USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 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 601 SER OG : rot -27:sc= 1.25 USER MOD Set 1.2: A 602 HIS : no HD1:sc= -0.0137 X(o=1.2,f=1.2) USER MOD Set 2.1: A 592 HIS : no HD1:sc= -0.0501 X(o=-0.061,f=-0.37) USER MOD Set 2.2: A 640 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -140:sc= 0.021 USER MOD Single : A 597 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 605 HIS :FLIP no HE2:sc=-0.000262 F(o=-0.8,f=-0.00026) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -0.0313 K(o=-0.031,f=-2.8!) USER MOD Single : A 614 THR OG1 : rot -108:sc= 0.455 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -157:sc= -0.171 (180deg=-2.09) USER MOD Single : A 627 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 631 TYR OH : rot 30:sc= -1.02 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ -171:sc= 0.313 (180deg=0.285) USER MOD Single : A 639 MET CE :methyl -164:sc= -2.22! (180deg=-2.78) USER MOD Single : A 642 SER OG : rot -103:sc= 0.163 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc=-0.00656 USER MOD Single : A 649 TYR OH : rot -18:sc= 1.24 USER MOD Single : A 650 TYR OH : rot 30:sc= -2.02! USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) 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 : amide:sc= 0.0679 X(o=0.068,f=0) USER MOD Single : A 662 LYS NZ :NH3+ -126:sc= 0.945 (180deg=-0.026) USER MOD Single : B 536 SER OG : rot -31:sc= 0.0537 USER MOD Single : B 540 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 543 SER OG : rot -100:sc= 0.432 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 548 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.041) 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 23.688 -5.712 4.608 1.00 25.00 N ATOM 73 CA GLY A 590 22.969 -6.433 5.665 1.00 25.00 C ATOM 74 C GLY A 590 21.504 -6.724 5.344 1.00 25.00 C ATOM 75 O GLY A 590 21.002 -7.805 5.666 1.00 25.00 O ATOM 0 HA2 GLY A 590 23.481 -7.376 5.858 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.018 -5.850 6.584 1.00 25.00 H new ATOM 79 N TRP A 591 20.828 -5.763 4.692 1.00 25.00 N ATOM 80 CA TRP A 591 19.395 -5.880 4.363 1.00 25.00 C ATOM 81 C TRP A 591 19.116 -6.962 3.307 1.00 25.00 C ATOM 82 O TRP A 591 18.094 -7.645 3.374 1.00 25.00 O ATOM 83 CB TRP A 591 18.823 -4.511 3.919 1.00 25.00 C ATOM 84 CG TRP A 591 19.345 -3.944 2.607 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.471 -4.315 1.918 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.756 -2.874 1.848 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.603 -3.558 0.780 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.568 -2.665 0.715 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.616 -2.074 2.014 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.277 -1.696 -0.241 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.332 -1.112 1.064 1.00 25.00 C ATOM 92 CH2 TRP A 591 18.160 -0.930 -0.051 1.00 25.00 C ATOM 0 H TRP A 591 21.254 -4.890 4.380 1.00 25.00 H new ATOM 0 HA TRP A 591 18.885 -6.195 5.273 1.00 25.00 H new ATOM 0 HB2 TRP A 591 17.740 -4.604 3.842 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.026 -3.786 4.707 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.156 -5.091 2.226 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.352 -3.647 0.093 1.00 25.00 H new ATOM 0 HE3 TRP A 591 16.971 -2.208 2.870 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.912 -1.554 -1.103 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.457 -0.490 1.183 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.911 -0.169 -0.776 1.00 25.00 H new ATOM 103 N HIS A 592 20.041 -7.124 2.356 1.00 25.00 N ATOM 104 CA HIS A 592 19.922 -8.142 1.299 1.00 25.00 C ATOM 105 C HIS A 592 20.122 -9.570 1.858 1.00 25.00 C ATOM 106 O HIS A 592 19.814 -10.556 1.181 1.00 25.00 O ATOM 107 CB HIS A 592 20.939 -7.844 0.180 1.00 25.00 C ATOM 108 CG HIS A 592 20.761 -8.659 -1.074 1.00 25.00 C ATOM 109 ND1 HIS A 592 21.285 -9.927 -1.226 1.00 25.00 N ATOM 110 CD2 HIS A 592 20.118 -8.381 -2.235 1.00 25.00 C ATOM 111 CE1 HIS A 592 20.974 -10.391 -2.424 1.00 25.00 C ATOM 112 NE2 HIS A 592 20.267 -9.473 -3.053 1.00 25.00 N ATOM 0 H HIS A 592 20.888 -6.560 2.294 1.00 25.00 H new ATOM 0 HA HIS A 592 18.913 -8.097 0.889 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.873 -6.787 -0.079 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.943 -8.015 0.567 1.00 25.00 H new ATOM 0 HD2 HIS A 592 19.588 -7.470 -2.472 1.00 25.00 H new ATOM 0 HE1 HIS A 592 21.252 -11.357 -2.820 1.00 25.00 H new ATOM 0 HE2 HIS A 592 19.891 -9.560 -3.997 1.00 25.00 H new ATOM 121 N GLU A 593 20.625 -9.662 3.099 1.00 25.00 N ATOM 122 CA GLU A 593 20.878 -10.952 3.756 1.00 25.00 C ATOM 123 C GLU A 593 19.612 -11.529 4.405 1.00 25.00 C ATOM 124 O GLU A 593 19.502 -12.748 4.569 1.00 25.00 O ATOM 125 CB GLU A 593 21.984 -10.810 4.804 1.00 25.00 C ATOM 126 CG GLU A 593 23.375 -10.661 4.211 1.00 25.00 C ATOM 127 CD GLU A 593 23.821 -11.892 3.445 1.00 25.00 C ATOM 128 OE1 GLU A 593 23.418 -13.011 3.832 1.00 25.00 O ATOM 129 OE2 GLU A 593 24.571 -11.740 2.459 1.00 25.00 O ATOM 0 H GLU A 593 20.866 -8.852 3.670 1.00 25.00 H new ATOM 0 HA GLU A 593 21.199 -11.649 2.982 1.00 25.00 H new ATOM 0 HB2 GLU A 593 21.771 -9.943 5.429 1.00 25.00 H new ATOM 0 HB3 GLU A 593 21.969 -11.684 5.456 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.391 -9.798 3.545 1.00 25.00 H new ATOM 0 HG3 GLU A 593 24.087 -10.459 5.011 1.00 25.00 H new ATOM 136 N HIS A 594 18.664 -10.650 4.767 1.00 25.00 N ATOM 137 CA HIS A 594 17.411 -11.083 5.404 1.00 25.00 C ATOM 138 C HIS A 594 16.182 -10.867 4.511 1.00 25.00 C ATOM 139 O HIS A 594 15.168 -11.550 4.692 1.00 25.00 O ATOM 140 CB HIS A 594 17.199 -10.403 6.773 1.00 25.00 C ATOM 141 CG HIS A 594 18.256 -10.668 7.808 1.00 25.00 C ATOM 142 ND1 HIS A 594 18.429 -11.897 8.404 1.00 25.00 N ATOM 143 CD2 HIS A 594 19.163 -9.844 8.379 1.00 25.00 C ATOM 144 CE1 HIS A 594 19.396 -11.819 9.299 1.00 25.00 C ATOM 145 NE2 HIS A 594 19.860 -10.582 9.303 1.00 25.00 N ATOM 0 H HIS A 594 18.741 -9.642 4.631 1.00 25.00 H new ATOM 0 HA HIS A 594 17.517 -12.156 5.561 1.00 25.00 H new ATOM 0 HB2 HIS A 594 17.133 -9.326 6.616 1.00 25.00 H new ATOM 0 HB3 HIS A 594 16.238 -10.726 7.172 1.00 25.00 H new ATOM 0 HD2 HIS A 594 19.312 -8.799 8.151 1.00 25.00 H new ATOM 0 HE1 HIS A 594 19.748 -12.628 9.922 1.00 25.00 H new ATOM 0 HE2 HIS A 594 20.613 -10.233 9.896 1.00 25.00 H new ATOM 154 N VAL A 595 16.262 -9.928 3.549 1.00 25.00 N ATOM 155 CA VAL A 595 15.132 -9.667 2.641 1.00 25.00 C ATOM 156 C VAL A 595 15.093 -10.725 1.526 1.00 25.00 C ATOM 157 O VAL A 595 16.086 -10.941 0.822 1.00 25.00 O ATOM 158 CB VAL A 595 15.168 -8.228 2.026 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.101 -8.032 0.945 1.00 25.00 C ATOM 160 CG2 VAL A 595 14.978 -7.182 3.112 1.00 25.00 C ATOM 0 H VAL A 595 17.084 -9.347 3.383 1.00 25.00 H new ATOM 0 HA VAL A 595 14.222 -9.731 3.238 1.00 25.00 H new ATOM 0 HB VAL A 595 16.146 -8.109 1.561 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.166 -7.019 0.549 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.264 -8.748 0.139 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.113 -8.190 1.376 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.006 -6.187 2.668 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.015 -7.335 3.600 1.00 25.00 H new ATOM 0 HG23 VAL A 595 15.777 -7.273 3.848 1.00 25.00 H new ATOM 170 N THR A 596 13.933 -11.369 1.391 1.00 25.00 N ATOM 171 CA THR A 596 13.715 -12.397 0.370 1.00 25.00 C ATOM 172 C THR A 596 12.709 -11.930 -0.679 1.00 25.00 C ATOM 173 O THR A 596 12.242 -10.788 -0.645 1.00 25.00 O ATOM 174 CB THR A 596 13.201 -13.725 0.993 1.00 25.00 C ATOM 175 OG1 THR A 596 11.963 -13.503 1.681 1.00 25.00 O ATOM 176 CG2 THR A 596 14.217 -14.324 1.949 1.00 25.00 C ATOM 0 H THR A 596 13.121 -11.195 1.983 1.00 25.00 H new ATOM 0 HA THR A 596 14.682 -12.573 -0.102 1.00 25.00 H new ATOM 0 HB THR A 596 13.044 -14.432 0.178 1.00 25.00 H new ATOM 0 HG1 THR A 596 11.954 -14.020 2.514 1.00 25.00 H new ATOM 0 HG21 THR A 596 13.823 -15.251 2.365 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.143 -14.532 1.413 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.416 -13.620 2.757 1.00 25.00 H new ATOM 184 N GLN A 597 12.390 -12.831 -1.613 1.00 25.00 N ATOM 185 CA GLN A 597 11.255 -12.671 -2.518 1.00 25.00 C ATOM 186 C GLN A 597 9.926 -12.857 -1.741 1.00 25.00 C ATOM 187 O GLN A 597 8.864 -12.421 -2.199 1.00 25.00 O ATOM 188 CB GLN A 597 11.446 -13.654 -3.717 1.00 25.00 C ATOM 189 CG GLN A 597 12.697 -13.480 -4.583 1.00 25.00 C ATOM 190 CD GLN A 597 12.806 -14.494 -5.729 1.00 25.00 C ATOM 191 OE1 GLN A 597 11.722 -15.226 -6.002 1.00 25.00 O flip ATOM 192 NE2 GLN A 597 13.857 -14.615 -6.359 1.00 25.00 N flip ATOM 0 H GLN A 597 12.915 -13.693 -1.761 1.00 25.00 H new ATOM 0 HA GLN A 597 11.205 -11.664 -2.932 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.450 -14.670 -3.322 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.574 -13.567 -4.365 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.701 -12.473 -5.000 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.580 -13.566 -3.950 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.664 -14.038 -6.121 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.921 -15.292 -7.119 1.00 25.00 H new ATOM 201 N ASP A 598 10.015 -13.492 -0.555 1.00 25.00 N ATOM 202 CA ASP A 598 8.847 -13.764 0.287 1.00 25.00 C ATOM 203 C ASP A 598 8.468 -12.560 1.157 1.00 25.00 C ATOM 204 O ASP A 598 7.276 -12.290 1.340 1.00 25.00 O ATOM 205 CB ASP A 598 9.102 -14.985 1.177 1.00 25.00 C ATOM 206 CG ASP A 598 9.101 -16.294 0.406 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.571 -16.316 -0.725 1.00 25.00 O ATOM 208 OD2 ASP A 598 9.625 -17.295 0.936 1.00 25.00 O ATOM 0 H ASP A 598 10.895 -13.826 -0.162 1.00 25.00 H new ATOM 0 HA ASP A 598 8.011 -13.967 -0.382 