOM 1285 CB GLU A 663 -5.678 9.572 1.891 1.00 25.00 C ATOM 1286 CG GLU A 663 -4.322 10.189 1.548 1.00 25.00 C ATOM 1287 CD GLU A 663 -3.714 9.603 0.288 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -4.176 8.529 -0.151 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -2.774 10.218 -0.259 1.00 25.00 O ATOM 0 H GLU A 663 -4.842 8.779 4.052 1.00 25.00 H new ATOM 0 HA GLU A 663 -6.267 11.107 3.291 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -5.565 8.488 1.913 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -6.373 9.803 1.084 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -4.438 11.266 1.424 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -3.637 10.037 2.382 1.00 25.00 H new ATOM 1296 N LEU A 664 -8.124 8.413 3.659 1.00 25.00 N ATOM 1297 CA LEU A 664 -9.516 7.968 3.889 1.00 25.00 C ATOM 1298 C LEU A 664 -10.202 8.753 5.021 1.00 25.00 C ATOM 1299 O LEU A 664 -11.426 8.919 5.009 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.587 6.454 4.216 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.289 5.442 3.075 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.233 4.002 3.583 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.288 5.565 1.937 1.00 25.00 C ATOM 0 H LEU A 664 -7.426 7.683 3.805 1.00 25.00 H new ATOM 0 HA LEU A 664 -10.046 8.163 2.957 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -8.888 6.256 5.028 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.586 6.242 4.597 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.302 5.697 2.689 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -9.022 3.330 2.751 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.446 3.911 4.331 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -10.191 3.736 4.030 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.045 4.841 1.160 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.293 5.371 2.312 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.244 6.572 1.521 1.00 25.00 H new ATOM 1315 N GLU A 665 -9.404 9.234 5.990 1.00 25.00 N ATOM 1316 CA GLU A 665 -9.916 10.045 7.107 1.00 25.00 C ATOM 1317 C GLU A 665 -10.196 11.489 6.671 1.00 25.00 C ATOM 1318 O GLU A 665 -10.981 12.196 7.311 1.00 25.00 O ATOM 1319 CB GLU A 665 -8.935 10.036 8.285 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.878 8.712 9.039 1.00 25.00 C ATOM 1321 CD GLU A 665 -7.918 8.749 10.214 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -7.304 9.811 10.446 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -7.779 7.715 10.899 1.00 25.00 O ATOM 0 H GLU A 665 -8.397 9.074 6.021 1.00 25.00 H new ATOM 0 HA GLU A 665 -10.856 9.596 7.427 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -7.938 10.274 7.915 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.214 10.827 8.982 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.876 8.460 9.398 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.576 7.920 8.353 1.00 25.00 H new ATOM 1694 N SER B 536 -9.107 8.735 -5.774 1.00 25.00 N ATOM 1695 CA SER B 536 -10.333 8.462 -6.532 1.00 25.00 C ATOM 1696 C SER B 536 -10.614 6.958 -6.654 1.00 25.00 C ATOM 1697 O SER B 536 -11.776 6.546 -6.711 1.00 25.00 O ATOM 1698 CB SER B 536 -10.240 9.097 -7.917 1.00 25.00 C ATOM 1699 OG SER B 536 -9.130 8.601 -8.647 1.00 25.00 O ATOM 0 HA SER B 536 -11.165 8.903 -5.984 1.00 25.00 H new ATOM 0 HB2 SER B 536 -11.158 8.899 -8.471 1.00 25.00 H new ATOM 0 HB3 SER B 536 -10.156 10.179 -7.817 1.00 25.00 H new ATOM 0 HG SER B 536 -8.439 8.295 -8.023 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.545 6.148 -6.688 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.667 4.699 -6.915 1.00 25.00 C ATOM 1707 C ILE B 537 -9.899 3.929 -5.603 1.00 25.00 C ATOM 1708 O ILE B 537 -10.607 2.919 -5.604 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.414 4.126 -7.673 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.240 4.772 -9.083 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.461 2.591 -7.791 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.931 4.460 -9.812 1.00 25.00 C ATOM 0 H ILE B 537 -8.586 6.471 -6.561 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.544 4.555 -7.546 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.546 4.391 -7.069 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.069 4.448 -9.713 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.324 5.854 -8.977 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.576 2.240 -8.321 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.486 