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.062 -14.867 1.680 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.338 -15.027 1.954 1.00 25.00 H new ATOM 213 N LEU A 599 9.475 -11.837 1.698 1.00 25.00 N ATOM 214 CA LEU A 599 9.214 -10.627 2.498 1.00 25.00 C ATOM 215 C LEU A 599 8.531 -9.536 1.673 1.00 25.00 C ATOM 216 O LEU A 599 7.528 -8.980 2.104 1.00 25.00 O ATOM 217 CB LEU A 599 10.507 -10.062 3.132 1.00 25.00 C ATOM 218 CG LEU A 599 10.357 -8.808 4.022 1.00 25.00 C ATOM 219 CD1 LEU A 599 9.469 -9.128 5.205 1.00 25.00 C ATOM 220 CD2 LEU A 599 11.692 -8.300 4.560 1.00 25.00 C ATOM 0 H LEU A 599 10.463 -12.070 1.595 1.00 25.00 H new ATOM 0 HA LEU A 599 8.540 -10.934 3.298 1.00 25.00 H new ATOM 0 HB2 LEU A 599 10.964 -10.850 3.730 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.204 -9.826 2.328 1.00 25.00 H new ATOM 0 HG LEU A 599 9.923 -8.030 3.393 1.00 25.00 H new ATOM 0 HD11 LEU A 599 9.364 -8.242 5.832 1.00 25.00 H new ATOM 0 HD12 LEU A 599 8.487 -9.439 4.849 1.00 25.00 H new ATOM 0 HD13 LEU A 599 9.915 -9.934 5.788 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.523 -7.418 5.178 1.00 25.00 H new ATOM 0 HD22 LEU A 599 12.163 -9.079 5.160 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.345 -8.040 3.727 1.00 25.00 H new ATOM 232 N ARG A 600 9.055 -9.271 0.465 1.00 25.00 N ATOM 233 CA ARG A 600 8.536 -8.199 -0.416 1.00 25.00 C ATOM 234 C ARG A 600 7.049 -8.396 -0.731 1.00 25.00 C ATOM 235 O ARG A 600 6.317 -7.430 -0.957 1.00 25.00 O ATOM 236 CB ARG A 600 9.321 -8.154 -1.736 1.00 25.00 C ATOM 237 CG ARG A 600 10.819 -7.942 -1.559 1.00 25.00 C ATOM 238 CD ARG A 600 11.597 -8.223 -2.842 1.00 25.00 C ATOM 239 NE ARG A 600 11.125 -7.412 -3.976 1.00 25.00 N ATOM 240 CZ ARG A 600 11.485 -7.603 -5.254 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.318 -8.585 -5.599 1.00 25.00 N ATOM 242 NH2 ARG A 600 11.003 -6.804 -6.196 1.00 25.00 N ATOM 0 H ARG A 600 9.842 -9.785 0.070 1.00 25.00 H new ATOM 0 HA ARG A 600 8.660 -7.259 0.121 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.158 -9.087 -2.276 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.922 -7.352 -2.357 1.00 25.00 H new ATOM 0 HG2 ARG A 600 11.004 -6.916 -1.241 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.185 -8.592 -0.764 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.655 -8.024 -2.673 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.508 -9.280 -3.093 1.00 25.00 H new ATOM 0 HE ARG A 600 10.477 -6.650 -3.776 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.695 -9.209 -4.885 1.00 25.00 H new ATOM 0 HH12 ARG A 600 12.579 -8.713 -6.577 1.00 25.00 H new ATOM 0 HH21 ARG A 600 10.363 -6.050 -5.947 1.00 25.00 H new ATOM 0 HH22 ARG A 600 11.272 -6.943 -7.170 1.00 25.00 H new ATOM 256 N SER A 601 6.629 -9.665 -0.739 1.00 25.00 N ATOM 257 CA SER A 601 5.225 -10.037 -0.951 1.00 25.00 C ATOM 258 C SER A 601 4.408 -9.883 0.345 1.00 25.00 C ATOM 259 O SER A 601 3.192 -9.677 0.298 1.00 25.00 O ATOM 260 CB SER A 601 5.143 -11.487 -1.448 1.00 25.00 C ATOM 261 OG SER A 601 5.474 -12.404 -0.419 1.00 25.00 O ATOM 0 H SER A 601 7.250 -10.462 -0.599 1.00 25.00 H new ATOM 0 HA SER A 601 4.803 -9.368 -1.701 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.136 -11.693 -1.811 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.820 -11.623 -2.291 1.00 25.00 H new ATOM 0 HG SER A 601 6.071 -11.971 0.226 1.00 25.00 H new ATOM 267 N HIS A 602 5.099 -9.986 1.493 1.00 25.00 N ATOM 268 CA HIS A 602 4.480 -9.825 2.818 1.00 25.00 C ATOM 269 C HIS A 602 4.408 -8.337 3.214 1.00 25.00 C ATOM 270 O HIS A 602 3.617 -7.955 4.080 1.00 25.00 O ATOM 271 CB HIS A 602 5.282 -10.629 3.857 1.00 25.00 C ATOM 272 CG HIS A 602 5.266 -12.118 3.648 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.141 -12.977 4.283 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.468 -12.901 2.881 1.00 25.00 C ATOM 275 CE1 HIS A 602 5.883 -14.220 3.915 1.00 25.00 C ATOM 276 NE2 HIS A 602 4.872 -14.200 3.067 1.00 25.00 N ATOM 0 H HIS A 602 6.099 -10.183 1.528 1.00 25.00 H new ATOM 0 HA HIS A 602 3.459 -10.205 2.782 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.316 -10.285 3.843 1.00 25.00 H new ATOM 0 HB3 HIS A 602 4.887 -10.411 4.849 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.664 -12.565 2.243 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.409 -15.101 4.251 1.00 25.00 H new ATOM 0 HE2 HIS A 602 4.457 -15.018 2.621 1.00 25.00 H new ATOM 285 N LEU A 603 5.247 -7.519 2.564 1.00 25.00 N ATOM 286 CA LEU A 603 5.258 -6.056 2.740 1.00 25.00 C ATOM 287 C LEU A 603 4.105 -5.430 1.940 1.00 25.00 C ATOM 288 O LEU A 603 3.477 -4.462 2.373 1.00 25.00 O ATOM 289 CB LEU A 603 6.613 -5.482 2.259 1.00 25.00 C ATOM 290 CG LEU A 603 7.900 -5.738 3.112 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.083 -5.004 2.535 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.772 -5.340 4.567 1.00 25.00 C ATOM 0 H LEU A 603 5.942 -7.853 1.897 1.00 25.00 H new ATOM 0 HA LEU A 603 5.128 -5.818 3.796 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.799 -5.875 1.260 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.495 -4.403 2.160 1.00 25.00 H new ATOM 0 HG LEU A 603 8.044 -6.818 3.073 1.00 25.00 H new ATOM 0 HD11 LEU A 603 9.965 -5.198 3.146 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.264 -5.349 1.517 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.877 -3.934 2.525 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.707 -5.551 5.085 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.551 -4.275 4.635 1.00 25.00 H new ATOM 0 HD23 LEU A 603 6.965 -5.908 5.030 1.00 25.00 H new ATOM 304 N VAL A 604 3.857 -6.018 0.758 1.00 25.00 N ATOM 305 CA VAL A 604 2.703 -5.712 -0.097 1.00 25.00 C ATOM 306 C VAL A 604 1.401 -6.261 0.528 1.00 25.00 C ATOM 307 O VAL A 604 0.343 -5.639 0.410 1.00 25.00 O ATOM 308 CB VAL A 604 2.953 -6.310 -1.521 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.724 -6.255 -2.417 1.00 25.00 C ATOM 310 CG2 VAL A 604 4.090 -5.566 -2.200 1.00 25.00 C ATOM 0 H VAL A 604 4.467 -6.734 0.364 1.00 25.00 H new ATOM 0 HA VAL A 604 2.585 -4.632 -0.184 1.00 25.00 H new ATOM 0 HB VAL A 604 3.206 -7.360 -1.376 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.963 -6.685 -3.390 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.914 -6.823 -1.959 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.413 -5.218 -2.545 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.260 -5.987 -3.191 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.830 -4.511 -2.293 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.997 -5.665 -1.604 1.00 25.00 H new ATOM 320 N HIS A 605 1.500 -7.429 1.188 1.00 25.00 N ATOM 321 CA HIS A 605 0.369 -8.021 1.920 1.00 25.00 C ATOM 322 C HIS A 605 0.128 -7.264 3.237 1.00 25.00 C ATOM 323 O HIS A 605 -0.938 -7.378 3.846 1.00 25.00 O ATOM 324 CB HIS A 605 0.623 -9.513 2.188 1.00 25.00 C ATOM 325 CG HIS A 605 -0.554 -10.245 2.777 1.00 25.00 C ATOM 326 ND1 HIS A 605 -0.713 -10.852 3.979 1.00 25.00 N flip ATOM 327 CD2 HIS A 605 -1.752 -10.400 2.111 1.00 25.00 C flip ATOM 328 CE1 HIS A 605 -1.990 -11.354 4.016 1.00 25.00 C flip ATOM 329 NE2 HIS A 605 -2.596 -11.067 2.878 1.00 25.00 N flip ATOM 0 H HIS A 605 2.356 -7.982 1.228 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.527 -7.933 1.305 1.00 25.00 H new ATOM 0 HB2 HIS A 605 0.905 -9.996 1.252 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.472 -9.609 2.865 1.00 25.00 H new ATOM 0 HD1 HIS A 605 -0.014 -10.922 4.718 1.00 25.00 H new ATOM 0 HD2 HIS A 605 -1.966 -10.033 1.118 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -2.428 -11.896 4.841 1.00 25.00 H new ATOM 338 N LYS A 606 1.146 -6.493 3.654 1.00 25.00 N ATOM 339 CA LYS A 606 1.061 -5.611 4.823 1.00 25.00 C ATOM 340 C LYS A 606 0.404 -4.287 4.409 1.00 25.00 C ATOM 341 O LYS A 606 -0.155 -3.559 5.232 1.00 25.00 O ATOM 342 CB LYS A 606 2.478 -5.354 5.362 1.00 25.00 C ATOM 343 CG LYS A 606 2.553 -4.399 6.545 1.00 25.00 C ATOM 344 CD LYS A 606 3.983 -4.253 7.033 1.00 25.00 C ATOM 345 CE LYS A 606 4.065 -3.317 8.219 1.00 25.00 C ATOM 346 NZ LYS A 606 5.458 -3.156 8.716 1.00 25.00 N ATOM 0 H LYS A 606 2.052 -6.466 3.187 1.00 25.00 H new ATOM 0 HA LYS A 606 0.460 -6.078 5.603 1.00 25.00 H new ATOM 0 HB2 LYS A 606 2.917 -6.307 5.656 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.091 -4.956 4.554 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.162 -3.424 6.256 1.00 25.00 H new ATOM 0 HG3 LYS A 606 1.924 -4.767 7.355 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.377 -5.231 7.311 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.609 -3.875 6.225 1.00 25.00 H new ATOM 0 HE2 LYS A 606 3.667 -2.342 7.938 1.00 25.00 H new ATOM 0 HE3 LYS A 606 3.436 -3.698 9.024 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.464 -2.506 9.528 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 5.831 -4.081 9.010 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.054 -2.768 7.958 1.00 25.00 H new ATOM 360 N LEU A 607 0.495 -4.017 3.105 1.00 25.00 N ATOM 361 CA LEU A 607 0.004 -2.794 2.486 1.00 25.00 C ATOM 362 C LEU A 607 -1.478 -2.911 2.108 1.00 25.00 C ATOM 363 O LEU A 607 -2.259 -1.994 2.356 1.00 25.00 O ATOM 364 CB LEU A 607 0.862 -2.526 1.253 1.00 25.00 C ATOM 365 CG LEU A 607 0.661 -1.164 0.571 1.00 25.00 C ATOM 366 CD1 LEU A 607 0.351 -0.119 1.612 1.00 25.00 C ATOM 367 CD2 LEU A 607 1.896 -0.733 -0.212 1.00 25.00 C ATOM 0 H LEU A 607 0.923 -4.660 2.439 1.00 25.00 H new ATOM 0 HA LEU A 607 0.079 -1.965 3.190 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.910 -2.615 1.539 1.00 25.00 H new ATOM 0 HB3 LEU A 607 0.664 -3.309 0.521 1.00 25.00 H new ATOM 0 HG LEU A 607 -0.168 -1.265 -0.129 1.00 25.00 H new ATOM 0 HD11 LEU A 607 0.209 0.847 1.127 1.00 25.00 H new ATOM 0 HD12 LEU A 607 -0.559 -0.395 2.145 1.00 25.00 H new ATOM 0 HD13 LEU A 607 1.179 -0.052 2.318 1.00 25.00 H new ATOM 0 HD21 LEU A 607 1.712 0.235 -0.678 1.00 25.00 H new ATOM 0 HD22 LEU A 607 2.747 -0.653 0.465 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.114 -1.472 -0.983 1.00 25.00 H new ATOM 379 N VAL A 608 -1.850 -4.065 1.528 1.00 25.00 N ATOM 380 CA VAL A 608 -3.232 -4.346 1.094 1.00 25.00 C ATOM 381 C VAL A 608 -4.172 -4.557 2.304 1.00 25.00 C ATOM 382 O VAL A 608 -5.382 -4.346 2.192 1.00 25.00 O ATOM 383 CB VAL A 608 -3.258 -5.593 0.143 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.676 -6.063 -0.170 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.533 -5.287 -1.164 1.00 25.00 C ATOM 0 H VAL A 608 -1.201 -4.831 1.346 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.597 -3.479 0.544 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.747 -6.396 0.675 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.635 -6.928 -0.832 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.181 -6.338 0.756 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.226 -5.259 -0.658 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.562 -6.164 -1.810 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.022 -4.451 -1.664 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.496 -5.026 -0.952 1.00 25.00 H new ATOM 395 N GLN A 609 -3.605 -4.957 3.452 1.00 25.00 N ATOM 396 CA GLN A 609 -4.391 -5.180 4.676 1.00 25.00 C ATOM 397 C GLN A 609 -4.596 -3.870 5.454 1.00 25.00 C ATOM 398 O GLN A 609 -5.580 -3.721 6.185 1.00 25.00 O ATOM 399 CB GLN A 609 -3.749 -6.265 5.560 1.00 25.00 C ATOM 400 CG GLN A 609 -3.755 -7.642 4.937 1.00 25.00 C ATOM 401 CD GLN A 609 -5.151 -8.166 4.647 1.00 25.00 C ATOM 402 OE1 GLN A 609 -6.038 -8.107 5.501 1.00 25.00 O ATOM 403 NE2 GLN A 609 -5.355 -8.676 3.438 1.00 25.00 N ATOM 0 H GLN A 609 -2.606 -5.133 3.559 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.375 -5.540 4.377 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.720 -5.980 5.779 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.278 -6.305 6.512 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -3.185 -7.615 4.008 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.245 -8.337 5.604 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.592 -8.705 2.761 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -6.274 -9.039 3.186 1.00 25.00 H new ATOM 412 N ALA A 610 -3.651 -2.930 5.280 1.00 25.00 N ATOM 413 CA ALA A 610 -3.754 -1.591 5.862 1.00 25.00 C ATOM 414 C ALA A 610 -4.756 -0.724 5.090 1.00 25.00 C ATOM 415 O ALA A 610 -5.384 0.171 5.663 1.00 25.00 O ATOM 416 CB ALA A 610 -2.385 -0.934 5.877 1.00 25.00 C ATOM 0 H ALA A 610 -2.802 -3.080 4.735 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.119 -1.686 6.884 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.465 0.063 6.311 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.699 -1.536 6.473 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -2.007 -0.857 4.857 1.00 25.00 H new ATOM 422 N ILE A 611 -4.904 -1.011 3.788 1.00 25.00 N ATOM 423 CA ILE A 611 -5.854 -0.295 2.927 1.00 25.00 C ATOM 424 C ILE A 611 -7.214 -1.028 2.927 1.00 25.00 C ATOM 425 O ILE A 611 -8.267 -0.387 2.976 1.00 25.00 O ATOM 426 CB ILE A 611 -5.312 -0.127 1.465 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.905 0.510 1.473 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.263 0.749 0.645 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.155 0.453 0.143 1.00 25.00 C ATOM 0 H ILE A 611 -4.374 -1.738 3.307 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.986 0.708 3.333 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.249 -1.116 1.012 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.998 1.553 1.774 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.303 0.012 2.233 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.875 0.858 -0.368 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.247 0.282 0.609 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.344 1.732 1.110 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.179 0.926 0.255 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -3.022 -0.587 -0.155 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.728 0.979 -0.621 1.00 25.00 H new ATOM 441 N PHE A 612 -7.168 -2.371 2.869 1.00 25.00 N ATOM 442 CA PHE A 612 -8.361 -3.211 2.988 1.00 25.00 C ATOM 443 C PHE A 612 -8.089 -4.394 3.953 1.00 25.00 C ATOM 444 O PHE A 612 -7.453 -5.377 3.554 1.00 25.00 O ATOM 445 CB PHE A 612 -8.799 -3.716 1.591 1.00 25.00 C ATOM 446 CG PHE A 612 -10.022 -4.606 1.592 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.287 -4.049 1.656 1.00 25.00 C ATOM 448 CD2 PHE A 612 -9.902 -5.983 1.523 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.413 -4.851 1.651 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.022 -6.792 1.518 1.00 25.00 C ATOM 451 CZ PHE A 612 -12.280 -6.225 1.581 1.00 25.00 C ATOM 0 H PHE A 612 -6.304 -2.897 2.739 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.176 -2.618 3.404 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -8.995 -2.854 0.954 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -7.970 -4.262 1.142 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.396 -2.976 1.710 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -8.921 -6.431 1.472 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.395 -4.405 1.702 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -10.914 -7.865 1.465 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.158 -6.854 1.576 1.00 25.00 H new ATOM 461 N PRO A 613 -8.550 -4.325 5.248 1.00 25.00 N ATOM 462 CA PRO A 613 -8.442 -5.457 6.187 1.00 25.00 C ATOM 463 C PRO A 613 -9.497 -6.541 5.924 1.00 25.00 C ATOM 464 O PRO A 613 -10.678 -6.231 5.735 1.00 25.00 O ATOM 465 CB PRO A 613 -8.669 -4.820 7.574 1.00 25.00 C ATOM 466 CG PRO A 613 -9.513 -3.608 7.342 1.00 25.00 C ATOM 467 CD PRO A 613 -9.165 -3.159 5.915 1.00 25.00 C ATOM 0 HA PRO A 613 -7.480 -5.960 6.091 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -9.167 -5.518 8.247 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.721 -4.551 8.039 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.574 -3.840 7.437 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -9.292 -2.826 8.068 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -10.058 -2.833 5.382 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.477 -2.314 5.931 1.00 25.00 H new ATOM 475 N THR A 614 -9.058 -7.807 5.908 1.00 25.00 N ATOM 476 CA THR A 614 -9.959 -8.940 5.669 1.00 25.00 C ATOM 477 C THR A 614 -9.490 -10.214 6.403 1.00 25.00 C ATOM 478 O THR A 614 -8.334 -10.625 6.262 1.00 25.00 O ATOM 479 CB THR A 614 -10.173 -9.241 4.155 1.00 25.00 C ATOM 480 OG1 THR A 614 -10.765 -10.536 3.981 1.00 25.00 O ATOM 481 CG2 THR A 614 -8.874 -9.164 3.363 1.00 25.00 C ATOM 0 H THR A 614 -8.084 -8.071 6.058 1.00 25.00 H new ATOM 0 HA THR A 614 -10.922 -8.636 6.080 1.00 25.00 H new ATOM 0 HB THR A 614 -10.845 -8.474 3.771 1.00 25.00 H new ATOM 0 HG1 THR A 614 -10.096 -11.156 3.622 1.00 25.00 H new ATOM 0 HG21 THR A 614 -9.074 -9.381 2.314 1.00 25.00 H new ATOM 0 HG22 THR A 614 -8.452 -8.163 3.452 1.00 25.00 H new ATOM 0 HG23 THR A 614 -8.165 -9.893 3.756 1.00 25.00 H new ATOM 489 N PRO A 615 -10.399 -10.844 7.213 1.00 25.00 N ATOM 490 CA PRO A 615 -10.162 -12.163 7.851 1.00 25.00 C ATOM 491 C PRO A 615 -9.736 -13.266 6.870 1.00 25.00 C ATOM 492 O PRO A 615 -8.730 -13.944 7.083 1.00 25.00 O ATOM 493 CB PRO A 615 -11.529 -12.517 8.432 1.00 25.00 C ATOM 494 CG PRO A 615 -12.159 -11.213 8.758 1.00 25.00 C ATOM 495 CD PRO A 615 -11.716 -10.286 7.615 1.00 25.00 C ATOM 0 HA PRO A 615 -9.347 -12.099 8.572 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -12.129 -13.077 7.715 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -11.430 -13.141 9.321 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -13.245 -11.296 8.806 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -11.825 -10.840 9.726 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.427 -10.298 6.789 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.630 -9.251 7.947 1.00 25.00 H new ATOM 503 N ASP A 616 -10.531 -13.432 5.808 1.00 25.00 N ATOM 504 CA ASP A 616 -10.316 -14.484 4.806 1.00 25.00 C ATOM 505 C ASP A 616 -9.345 -14.039 3.695 1.00 25.00 C ATOM 506 O ASP A 616 -9.598 -13.034 3.022 1.00 25.00 O ATOM 507 CB ASP A 616 -11.653 -14.912 4.183 1.00 25.00 C ATOM 508 CG ASP A 616 -11.556 -16.225 3.427 1.00 25.00 C ATOM 509 OD1 ASP A 616 -10.442 -16.786 3.351 1.00 25.00 O ATOM 510 OD2 ASP A 616 -12.593 -16.693 2.913 1.00 25.00 O ATOM 0 H ASP A 616 -11.341 -12.842 5.618 1.00 25.00 H new ATOM 0 HA ASP A 616 -9.865 -15.331 5.324 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -12.402 -15.005 4.970 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -11.999 -14.132 3.505 1.00 25.00 H new ATOM 515 N PRO A 617 -8.202 -14.778 3.491 1.00 25.00 N ATOM 516 CA PRO A 617 -7.269 -14.533 2.358 1.00 25.00 C ATOM 517 C PRO A 617 -7.893 -14.770 0.965 1.00 25.00 C ATOM 518 O PRO A 617 -7.291 -14.420 -0.055 1.00 25.00 O ATOM 519 CB PRO A 617 -6.138 -15.547 2.604 1.00 25.00 C ATOM 520 CG PRO A 617 -6.770 -16.645 3.389 1.00 25.00 C ATOM 521 CD PRO A 617 -7.688 -15.868 4.369 1.00 25.00 C ATOM 0 HA PRO A 617 -6.953 -13.490 2.337 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -5.729 -15.918 1.664 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -5.313 -15.093 3.153 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -7.337 -17.324 2.753 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -6.029 -17.246 3.916 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -8.491 -16.492 4.761 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -7.138 -15.480 5.226 1.00 25.00 H new ATOM 529 N ALA A 618 -9.100 -15.361 0.939 1.00 25.00 N ATOM 530 CA ALA A 618 -9.790 -15.713 -0.313 1.00 25.00 C ATOM 531 C ALA A 618 -10.436 -14.497 -1.002 1.00 25.00 C ATOM 532 O ALA A 618 -10.911 -14.603 -2.138 1.00 25.00 O ATOM 533 CB ALA A 618 -10.837 -16.785 -0.038 1.00 25.00 C ATOM 0 H ALA A 618 -9.622 -15.607 1.780 1.00 25.00 H new ATOM 0 