2.150 -6.794 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.355 2.296 -8.341 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.924 4.963 -10.779 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.089 4.811 -9.215 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.846 3.384 -9.962 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.310 4.404 -4.495 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.432 3.712 -3.205 1.00 25.00 C ATOM 1726 C ALA B 538 -10.747 4.032 -2.490 1.00 25.00 C ATOM 1727 O ALA B 538 -11.106 3.382 -1.505 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.242 4.019 -2.310 1.00 25.00 C ATOM 0 H ALA B 538 -8.750 5.256 -4.467 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.440 2.643 -3.420 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.356 3.495 -1.361 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.325 3.690 -2.799 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.191 5.092 -2.128 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.444 5.035 -3.005 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.783 5.400 -2.527 1.00 25.00 C ATOM 1736 C ASP B 539 -13.845 4.837 -3.486 1.00 25.00 C ATOM 1737 O ASP B 539 -15.048 4.895 -3.213 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.894 6.931 -2.383 1.00 25.00 C ATOM 1739 CG ASP B 539 -12.119 7.487 -1.196 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -12.167 6.867 -0.112 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.465 8.539 -1.353 1.00 25.00 O ATOM 0 H ASP B 539 -11.103 5.622 -3.766 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.955 4.965 -1.543 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.530 7.401 -3.297 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.944 7.203 -2.281 1.00 25.00 H new ATOM 1746 N MET B 540 -13.363 4.283 -4.603 1.00 25.00 N ATOM 1747 CA MET B 540 -14.199 3.590 -5.582 1.00 25.00 C ATOM 1748 C MET B 540 -14.143 2.077 -5.335 1.00 25.00 C ATOM 1749 O MET B 540 -15.117 1.359 -5.575 1.00 25.00 O ATOM 1750 CB MET B 540 -13.687 3.915 -6.990 1.00 25.00 C ATOM 1751 CG MET B 540 -14.523 3.321 -8.127 1.00 25.00 C ATOM 1752 SD MET B 540 -13.942 3.802 -9.773 1.00 25.00 S ATOM 1753 CE MET B 540 -14.596 5.465 -9.932 1.00 25.00 C ATOM 0 H MET B 540 -12.374 4.304 -4.853 1.00 25.00 H new ATOM 0 HA MET B 540 -15.233 3.920 -5.486 1.00 25.00 H new ATOM 0 HB2 MET B 540 -13.654 4.998 -7.109 1.00 25.00 H new ATOM 0 HB3 MET B 540 -12.663 3.553 -7.082 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.510 2.234 -8.048 1.00 25.00 H new ATOM 0 HG3 MET B 540 -15.560 3.636 -8.009 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.311 5.877 -10.900 1.00 25.00 H new ATOM 0 HE2 MET B 540 -15.683 5.437 -9.855 1.00 25.00 H new ATOM 0 HE3 MET B 540 -14.192 6.092 -9.138 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.982 1.622 -4.851 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.726 0.204 -4.592 1.00 25.00 C ATOM 1765 C ASP B 541 -13.128 -0.199 -3.161 1.00 25.00 C ATOM 1766 O ASP B 541 -13.343 -1.385 -2.893 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.243 -0.101 -4.842 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.908 -0.301 -6.312 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.805 -0.716 -7.073 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.750 -0.036 -6.699 1.00 25.00 O ATOM 0 H ASP B 541 -12.193 2.229 -4.628 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.340 -0.384 -5.274 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.640 0.717 -4.447 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.966 -0.998 -4.288 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.239 0.789 -2.251 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.609 0.526 -0.849 1.00 25.00 C ATOM 1777 C PHE B 542 -15.103 0.172 -0.727 1.00 25.00 C ATOM 1778 O PHE B 542 -15.502 -0.550 0.191 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.282 1.757 0.011 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.464 1.577 1.500 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.572 0.819 2.247 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.547 2.155 2.144 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.760 0.645 3.606 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.737 1.985 3.501 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.843 1.229 4.234 1.00 25.00 C ATOM 0 H PHE B 542 -13.078 1.774 -2.463 1.00 25.00 H new ATOM 0 HA PHE B 542 -13.032 -0.328 -0.493 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.249 2.047 -0.179 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.911 2.585 -0.317 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.723 0.361 1.762 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.251 2.746 1.577 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -12.060 0.052 4.176 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.584 2.443 3.989 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.990 1.095 5.295 1.00 25.00 H new ATOM 1795 N SER B 543 -15.910 0.687 -1.669 1.00 25.00 N ATOM 1796 CA SER B 543 -17.355 0.428 -1.707 1.00 25.00 C ATOM 1797 C SER B 543 -17.674 -0.920 -2.373 1.00 25.00 C ATOM 1798 O SER B 543 -18.706 -1.532 -2.083 1.00 25.00 O ATOM 1799 CB SER B 543 -18.069 1.564 -2.449 1.00 25.00 C ATOM 1800 OG SER B 543 -17.686 1.613 -3.813 1.00 25.00 O ATOM 0 H SER B 543 -15.579 1.291 -2.421 1.00 25.00 H new ATOM 0 HA SER B 543 -17.714 0.382 -0.679 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.148 1.426 -2.377 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.837 2.515 -1.970 1.00 25.00 H new ATOM 0 HG SER B 543 -18.159 2.346 -4.259 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.775 -1.370 -3.262 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.940 -2.638 -3.985 1.00 25.00 C ATOM 1808 C ALA B 544 -16.474 -3.838 -3.150 1.00 25.00 C ATOM 1809 O ALA B 544 -16.894 -4.973 -3.396 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.184 -2.586 -5.306 1.00 25.00 C ATOM 0 H ALA B 544 -15.919 -0.868 -3.498 1.00 25.00 H new ATOM 0 HA ALA B 544 -18.004 -2.772 -4.182 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.312 -3.530 -5.836 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.574 -1.772 -5.917 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -15.124 -2.419 -5.112 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.605 -3.572 -2.164 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.063 -4.605 -1.281 1.00 25.00 C ATOM 1818 C LEU B 545 -16.014 -4.948 -0.125 1.00 25.00 C ATOM 1819 O LEU B 545 -15.839 -5.974 0.541 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.713 -4.142 -0.727 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.604 -3.895 -1.763 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.478 -3.075 -1.156 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.043 -5.211 -2.298 1.00 25.00 C ATOM 0 H LEU B 545 -15.261 -2.634 -1.960 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.938 -5.513 -1.872 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.870 -3.220 -0.167 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.359 -4.890 -0.017 1.00 25.00 H new ATOM 0 HG LEU B 545 -13.047 -3.342 -2.591 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.703 -2.911 -1.905 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.868 -2.114 -0.820 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -11.054 -3.611 -0.307 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.261 -5.003 -3.028 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.626 -5.790 -1.474 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.842 -5.780 -2.774 1.00 25.00 H new ATOM 1835 N LEU B 546 -17.020 -4.086 0.107 1.00 25.00 N ATOM 1836 CA LEU B 546 -18.026 -4.312 1.164 1.00 25.00 C ATOM 1837 C LEU B 546 -18.993 -5.434 0.780 1.00 25.00 C ATOM 1838 O LEU B 546 -19.517 -6.142 1.645 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.826 -3.023 1.443 1.00 25.00 C ATOM 1840 CG LEU B 546 -18.066 -1.884 2.132 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.916 -0.622 2.154 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.671 -2.268 3.549 1.00 25.00 C ATOM 0 H LEU B 546 -17.159 -3.226 -0.423 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.488 -4.605 2.065 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -19.214 -2.650 0.495 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.686 -3.282 2.060 1.00 25.00 H new ATOM 0 HG LEU B 546 -17.156 -1.694 1.563 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -18.365 0.179 2.646 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -19.153 -0.325 1.132 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.840 -0.815 2.699 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -17.133 -1.441 4.014 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.567 -2.490 4.129 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -17.029 -3.149 3.522 1.00 25.00 H new ATOM 1854 N SER B 547 -19.212 -5.578 -0.531 1.00 25.00 N ATOM 1855 CA SER B 547 -20.070 -6.636 -1.089 1.00 25.00 C ATOM 1856 C SER B 547 -19.375 -8.011 -1.069 1.00 25.00 C ATOM 1857 O SER B 547 -20.034 -9.046 -1.209 1.00 25.00 O ATOM 1858 CB SER B 547 -20.494 -6.278 -2.519 1.00 25.00 C ATOM 1859 OG SER B 547 -19.385 -6.272 -3.404 1.00 25.00 O ATOM 0 H SER B 547 -18.801 -4.967 -1.237 1.00 25.00 H new ATOM 0 HA SER B 547 -20.956 -6.706 -0.457 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.237 -6.995 -2.870 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.970 -5.297 -2.524 1.00 25.00 H new ATOM 0 HG SER B 547 -18.694 -5.668 -3.059 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.043 -8.004 -0.889 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.233 -9.236 -0.863 1.00 25.00 C ATOM 1867 C GLN B 548 -17.422 -10.039 0.433 1.00 25.00 C ATOM 1868 O GLN B 548 -16.988 -11.191 0.529 1.00 25.00 O ATOM 1869 CB GLN B 548 -15.744 -8.912 -1.058 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.395 -8.301 -2.415 1.00 25.00 C ATOM 1871 CD GLN B 548 -13.958 -7.803 -2.512 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -13.309 -7.544 -1.498 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -13.456 -7.667 -3.734 1.00 25.00 N ATOM 0 H GLN B 548 -17.500 -7.151 -0.758 1.00 25.00 H new ATOM 0 HA GLN B 548 -17.584 -9.855 -1.689 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -15.430 -8.223 -0.273 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.167 -9.828 -0.928 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -15.565 -9.045 -3.193 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -16.072 -7.470 -2.614 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -14.028 -7.893 -4.548 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -12.499 -7.337 -3.858 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.078 -9.417 1.415 1.00 25.00 N ATOM 1883 CA ILE B 549 -18.310 -10.033 2.731 1.00 25.00 C ATOM 1884 C ILE B 549 -19.657 -10.783 2.751 1.00 25.00 C ATOM 1885 O ILE B 549 -19.791 -11.799 3.438 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.272 -8.965 3.883 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -16.886 -8.254 3.980 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -18.657 -9.578 5.241 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.821 -7.013 4.873 1.00 25.00 C ATOM 0 H ILE B 549 -18.463 -8.477 1.325 1.00 25.00 H new ATOM 0 HA ILE B 549 -17.504 -10.746 2.904 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.016 -8.211 3.627 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.156 -8.976 4.345 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.577 -7.968 2.974 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.619 -8.808 6.012 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -19.667 -9.984 5.184 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -17.958 -10.376 5.491 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.809 -6.608 4.860 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -17.518 -6.261 4.502 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -17.090 -7.285 5.894 1.00 25.00 H new ATOM 1901 N SER B 550 -20.637 -10.273 1.991 1.00 25.00 N ATOM 1902 CA SER B 550 -21.975 -10.876 1.927 1.00 25.00 C ATOM 1903 C SER B 550 -22.072 -11.925 0.814 1.00 25.00 C ATOM 1904 O SER B 550 -22.739 -12.950 0.981 1.00 25.00 O ATOM 1905 CB SER B 550 -23.038 -9.792 1.721 1.00 25.00 C ATOM 1906 OG SER B 550 -22.771 -9.026 0.559 1.00 25.00 O ATOM 0 H SER B 550 -20.527 -9.442 1.411 1.00 25.00 H new ATOM 0 HA SER B 550 -22.154 -11.380 2.877 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.021 -10.255 1.637 1.00 25.00 H new ATOM 0 HB3 SER B 550 -23.067 -9.138 2.592 1.00 25.00 H new ATOM 0 HG SER B 550 -23.465 -8.343 0.451 1.00 25.00 H new ATOM 1912 N SER B 551 -21.403 -11.659 -0.317 1.00 25.00 N ATOM 1913 CA SER B 551 -21.397 -12.581 -1.455 1.00 25.00 C ATOM 1914 C SER B 551 -19.970 -13.037 -1.784 1.00 25.00 C ATOM 1915 O SER B 551 -19.211 -12.251 -2.395 1.00 25.00 O ATOM 1916 CB SER B 551 -22.064 -11.932 -2.680 1.00 25.00 C ATOM 1917 OG SER B 551 -22.043 -12.798 -3.804 1.00 25.00 O ATOM 1918 OXT SER B 551 -19.623 -14.182 -1.423 1.00 25.00 O ATOM 0 H SER B 551 -20.858 -10.809 -0.465 1.00 25.00 H new ATOM 0 HA SER B 551 -21.974 -13.464 -1.181 1.00 25.00 H new ATOM 0 HB2 SER B 551 -23.095 -11.672 -2.439 1.00 25.00 H new ATOM 0 HB3 SER B 551 -21.550 -11.003 -2.926 1.00 25.00 H new ATOM 0 HG SER B 551 -22.475 -12.357 -4.565 1.00 25.00 H new