HA ALA A 618 -9.037 -16.097 -1.001 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -11.346 -17.043 -0.967 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -10.351 -17.672 0.369 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -11.564 -16.408 0.681 1.00 25.00 H new ATOM 539 N ALA A 619 -10.438 -13.347 -0.311 1.00 25.00 N ATOM 540 CA ALA A 619 -11.006 -12.098 -0.845 1.00 25.00 C ATOM 541 C ALA A 619 -10.031 -11.371 -1.781 1.00 25.00 C ATOM 542 O ALA A 619 -10.399 -10.394 -2.441 1.00 25.00 O ATOM 543 CB ALA A 619 -11.397 -11.180 0.302 1.00 25.00 C ATOM 0 H ALA A 619 -10.049 -13.256 0.627 1.00 25.00 H new ATOM 0 HA ALA A 619 -11.887 -12.362 -1.430 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.817 -10.257 -0.098 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.140 -11.675 0.928 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.515 -10.949 0.900 1.00 25.00 H new ATOM 549 N LEU A 620 -8.791 -11.872 -1.838 1.00 25.00 N ATOM 550 CA LEU A 620 -7.707 -11.239 -2.591 1.00 25.00 C ATOM 551 C LEU A 620 -7.734 -11.608 -4.090 1.00 25.00 C ATOM 552 O LEU A 620 -6.848 -11.201 -4.851 1.00 25.00 O ATOM 553 CB LEU A 620 -6.347 -11.640 -1.970 1.00 25.00 C ATOM 554 CG LEU A 620 -6.047 -11.200 -0.506 1.00 25.00 C ATOM 555 CD1 LEU A 620 -4.697 -11.723 -0.026 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.116 -9.683 -0.334 1.00 25.00 C ATOM 0 H LEU A 620 -8.513 -12.730 -1.361 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.847 -10.160 -2.527 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.269 -12.726 -2.014 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.559 -11.238 -2.607 1.00 25.00 H new ATOM 0 HG LEU A 620 -6.828 -11.643 0.112 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -4.523 -11.395 0.999 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -4.694 -12.812 -0.064 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -3.907 -11.335 -0.669 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -5.900 -9.424 0.703 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.383 -9.209 -0.987 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.115 -9.332 -0.595 1.00 25.00 H new ATOM 568 N LYS A 621 -8.762 -12.364 -4.504 1.00 25.00 N ATOM 569 CA LYS A 621 -8.875 -12.860 -5.885 1.00 25.00 C ATOM 570 C LYS A 621 -9.820 -11.980 -6.720 1.00 25.00 C ATOM 571 O LYS A 621 -10.254 -12.367 -7.812 1.00 25.00 O ATOM 572 CB LYS A 621 -9.358 -14.324 -5.890 1.00 25.00 C ATOM 573 CG LYS A 621 -8.405 -15.313 -5.219 1.00 25.00 C ATOM 574 CD LYS A 621 -8.938 -16.746 -5.264 1.00 25.00 C ATOM 575 CE LYS A 621 -7.991 -17.733 -4.602 1.00 25.00 C ATOM 576 NZ LYS A 621 -8.528 -19.124 -4.582 1.00 25.00 N ATOM 0 H LYS A 621 -9.532 -12.647 -3.898 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.886 -12.813 -6.341 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -10.325 -14.375 -5.389 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -9.517 -14.636 -6.922 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -7.434 -15.272 -5.713 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -8.248 -15.017 -4.182 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -9.907 -16.787 -4.767 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -9.099 -17.039 -6.301 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -7.037 -17.724 -5.130 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -7.793 -17.410 -3.580 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -7.842 -19.754 -4.120 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -9.425 -19.142 -4.056 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -8.692 -19.447 -5.557 1.00 25.00 H new ATOM 590 N ASP A 622 -10.114 -10.785 -6.194 1.00 25.00 N ATOM 591 CA ASP A 622 -11.045 -9.845 -6.821 1.00 25.00 C ATOM 592 C ASP A 622 -10.352 -9.041 -7.935 1.00 25.00 C ATOM 593 O ASP A 622 -9.132 -8.853 -7.917 1.00 25.00 O ATOM 594 CB ASP A 622 -11.603 -8.915 -5.736 1.00 25.00 C ATOM 595 CG ASP A 622 -12.867 -8.187 -6.165 1.00 25.00 C ATOM 596 OD1 ASP A 622 -12.767 -7.259 -6.993 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.956 -8.550 -5.672 1.00 25.00 O ATOM 0 H ASP A 622 -9.712 -10.444 -5.321 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.862 -10.396 -7.287 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.814 -9.498 -4.839 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -10.842 -8.182 -5.468 1.00 25.00 H new ATOM 602 N ARG A 623 -11.162 -8.572 -8.901 1.00 25.00 N ATOM 603 CA ARG A 623 -10.662 -7.871 -10.103 1.00 25.00 C ATOM 604 C ARG A 623 -10.422 -6.395 -9.810 1.00 25.00 C ATOM 605 O ARG A 623 -9.475 -5.793 -10.321 1.00 25.00 O ATOM 606 CB ARG A 623 -11.666 -7.985 -11.270 1.00 25.00 C ATOM 607 CG ARG A 623 -11.879 -9.398 -11.770 1.00 25.00 C ATOM 608 CD ARG A 623 -10.806 -9.785 -12.774 1.00 25.00 C ATOM 609 NE ARG A 623 -9.520 -10.083 -12.134 1.00 25.00 N ATOM 610 CZ ARG A 623 -9.203 -11.253 -11.559 1.00 25.00 C ATOM 611 NH1 ARG A 623 -10.071 -12.264 -11.527 1.00 25.00 N ATOM 612 NH2 ARG A 623 -8.007 -11.410 -11.009 1.00 25.00 N ATOM 0 H ARG A 623 -12.177 -8.666 -8.873 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.723 -8.347 -10.385 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.625 -7.576 -10.951 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -11.316 -7.368 -12.097 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.863 -10.092 -10.929 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.862 -9.480 -12.233 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -11.138 -10.656 -13.338 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.673 -8.974 -13.490 1.00 25.00 H new ATOM 0 HE ARG A 623 -8.815 -9.346 -12.126 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -10.995 -12.156 -11.944 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -9.811 -13.146 -11.085 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.334 -10.644 -11.025 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.760 -12.297 -10.570 1.00 25.00 H new ATOM 626 N ARG A 624 -11.314 -5.827 -8.987 1.00 25.00 N ATOM 627 CA ARG A 624 -11.205 -4.427 -8.529 1.00 25.00 C ATOM 628 C ARG A 624 -9.985 -4.214 -7.614 1.00 25.00 C ATOM 629 O ARG A 624 -9.496 -3.089 -7.473 1.00 25.00 O ATOM 630 CB ARG A 624 -12.485 -3.999 -7.789 1.00 25.00 C ATOM 631 CG ARG A 624 -13.771 -4.005 -8.627 1.00 25.00 C ATOM 632 CD ARG A 624 -13.862 -2.843 -9.620 1.00 25.00 C ATOM 633 NE ARG A 624 -14.258 -1.583 -8.976 1.00 25.00 N ATOM 634 CZ ARG A 624 -15.528 -1.171 -8.822 1.00 25.00 C ATOM 635 NH1 ARG A 624 -16.551 -1.906 -9.254 1.00 25.00 N ATOM 636 NH2 ARG A 624 -15.772 -0.013 -8.223 1.00 25.00 N ATOM 0 H ARG A 624 -12.129 -6.318 -8.619 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.074 -3.810 -9.418 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.627 -4.660 -6.934 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.335 -2.994 -7.393 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.833 -4.945 -9.175 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.631 -3.968 -7.958 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -12.897 -2.710 -10.108 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -14.582 -3.091 -10.400 1.00 25.00 H new ATOM 0 HE ARG A 624 -13.517 -0.979 -8.621 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -16.378 -2.801 -9.712 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -17.507 -1.574 -9.127 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -14.998 0.558 -7.883 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -16.733 0.306 -8.103 1.00 25.00 H new ATOM 650 N MET A 625 -9.506 -5.309 -7.009 1.00 25.00 N ATOM 651 CA MET A 625 -8.327 -5.294 -6.133 1.00 25.00 C ATOM 652 C MET A 625 -7.024 -5.275 -6.947 1.00 25.00 C ATOM 653 O MET A 625 -6.078 -4.578 -6.581 1.00 25.00 O ATOM 654 CB MET A 625 -8.376 -6.522 -5.196 1.00 25.00 C ATOM 655 CG MET A 625 -7.255 -6.614 -4.143 1.00 25.00 C ATOM 656 SD MET A 625 -7.190 -5.200 -3.015 1.00 25.00 S ATOM 657 CE MET A 625 -7.999 -5.837 -1.567 1.00 25.00 C ATOM 0 H MET A 625 -9.926 -6.232 -7.114 1.00 25.00 H new ATOM 0 HA MET A 625 -8.343 -4.383 -5.535 1.00 25.00 H new ATOM 0 HB2 MET A 625 -9.335 -6.520 -4.678 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.346 -7.423 -5.809 1.00 25.00 H new ATOM 0 HG2 MET A 625 -7.391 -7.525 -3.560 1.00 25.00 H new ATOM 0 HG3 MET A 625 -6.296 -6.703 -4.654 1.00 25.00 H new ATOM 0 HE1 MET A 625 -8.390 -5.010 -0.975 1.00 25.00 H new ATOM 0 HE2 MET A 625 -8.820 -6.489 -1.866 1.00 25.00 H new ATOM 0 HE3 MET A 625 -7.284 -6.404 -0.970 1.00 25.00 H new ATOM 667 N GLU A 626 -6.982 -6.054 -8.039 1.00 25.00 N ATOM 668 CA GLU A 626 -5.781 -6.177 -8.889 1.00 25.00 C ATOM 669 C GLU A 626 -5.265 -4.806 -9.393 1.00 25.00 C ATOM 670 O GLU A 626 -4.093 -4.677 -9.756 1.00 25.00 O ATOM 671 CB GLU A 626 -6.067 -7.125 -10.067 1.00 25.00 C ATOM 672 CG GLU A 626 -4.814 -7.682 -10.757 1.00 25.00 C ATOM 673 CD GLU A 626 -5.120 -8.651 -11.888 1.00 25.00 C ATOM 674 OE1 GLU A 626 -6.316 -8.852 -12.188 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.165 -9.204 -12.474 1.00 25.00 O ATOM 0 H GLU A 626 -7.772 -6.614 -8.359 1.00 25.00 H new ATOM 0 HA GLU A 626 -4.986 -6.598 -8.274 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.669 -7.959 -9.707 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.667 -6.594 -10.806 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.227 -6.852 -11.150 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.195 -8.187 -10.015 1.00 25.00 H new ATOM 682 N ASN A 627 -6.145 -3.791 -9.394 1.00 25.00 N ATOM 683 CA ASN A 627 -5.764 -2.413 -9.750 1.00 25.00 C ATOM 684 C ASN A 627 -5.080 -1.696 -8.573 1.00 25.00 C ATOM 685 O ASN A 627 -4.251 -0.805 -8.779 1.00 25.00 O ATOM 686 CB ASN A 627 -6.996 -1.611 -10.207 1.00 25.00 C ATOM 687 CG ASN A 627 -7.609 -2.111 -11.515 1.00 25.00 C ATOM 688 OD1 ASN A 627 -6.920 -2.713 -12.337 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.909 -1.887 -11.708 1.00 25.00 N ATOM 0 H ASN A 627 -7.130 -3.899 -9.151 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.052 -2.473 -10.573 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.753 -1.649 -9.424 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.713 -0.565 -10.326 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.363 -2.219 -12.559 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.450 -1.384 -11.004 1.00 25.00 H new ATOM 696 N LEU A 628 -5.438 -2.102 -7.342 1.00 25.00 N ATOM 697 CA LEU A 628 -4.828 -1.570 -6.114 1.00 25.00 C ATOM 698 C LEU A 628 -3.548 -2.352 -5.775 1.00 25.00 C ATOM 699 O LEU A 628 -2.542 -1.762 -5.378 1.00 25.00 O ATOM 700 CB LEU A 628 -5.843 -1.641 -4.948 1.00 25.00 C ATOM 701 CG LEU A 628 -5.358 -1.182 -3.551 1.00 25.00 C ATOM 702 CD1 LEU A 628 -5.022 0.291 -3.583 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.394 -1.415 -2.458 1.00 25.00 C ATOM 0 H LEU A 628 -6.156 -2.806 -7.172 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.557 -0.526 -6.272 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.709 -1.037 -5.219 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -6.187 -2.672 -4.863 1.00 25.00 H new ATOM 0 HG LEU A 628 -4.479 -1.781 -3.316 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -4.681 0.608 -2.597 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -4.233 0.468 -4.314 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -5.909 0.861 -3.861 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -5.997 -1.074 -1.502 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -7.302 -0.860 -2.693 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -6.625 -2.478 -2.396 1.00 25.00 H new ATOM 715 N VAL A 629 -3.610 -3.688 -5.923 1.00 25.00 N ATOM 716 CA VAL A 629 -2.443 -4.575 -5.751 1.00 25.00 C ATOM 717 C VAL A 629 -1.300 -4.169 -6.708 1.00 25.00 C ATOM 718 O VAL A 629 -0.123 -4.355 -6.393 1.00 25.00 O ATOM 719 CB VAL A 629 -2.876 -6.069 -5.959 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.699 -7.051 -6.042 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.821 -6.501 -4.841 1.00 25.00 C ATOM 0 H VAL A 629 -4.468 -4.183 -6.165 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.061 -4.472 -4.735 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.380 -6.104 -6.925 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.079 -8.063 -6.186 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.058 -6.781 -6.881 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.123 -7.008 -5.118 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.116 -7.539 -4.994 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.315 -6.406 -3.880 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.708 -5.867 -4.849 1.00 25.00 H new ATOM 731 N ALA A 630 -1.677 -3.601 -7.861 1.00 25.00 N ATOM 732 CA ALA A 630 -0.718 -3.090 -8.839 1.00 25.00 C ATOM 733 C ALA A 630 -0.153 -1.727 -8.415 1.00 25.00 C ATOM 734 O ALA A 630 0.895 -1.299 -8.909 1.00 25.00 O ATOM 735 CB ALA A 630 -1.372 -3.018 -10.208 1.00 25.00 C ATOM 0 H ALA A 630 -2.652 -3.485 -8.138 1.00 25.00 H new ATOM 0 HA ALA A 630 0.126 -3.778 -8.891 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.654 -2.637 -10.934 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.698 -4.014 -10.508 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.234 -2.352 -10.165 1.00 25.00 H new ATOM 741 N TYR A 631 -0.865 -1.056 -7.494 1.00 25.00 N ATOM 742 CA TYR A 631 -0.373 0.164 -6.844 1.00 25.00 C ATOM 743 C TYR A 631 0.675 -0.182 -5.767 1.00 25.00 C ATOM 744 O TYR A 631 1.688 0.514 -5.639 1.00 25.00 O ATOM 745 CB TYR A 631 -1.563 0.974 -6.245 1.00 25.00 C ATOM 746 CG TYR A 631 -1.194 1.956 -5.132 1.00 25.00 C ATOM 747 CD1 TYR A 631 -0.500 3.132 -5.408 1.00 25.00 C ATOM 748 CD2 TYR A 631 -1.514 1.680 -3.803 1.00 25.00 C ATOM 749 CE1 TYR A 631 -0.133 3.998 -4.398 1.00 25.00 C ATOM 750 CE2 TYR A 631 -1.154 2.549 -2.789 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.461 3.704 -3.092 1.00 25.00 C ATOM 752 OH TYR A 631 -0.093 4.565 -2.086 1.00 25.00 O ATOM 0 H TYR A 631 -1.792 -1.344 -7.182 1.00 25.00 H new ATOM 0 HA TYR A 631 0.116 0.790 -7.590 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.045 1.528 -7.050 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.300 0.271 -5.857 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -0.245 3.370 -6.430 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -2.051 0.774 -3.562 1.00 25.00 H new ATOM 0 HE1 TYR A 631 0.409 4.903 -4.630 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -1.414 2.325 -1.765 1.00 25.00 H new ATOM 0 HH TYR A 631 -0.062 5.481 -2.434 1.00 25.00 H new ATOM 762 N ALA A 632 0.420 -1.256 -5.004 1.00 25.00 N ATOM 763 CA ALA A 632 1.304 -1.652 -3.903 1.00 25.00 C ATOM 764 C ALA A 632 2.481 -2.505 -4.396 1.00 25.00 C ATOM 765 O ALA A 632 3.514 -2.589 -3.725 1.00 25.00 O ATOM 766 CB ALA A 632 0.530 -2.383 -2.817 1.00 25.00 C ATOM 0 H ALA A 632 -0.390 -1.863 -5.131 1.00 25.00 H new ATOM 0 HA ALA A 632 1.716 -0.738 -3.476 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.210 -2.665 -2.013 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.248 -1.730 -2.422 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.073 -3.279 -3.237 1.00 25.00 H new ATOM 772 N LYS A 633 2.316 -3.132 -5.577 1.00 25.00 N ATOM 773 CA LYS A 633 3.388 -3.911 -6.218 1.00 25.00 C ATOM 774 C LYS A 633 4.505 -3.002 -6.755 1.00 25.00 C ATOM 775 O LYS A 633 5.654 -3.430 -6.906 1.00 25.00 O ATOM 776 CB LYS A 633 2.825 -4.745 -7.378 1.00 25.00 C ATOM 777 CG LYS A 633 2.099 -6.021 -6.953 1.00 25.00 C ATOM 778 CD LYS A 633 1.216 -6.573 -8.068 1.00 25.00 C ATOM 779 CE LYS A 633 1.067 -8.090 -7.994 1.00 25.00 C ATOM 780 NZ LYS A 633 0.312 -8.644 -9.155 1.00 25.00 N ATOM 0 H LYS A 633 1.445 -3.112 -6.107 1.00 25.00 H new ATOM 0 HA LYS A 633 3.807 -4.568 -5.456 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.136 -4.125 -7.952 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.644 -5.014 -8.045 1.00 25.00 H new ATOM 0 HG2 LYS A 633 2.831 -6.775 -6.663 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.488 -5.815 -6.074 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.231 -6.110 -8.010 1.00 25.00 H new ATOM 0 HD3 LYS A 633 1.641 -6.299 -9.034 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.055 -8.548 -7.955 1.00 25.00 H new ATOM 0 HE3 LYS A 633 0.555 -8.357 -7.070 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.237 -9.677 -9.059 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.641 -8.229 -9.179 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 0.813 -8.413 -10.037 1.00 25.00 H new ATOM 794 N LYS A 634 4.137 -1.742 -7.031 1.00 25.00 N ATOM 795 CA LYS A 634 5.039 -0.749 -7.627 1.00 25.00 C ATOM 796 C LYS A 634 5.889 -0.036 -6.561 1.00 25.00 C ATOM 797 O LYS A 634 7.043 0.314 -6.820 1.00 25.00 O ATOM 798 CB LYS A 634 4.200 0.274 -8.424 1.00 25.00 C ATOM 799 CG LYS A 634 5.007 1.376 -9.123 1.00 25.00 C ATOM 800 CD LYS A 634 5.923 0.827 -10.220 1.00 25.00 C ATOM 801 CE LYS A 634 6.672 1.933 -10.965 1.00 25.00 C ATOM 802 NZ LYS A 634 7.746 2.537 -10.128 1.00 25.00 N ATOM 0 H LYS A 634 3.200 -1.383 -6.846 1.00 25.00 H new ATOM 0 HA LYS A 634 5.731 -1.263 -8.294 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.620 -0.262 -9.175 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.487 0.742 -7.746 1.00 25.00 H new ATOM 0 HG2 LYS A 634 4.321 2.104 -9.557 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.608 1.906 -8.384 1.00 25.00 H new ATOM 0 HD2 LYS A 634 6.643 0.139 -9.777 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.329 0.252 -10.931 1.00 25.00 H new ATOM 0 HE2 LYS A 634 7.108 1.525 -11.877 1.00 25.00 H new ATOM 0 HE3 LYS A 634 5.968 2.708 -11.267 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 8.127 3.378 -10.606 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 7.354 2.812 -9.205 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 8.508 1.843 -9.988 1.00 25.00 H new ATOM 816 N VAL A 635 5.311 0.167 -5.369 1.00 25.00 N ATOM 817 CA VAL A 635 5.961 0.959 -4.311 1.00 25.00 C ATOM 818 C VAL A 635 7.095 0.186 -3.611 1.00 25.00 C ATOM 819 O VAL A 635 8.086 0.784 -3.199 1.00 25.00 O ATOM 820 CB VAL A 635 4.935 1.502 -3.263 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.650 2.246 -2.143 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.869 2.404 -3.890 1.00 25.00 C ATOM 0 H VAL A 635 4.397 -0.205 -5.112 1.00 25.00 H new ATOM 0 HA VAL A 635 6.408 1.816 -4.814 1.00 25.00 H new ATOM 0 HB VAL A 635 4.424 0.631 -2.853 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.917 2.615 -1.426 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.341 1.570 -1.640 1.00 25.00 H new ATOM 0 HG13 VAL A 635 6.204 3.087 -2.560 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.185 2.751 -3.116 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.349 3.262 -4.361 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.313 1.842 -4.640 1.00 25.00 H new ATOM 832 N GLU A 636 6.947 -1.145 -3.513 1.00 25.00 N ATOM 833 CA GLU A 636 7.947 -2.007 -2.857 1.00 25.00 C ATOM 834 C GLU A 636 9.242 -2.103 -3.689 1.00 25.00 C ATOM 835 O GLU A 636 10.328 -2.295 -3.133 1.00 25.00 O ATOM 836 CB GLU A 636 7.366 -3.418 -2.648 1.00 25.00 C ATOM 837 CG GLU A 636 8.250 -4.371 -1.837 1.00 25.00 C ATOM 838 CD GLU A 636 9.533 -4.780 -2.547 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.460 -5.164 -3.732 1.00 25.00 O ATOM 840 OE2 GLU A 636 10.608 -4.713 -1.916 1.00 25.00 O ATOM 0 H GLU A 636 6.141 -1.650 -3.881 1.00 25.00 H new ATOM 0 HA GLU A 636 8.192 -1.560 -1.893 1.00 25.00 H new ATOM 0 HB2 GLU A 636 6.402 -3.327 -2.147 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.177 -3.865 -3.624 1.00 25.00 H new ATOM 0 HG2 GLU A 636 8.506 -3.895 -0.890 1.00 25.00 H new ATOM 0 HG3 GLU A 636 7.677 -5.267 -1.599 1.00 25.00 H new ATOM 847 N GLY A 637 9.107 -1.966 -5.020 1.00 25.00 N ATOM 848 CA GLY A 637 10.257 -2.024 -5.922 1.00 25.00 C ATOM 849 C GLY A 637 11.015 -0.704 -6.018 1.00 25.00 C ATOM 850 O GLY A 637 12.191 -0.686 -6.390 1.00 25.00 O ATOM 0 H GLY A 637 8.213 -1.815 -5.488 1.00 25.00 H new ATOM 0 HA2 GLY A 637 10.939 -2.803 -5.581 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.916 -2.312 -6.916 1.00 25.00 H new ATOM 854 N ASP A 638 10.329 0.397 -5.681 1.00 25.00 N ATOM 855 CA ASP A 638 10.938 1.732 -5.647 1.00 25.00 C ATOM 856 C ASP A 638 11.632 1.974 -4.293 1.00 25.00 C ATOM 857 O ASP A 638 12.487 2.856 -4.171 1.00 25.00 O ATOM 858 CB ASP A 638 9.861 2.801 -5.906 1.00 25.00 C ATOM 859 CG ASP A 638 9.375 2.828 -7.349 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.971 2.123 -8.191 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.399 3.554 -7.632 1.00 25.00 O ATOM 0 H ASP A 638 9.342 0.387 -5.426 1.00 25.00 H new ATOM 0 HA ASP A 638 11.694 1.798 -6.430 1.00 25.00 H new ATOM 0 HB2 ASP A 638 9.012 2.619 -5.247 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.261 3.781 -5.646 1.00 25.00 H new ATOM 866 N MET A 639 11.249 1.170 -3.289 1.00 25.00 N ATOM 867 CA MET A 639 11.805 1.250 -1.930 1.00 25.00 C ATOM 868 C MET A 639 13.263 0.782 -1.859 1.00 25.00 C ATOM 869 O MET A 639 14.041 1.304 -1.059 1.00 25.00 O ATOM 870 CB MET A 639 10.957 0.403 -0.980 1.00 25.00 C ATOM 871 CG MET A 639 9.623 1.023 -0.593 1.00 25.00 C ATOM 872 SD MET A 639 8.736 0.140 0.704 1.00 25.00 S ATOM 873 CE MET A 639 9.641 -1.399 0.686 1.00 25.00 C ATOM 0 H MET A 639 10.542 0.443 -3.398 1.00 25.00 H new ATOM 0 HA MET A 639 11.784 2.299 -1.635 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.771 -0.564 -1.446 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.531 0.214 -0.073 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.795 2.048 -0.265 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.990 1.074 -1.479 1.00 25.00 H new ATOM 0 HE1 MET A 639 9.069 -2.164 1.211 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.805 -1.713 -0.345 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.603 -1.261 1.181 1.00 25.00 H new ATOM 883 N TYR A 640 13.626 -0.197 -2.701 1.00 25.00 N ATOM 884 CA TYR A 640 14.974 -0.785 -2.685 1.00 25.00 C ATOM 885 C TYR A 640 15.990 0.126 -3.395 1.00 25.00 C ATOM 886 O TYR A 640 17.189 0.072 -3.103 1.00 25.00 O ATOM 887 CB TYR A 640 14.948 -2.178 -3.338 1.00 25.00 C ATOM 888 CG TYR A 640 16.237 -2.969 -3.175 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.536 -3.619 -1.982 1.00 25.00 C ATOM 890 CD2 TYR A 640 17.153 -3.060 -4.217 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.707 -4.338 -1.836 1.00 25.00 C ATOM 892 CE2 TYR A 640 18.327 -3.777 -4.078 1.00 25.00 C ATOM 893 CZ TYR A 640 18.592 -4.421 -2.864 1.00 25.00 C ATOM 894 OH TYR A 640 19.764 -5.130 -2.746 1.00 25.00 O ATOM 0 H TYR A 640 13.004 -0.599 -3.402 1.00 25.00 H new ATOM 0 HA TYR A 640 15.290 -0.885 -1.647 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.126 -2.752 -2.910 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.737 -2.064 -4.401 1.00 25.00 H new ATOM 0 HD1 TYR A 640 15.842 -3.561 -1.157 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.944 -2.562 -5.152 1.00 25.00 H new ATOM 0 HE1 TYR A 640 17.920 -4.836 -0.901 1.00 25.00 H new ATOM 0 HE2 TYR A 640 19.030 -3.839 -4.895 1.00 25.00 H new ATOM 0 HH TYR A 640 20.266 -5.074 -3.586 1.00 25.00 H new ATOM 904 N GLU A 641 15.494 0.959 -4.320 1.00 25.00 N ATOM 905 CA GLU A 641 16.327 1.930 -5.043 1.00 25.00 C ATOM 906 C GLU A 641 16.424 3.262 -4.286 1.00 25.00 C ATOM 907 O GLU A 641 17.373 4.028 -4.486 1.00 25.00 O ATOM 908 CB GLU A 641 15.765 2.173 -6.455 1.00 25.00 C ATOM 909 CG GLU A 641 15.782 0.952 -7.368 1.00 25.00 C ATOM 910 CD GLU A 641 17.174 0.385 -7.593 1.00 25.00 C ATOM 911 OE1 GLU A 641 18.064 1.146 -8.026 1.00 25.00 O ATOM 912 OE2 GLU A 641 17.373 -0.823 -7.336 1.00 25.00 O ATOM 0 H GLU A 641 14.510 0.979 -4.587 1.00 25.00 H new ATOM 0 HA GLU A 641 17.329 1.509 -5.121 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.738 2.529 -6.366 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.339 2.970 -6.927 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.147 0.177 -6.938 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.348 1.222 -8.331 1.00 25.00 H new ATOM 919 N SER A 642 15.437 3.523 -3.415 1.00 25.00 N ATOM 920 CA SER A 642 15.365 4.776 -2.655 1.00 25.00 C ATOM 921 C SER A 642 15.971 4.632 -1.250 1.00 25.00 C ATOM 922 O SER A 642 16.500 5.603 -0.700 1.00 25.00 O ATOM 923 CB SER A 642 13.905 5.241 -2.557 1.00 25.00 C ATOM 924 OG SER A 642 13.084 4.253 -1.952 1.00 25.00 O ATOM 0 H SER A 642 14.673 2.876 -3.220 1.00 25.00 H new ATOM 0 HA SER A 642 15.953 5.523 -3.188 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.854 6.163 -1.978 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.527 5.469 -3.554 1.00 25.00 H new ATOM 0 HG SER A 642 12.562 3.794 -2.643 1.00 25.00 H new ATOM 930 N ALA A 643 15.892 3.420 -0.681 1.00 25.00 N ATOM 931 CA ALA A 643 16.376 3.161 0.680 1.00 25.00 C ATOM 932 C ALA A 643 17.758 2.503 0.678 1.00 25.00 C ATOM 933 O ALA A 643 18.120 1.797 -0.269 1.00 25.00 O ATOM 934 CB ALA A 643 15.378 2.290 1.431 1.00 25.00 C ATOM 0 H ALA A 643 15.496 2.603 -1.145 1.00 25.00 H new ATOM 0 HA ALA A 643 16.472 4.121 1.187 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.745 2.103 2.440 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.417 2.801 1.484 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.257 1.342 0.907 1.00 25.00 H new ATOM 940 N ASN A 644 18.521 2.749 1.752 1.00 25.00 N ATOM 941 CA ASN A 644 19.866 2.185 1.913 1.00 25.00 C ATOM 942 C ASN A 644 19.957 1.333 3.193 1.00 25.00 C ATOM 943 O ASN A 644 20.910 0.567 3.367 1.00 25.00 O ATOM 944 CB ASN A 644 20.908 3.320 1.953 1.00 25.00 C ATOM 945 CG ASN A 644 20.950 4.148 0.676 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.433 3.689 -0.360 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.455 5.380 0.753 1.00 25.00 N ATOM 0 H ASN A 644 18.225 3.341 2.528 1.00 25.00 H new ATOM 0 HA ASN A 644 20.073 1.538 1.061 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.688 3.976 2.795 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.894 2.892 2.132 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.466 5.986 -0.067 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.065 5.719 1.632 1.00 25.00 H new ATOM 954 N SER A 645 18.952 1.461 4.070 1.00 25.00 N ATOM 955 CA SER A 645 18.949 0.770 5.361 1.00 25.00 C ATOM 956 C SER A 645 17.608 0.063 5.607 1.00 25.00 C ATOM 957 O SER A 645 16.664 0.228 4.832 1.00 25.00 O ATOM 958 CB SER A 645 19.249 1.767 6.496 1.00 25.00 C ATOM 959 OG SER A 645 18.238 2.758 6.596 1.00 25.00 O ATOM 0 H SER A 645 18.129 2.040 3.905 1.00 25.00 H new ATOM 0 HA SER A 645 19.730 0.010 5.343 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.330 1.231 7.441 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.212 2.245 6.317 1.00 25.00 H new ATOM 0 HG SER A 645 18.456 3.375 7.326 1.00 25.00 H new ATOM 965 N ARG A 646 17.538 -0.725 6.693 1.00 25.00 N ATOM 966 CA ARG A 646 16.334 -1.497 7.042 1.00 25.00 C ATOM 967 C ARG A 646 15.229 -0.595 7.627 1.00 25.00 C ATOM 968 O ARG A 646 14.040 -0.858 7.423 1.00 25.00 O ATOM 969 CB ARG A 646 16.715 -2.622 8.035 1.00 25.00 C ATOM 970 CG ARG A 646 15.654 -2.982 9.089 1.00 25.00 C ATOM 971 CD ARG A 646 15.983 -4.264 9.850 1.00 25.00 C ATOM 972 NE ARG A 646 14.927 -4.615 10.807 1.00 25.00 N ATOM 973 CZ ARG A 646 14.802 -4.097 12.037 1.00 25.00 C ATOM 974 NH1 ARG A 646 15.678 -3.211 12.508 1.00 25.00 N ATOM 975 NH2 ARG A 646 13.790 -4.478 12.805 1.00 25.00 N ATOM 0 H ARG A 646 18.309 -0.844 7.350 1.00 25.00 H new ATOM 0 HA ARG A 646 15.931 -1.941 6.132 1.00 25.00 H new ATOM 0 HB2 ARG A 646 16.949 -3.520 7.463 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.628 -2.328 8.553 1.00 25.00 H new ATOM 0 HG2 ARG A 646 15.559 -2.159 9.798 1.00 25.00 H new ATOM 0 HG3 ARG A 646 14.687 -3.094 8.600 1.00 25.00 H new ATOM 0 HD2 ARG A 646 16.119 -5.082 9.143 1.00 25.00 H new ATOM 0 HD3 ARG A 646 16.927 -4.140 10.380 1.00 25.00 H new ATOM 0 HE ARG A 646 14.236 -5.305 10.514 1.00 25.00 H new ATOM 0 HH11 ARG A 646 16.464 -2.914 11.930 1.00 25.00 H new ATOM 0 HH12 ARG A 646 15.563 -2.830 13.447 1.00 25.00 H new ATOM 0 HH21 ARG A 646 13.115 -5.160 12.458 1.00 25.00 H new ATOM 0 HH22 ARG A 646 13.687 -4.089 13.742 1.00 25.00 H new ATOM 989 N ASP A 647 15.633 0.465 8.341 1.00 25.00 N ATOM 990 CA ASP A 647 14.684 1.392 8.977 1.00 25.00 C ATOM 991 C ASP A 647 14.122 2.412 7.979 1.00 25.00 C ATOM 992 O ASP A 647 13.059 2.987 8.215 1.00 25.00 O ATOM 993 CB ASP A 647 15.350 2.121 10.151 1.00 25.00 C ATOM 994 CG ASP A 647 15.588 1.217 11.349 1.00 25.00 C ATOM 995 OD1 ASP A 647 14.954 0.143 11.417 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.407 1.585 12.215 1.00 25.00 O ATOM 0 H ASP A 647 16.613 0.703 8.493 1.00 25.00 H new ATOM 0 HA ASP A 647 13.851 0.796 9.348 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.302 2.537 9.821 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.723 2.960 10.454 1.00 25.00 H new ATOM 1001 N GLU A 648 14.847 2.633 6.871 1.00 25.00 N ATOM 1002 CA GLU A 648 14.379 3.504 5.786 1.00 25.00 C ATOM 1003 C GLU A 648 13.511 2.704 4.803 1.00 25.00 C ATOM 1004 O GLU A 648 12.457 3.171 4.378 1.00 25.00 O ATOM 1005 CB GLU A 648 15.586 4.158 5.075 1.00 25.00 C ATOM 1006 CG GLU A 648 16.374 5.161 5.923 1.00 25.00 C ATOM 1007 CD GLU A 648 17.649 5.624 5.245 1.00 25.00 C ATOM 1008 OE1 GLU A 648 17.960 5.111 4.150 1.00 25.00 O ATOM 1009 OE2 GLU A 648 18.338 6.501 5.810 1.00 25.00 O ATOM 0 H GLU A 648 15.764 2.217 6.705 1.00 25.00 H new ATOM 0 HA GLU A 648 13.763 4.301 6.202 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.265 3.371 4.747 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.229 4.665 4.179 1.00 25.00 H new ATOM 0 HG2 GLU A 648 15.745 6.026 6.134 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.622 4.705 6.882 1.00 25.00 H new ATOM 1016 N TYR A 649 13.961 1.484 4.479 1.00 25.00 N ATOM 1017 CA TYR A 649 13.241 0.572 3.577 1.00 25.00 C ATOM 1018 C TYR A 649 11.811 0.278 4.083 1.00 25.00 C ATOM 1019 O TYR A 649 10.842 0.418 3.331 1.00 25.00 O ATOM 1020 CB TYR A 649 14.081 -0.721 3.420 1.00 25.00 C ATOM 1021 CG TYR A 649 13.456 -1.827 2.588 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.440 -1.701 1.244 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.914 -2.943 3.209 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.868 -2.718 0.503 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.343 -3.958 2.480 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.321 -3.833 1.105 1.00 25.00 C ATOM 1027 OH TYR A 649 11.733 -4.898 0.452 1.00 25.00 O ATOM 0 H TYR A 649 14.836 1.100 4.835 1.00 25.00 H new ATOM 0 HA TYR A 649 13.118 1.042 2.601 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.039 -0.455 2.973 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.291 -1.116 4.414 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.862 -0.831 0.762 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.941 -3.015 4.286 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.849 -2.638 -0.574 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.925 -4.826 2.967 1.00 25.00 H new ATOM 0 HH TYR A 649 11.494 -4.631 -0.460 1.00 25.00 H new ATOM 1037 N TYR A 650 11.704 -0.127 5.354 1.00 25.00 N ATOM 1038 CA TYR A 650 10.417 -0.453 5.973 1.00 25.00 C ATOM 1039 C TYR A 650 9.574 0.788 6.340 1.00 25.00 C ATOM 1040 O TYR A 650 8.365 0.666 6.557 1.00 25.00 O ATOM 1041 CB TYR A 650 10.646 -1.313 7.224 1.00 25.00 C ATOM 1042 CG TYR A 650 11.289 -2.663 6.939 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.451 -3.064 7.598 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.730 -3.539 6.013 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.031 -4.288 7.341 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.310 -4.766 5.751 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.469 -5.131 6.419 1.00 25.00 C ATOM 1048 OH TYR A 650 13.038 -6.355 6.157 1.00 25.00 O ATOM 0 H TYR A 650 12.503 -0.237 5.978 1.00 25.00 H new ATOM 0 HA TYR A 650 9.846 -1.005 5.227 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.277 -0.761 7.921 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.689 -1.475 7.721 1.00 25.00 H new ATOM 0 HD1 TYR A 650 12.905 -2.404 8.323 1.00 25.00 H new ATOM 0 HD2 TYR A 650 9.828 -3.255 5.491 1.00 25.00 H new ATOM 0 HE1 TYR A 650 13.928 -4.582 7.866 1.00 25.00 H new ATOM 0 HE2 TYR A 650 10.864 -5.436 5.031 1.00 25.00 H new ATOM 0 HH TYR A 650 13.491 -6.684 6.961 1.00 25.00 H new ATOM 1058 N HIS A 651 10.206 1.975 6.402 1.00 25.00 N ATOM 1059 CA HIS A 651 9.503 3.215 6.784 1.00 25.00 C ATOM 1060 C HIS A 651 8.806 3.867 5.581 1.00 25.00 C ATOM 1061 O HIS A 651 7.718 4.432 5.722 1.00 25.00 O ATOM 1062 CB HIS A 651 10.475 4.208 7.426 1.00 25.00 C ATOM 1063 CG HIS A 651 9.865 5.537 7.790 1.00 25.00 C ATOM 1064 ND1 HIS A 651 10.165 6.706 7.119 1.00 25.00 N ATOM 1065 CD2 HIS A 651 8.958 5.878 8.741 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.471 7.703 7.640 1.00 25.00 C ATOM 1067 NE2 HIS A 651 8.732 7.226 8.623 1.00 25.00 N ATOM 0 H HIS A 651 11.196 2.102 6.194 1.00 25.00 H new ATOM 0 HA HIS A 651 8.737 2.943 7.510 1.00 25.00 H new ATOM 0 HB2 HIS A 651 10.893 3.757 8.326 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.304 4.380 6.740 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.500 5.212 9.457 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.503 8.733 7.316 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.095 7.772 9.203 1.00 25.00 H new ATOM 1076 N LEU A 652 9.449 3.789 4.405 1.00 25.00 N ATOM 1077 CA LEU A 652 8.895 4.294 3.139 1.00 25.00 C ATOM 1078 C LEU A 652 7.542 3.651 2.794 1.00 25.00 C ATOM 1079 O LEU A 652 6.638 4.316 2.280 1.00 25.00 O ATOM 1080 CB LEU A 652 9.901 4.019 2.028 1.00 25.00 C ATOM 1081 CG LEU A 652 11.145 4.919 1.962 1.00 25.00 C ATOM 1082 CD1 LEU A 652 12.101 4.538 0.837 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.690 6.350 1.791 1.00 25.00 C ATOM 0 H LEU A 652 10.374 3.371 4.306 1.00 25.00 H new ATOM 0 HA LEU A 652 8.717 5.364 3.245 1.00 25.00 H new ATOM 0 HB2 LEU A 652 10.237 2.987 2.126 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.379 4.095 1.074 1.00 25.00 H new ATOM 0 HG LEU A 652 11.701 4.791 2.891 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.958 5.211 0.844 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.443 3.513 0.982 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.586 4.617 -0.120 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.560 7.005 1.742 1.00 25.00 H new ATOM 0 HD22 LEU A 652 10.115 6.441 0.870 1.00 25.00 H new ATOM 0 HD23 LEU A 652 10.067 6.637 2.638 1.00 25.00 H new ATOM 1095 N LEU A 653 7.434 2.347 3.070 1.00 25.00 N ATOM 1096 CA LEU A 653 6.174 1.598 2.920 1.00 25.00 C ATOM 1097 C LEU A 653 5.161 1.935 4.025 1.00 25.00 C ATOM 1098 O LEU A 653 3.953 1.963 3.773 1.00 25.00 O ATOM 1099 CB LEU A 653 6.453 0.091 2.940 1.00 25.00 C ATOM 1100 CG LEU A 653 5.254 -0.813 2.656 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.488 -1.583 1.378 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.000 -1.774 3.808 1.00 25.00 C ATOM 0 H LEU A 653 8.213 1.779 3.403 1.00 25.00 H new ATOM 0 HA LEU A 653 5.741 1.891 1.964 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.229 -0.125 2.205 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.858 -0.171 3.918 1.00 25.00 H new ATOM 0 HG LEU A 653 4.371 -0.184 2.545 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.631 -2.226 1.179 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.618 -0.885 0.551 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.385 -2.194 1.480 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.141 -2.403 3.575 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.878 -2.401 3.959 1.00 25.00 H new ATOM 0 HD23 LEU A 653 4.799 -1.207 4.717 1.00 25.00 H new ATOM 1114 N ALA A 654 5.667 2.191 5.243 1.00 25.00 N ATOM 1115 CA ALA A 654 4.819 2.485 6.409 1.00 25.00 C ATOM 1116 C ALA A 654 4.240 3.902 6.363 1.00 25.00 C ATOM 1117 O ALA A 654 3.167 4.153 6.919 1.00 25.00 O ATOM 1118 CB ALA A 654 5.609 2.289 7.692 1.00 25.00 C ATOM 0 H ALA A 654 6.667 2.200 5.446 1.00 25.00 H new ATOM 0 HA ALA A 654 3.981 1.789 6.383 1.00 25.00 H new ATOM 0 HB1 ALA A 654 4.972 2.509 8.549 1.00 25.00 H new ATOM 0 HB2 ALA A 654 5.955 1.257 7.752 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.468 2.960 7.697 1.00 25.00 H new ATOM 1124 N GLU A 655 4.956 4.823 5.697 1.00 25.00 N ATOM 1125 CA GLU A 655 4.515 6.222 5.590 1.00 25.00 C ATOM 1126 C GLU A 655 3.358 6.395 4.596 1.00 25.00 C ATOM 1127 O GLU A 655 2.518 7.275 4.782 1.00 25.00 O ATOM 1128 CB GLU A 655 5.692 7.165 5.249 1.00 25.00 C ATOM 1129 CG GLU A 655 5.363 8.655 5.280 1.00 25.00 C ATOM 1130 CD GLU A 655 6.565 9.525 4.965 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.519 9.536 5.772 1.00 25.00 O ATOM 1132 OE2 GLU A 655 6.555 10.194 3.909 1.00 25.00 O ATOM 0 H GLU A 655 5.839 4.624 5.227 1.00 25.00 H new ATOM 0 HA GLU A 655 4.135 6.504 6.572 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.504 6.974 5.951 1.00 25.00 H new ATOM 0 HB3 GLU A 655 6.063 6.912 4.256 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.570 8.863 4.561 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.977 8.918 6.265 1.00 25.00 H new ATOM 1139 N LYS A 656 3.312 5.548 3.552 1.00 25.00 N ATOM 1140 CA LYS A 656 2.150 5.502 2.645 1.00 25.00 C ATOM 1141 C LYS A 656 0.962 4.877 3.376 1.00 25.00 C ATOM 1142 O LYS A 656 -0.190 5.220 3.122 1.00 25.00 O ATOM 1143 CB LYS A 656 2.423 4.676 1.371 1.00 25.00 C ATOM 1144 CG LYS A 656 3.442 5.262 0.390 1.00 25.00 C ATOM 1145 CD LYS A 656 2.960 6.563 -0.244 1.00 25.00 C ATOM 1146 CE LYS A 656 3.971 7.106 -1.241 1.00 25.00 C ATOM 1147 NZ LYS A 656 3.476 8.335 -1.920 1.00 25.00 N ATOM 0 H LYS A 656 4.057 4.892 3.317 1.00 25.00 H new ATOM 0 HA LYS A 656 1.939 6.528 2.344 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.767 3.686 1.672 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.479 4.539 0.843 1.00 25.00 H new ATOM 0 HG2 LYS A 656 4.382 5.442 0.912 1.00 25.00 H new ATOM 0 HG3 LYS A 656 3.647 4.533 -0.394 1.00 25.00 H new ATOM 0 HD2 LYS A 656 2.008 6.393 -0.746 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.782 7.304 0.535 1.00 25.00 H new ATOM 0 HE2 LYS A 656 4.906 7.327 -0.726 1.00 25.00 H new ATOM 0 HE3 LYS A 656 4.191 6.343 -1.987 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 4.194 8.674 -2.592 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 2.597 8.118 -2.433 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 3.290 9.073 -1.211 1.00 25.00 H new ATOM 1161 N ILE A 657 1.282 3.984 4.327 1.00 25.00 N ATOM 1162 CA ILE A 657 0.284 3.253 5.111 1.00 25.00 C ATOM 1163 C ILE A 657 -0.452 4.204 6.078 1.00 25.00 C ATOM 1164 O ILE A 657 -1.625 3.991 6.391 1.00 25.00 O ATOM 1165 CB ILE A 657 0.972 2.041 5.852 1.00 25.00 C ATOM 1166 CG1 ILE A 657 0.876 0.775 4.957 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.408 1.782 7.262 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.398 -0.522 5.579 1.00 25.00 C ATOM 0 H ILE A 657 2.245 3.751 4.571 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.475 2.841 4.446 1.00 25.00 H new ATOM 0 HB ILE A 657 2.018 2.302 6.010 1.00 25.00 H new ATOM 0 HG12 ILE A 657 -0.168 0.628 4.679 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.428 0.962 4.036 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.927 0.936 7.712 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.554 2.667 7.881 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.657 1.559 7.193 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.282 -1.339 4.867 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.452 -0.406 5.830 1.00 25.00 H new ATOM 0 HD13 ILE A 657 0.832 -0.745 6.483 1.00 25.00 H new ATOM 1180 N TYR A 658 0.251 5.247 6.530 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.320 6.226 7.452 1.00 25.00 C ATOM 1182 C TYR A 658 -1.091 7.323 6.695 1.00 25.00 C ATOM 1183 O TYR A 658 -2.106 7.819 7.188 1.00 25.00 O ATOM 1184 CB TYR A 658 0.796 6.847 8.306 1.00 25.00 C ATOM 1185 CG TYR A 658 1.488 5.874 9.248 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.869 5.703 9.216 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.757 5.127 10.166 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.499 4.819 10.071 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.382 4.240 11.024 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.761 4.101 10.975 1.00 25.00 C ATOM 1191 OH TYR A 658 3.378 3.209 11.822 1.00 25.00 O ATOM 0 H TYR A 658 1.220 5.433 6.270 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.028 5.713 8.103 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.543 7.284 7.643 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.375 7.663 8.893 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.458 6.271 8.511 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.316 5.241 10.210 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.571 4.694 10.027 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.801 3.661 11.726 1.00 25.00 H new ATOM 0 HH TYR A 658 2.707 2.787 12.398 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.602 7.683 5.492 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.202 8.765 4.679 1.00 25.00 C ATOM 1203 C LYS A 659 -2.508 8.331 4.013 1.00 25.00 C ATOM 1204 O LYS A 659 -3.423 9.144 3.848 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.226 9.266 3.601 1.00 25.00 C ATOM 1206 CG LYS A 659 0.977 10.055 4.125 1.00 25.00 C ATOM 1207 CD LYS A 659 1.898 10.545 3.003 1.00 25.00 C ATOM 1208 CE LYS A 659 3.085 11.327 3.531 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.927 11.900 2.439 1.00 25.00 N ATOM 0 H LYS A 659 0.209 7.240 5.059 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.421 9.578 5.372 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.140 8.407 3.038 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -0.775 9.895 2.901 1.00 25.00 H new ATOM 0 HG2 LYS A 659 0.622 10.912 4.698 1.00 25.00 H new ATOM 0 HG3 LYS A 659 1.548 9.427 4.810 1.00 25.00 H new ATOM 0 HD2 LYS A 659 2.256 9.689 2.430 1.00 25.00 H new ATOM 0 HD3 LYS A 659 1.329 11.172 2.317 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.728 12.134 4.171 1.00 25.00 H new ATOM 0 HE3 LYS A 659 3.698 10.674 4.153 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.724 12.424 2.854 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 4.292 11.131 1.842 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 3.352 12.545 1.860 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.586 7.048 3.631 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.811 6.471 3.055 1.00 25.00 C ATOM 1225 C ILE A 660 -4.877 6.311 4.159 1.00 25.00 C ATOM 1226 O ILE A 660 -6.073 6.449 3.905 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.522 5.100 2.354 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.700 5.320 1.065 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.827 4.361 2.026 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.182 4.041 0.418 1.00 25.00 C ATOM 0 H ILE A 660 -1.813 6.388 3.711 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.189 7.151 2.291 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.945 4.484 3.044 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.318 5.853 0.342 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.852 5.964 1.296 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.596 3.413 1.540 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.379 4.172 2.946 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.434 4.973 1.358 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.617 4.291 -0.480 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.535 3.515 1.120 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -3.023 3.402 0.151 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.406 6.036 5.380 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.264 5.931 6.566 1.00 25.00 C ATOM 1244 C GLN A 661 -5.810 7.299 7.018 1.00 25.00 C ATOM 1245 O GLN A 661 -6.811 7.359 7.736 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.485 5.273 7.711 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.456 3.740 7.664 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.907 3.058 8.923 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -4.619 2.936 9.919 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -2.657 2.591 8.886 1.00 25.00 N ATOM 0 H GLN A 661 -3.417 5.880 5.574 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.122 5.315 6.296 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.460 5.644 7.696 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -4.923 5.586 8.659 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.469 3.379 7.487 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.853 3.430 6.810 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -2.093 2.709 8.044 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.266 2.116 9.700 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.146 8.386 6.588 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.572 9.761 6.916 1.00 25.00 C ATOM 1261 C LYS A 662 -6.810 10.189 6.118 1.00 25.00 C ATOM 1262 O LYS A 662 -7.693 10.870 6.650 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.441 10.770 6.651 1.00 25.00 C ATOM 1264 CG LYS A 662 -4.803 12.258 6.830 1.00 25.00 C ATOM 1265 CD LYS A 662 -5.246 12.962 5.541 1.00 25.00 C ATOM 1266 CE LYS A 662 -5.363 14.460 5.714 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.841 15.140 4.479 1.00 25.00 N ATOM 0 H LYS A 662 -4.307 8.340 6.009 1.00 25.00 H new ATOM 0 HA LYS A 662 -5.823 9.757 7.977 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.610 10.537 7.317 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.083 10.624 5.632 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -5.602 12.339 7.567 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -3.939 12.783 7.238 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -4.531 12.745 4.748 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -6.207 12.559 5.222 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -6.050 14.676 6.533 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -4.392 14.867 5.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.174 15.894 4.217 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -5.904 14.449 3.704 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -6.780 15.553 4.651 1.00 25.00 H new ATOM 1281 N GLU A 663 -6.862 9.780 4.842 1.00 25.00 N ATOM 1282 CA GLU A 663 -7.933 10.171 3.915 1.00 25.00 C ATOM 1283 C GLU A 663 -9.238 9.435 4.227 1.00 25.00 C ATOM 1284 O GLU A 663 -10.314 10.039 4.235 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.514 9.870 2.463 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.411 10.768 1.907 1.00 25.00 C ATOM 1287 CD GLU A 663 -6.762 12.249 1.923 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -7.820 12.614 1.371 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -5.979 13.039 2.490 1.00 25.00 O ATOM 0 H GLU A 663 -6.161 9.168 4.424 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.101 11.241 4.037 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.181 8.834 2.405 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.391 9.959 1.822 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.501 10.613 2.487 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.191 10.467 0.883 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.123 8.123 4.482 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.278 7.277 4.835 1.00 25.00 C ATOM 1298 C LEU A 664 -10.793 7.562 6.255 1.00 25.00 C ATOM 1299 O LEU A 664 -11.935 7.226 6.584 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.933 5.775 4.696 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.596 5.239 3.277 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -10.098 3.813 3.068 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.145 6.156 2.192 1.00 25.00 C ATOM 0 H LEU A 664 -8.236 7.620 4.450 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.072 7.527 4.132 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.082 5.565 5.344 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.776 5.200 5.080 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.509 5.224 3.200 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -9.840 3.480 2.063 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -9.632 3.153 3.800 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -11.181 3.786 3.192 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -9.892 5.752 1.212 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.229 6.224 2.287 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -9.708 7.149 2.299 1.00 25.00 H new ATOM 1315 N GLU A 665 -9.940 8.189 7.087 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.304 8.572 8.461 1.00 25.00 C ATOM 1317 C GLU A 665 -11.295 9.754 8.461 1.00 25.00 C ATOM 1318 O GLU A 665 -12.017 9.964 9.440 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.032 8.919 9.256 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.710 7.961 10.402 1.00 25.00 C ATOM 1321 CD GLU A 665 -9.372 8.369 11.704 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -9.545 9.586 11.926 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -9.719 7.472 12.501 1.00 25.00 O ATOM 0 H GLU A 665 -8.987 8.442 6.827 1.00 25.00 H new ATOM 0 HA GLU A 665 -10.801 7.729 8.942 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.186 8.939 8.569 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.137 9.925 9.661 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.034 6.956 10.133 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -7.630 7.920 10.544 1.00 25.00 H new ATOM 1694 N SER B 536 -11.191 8.475 -3.342 1.00 25.00 N ATOM 1695 CA SER B 536 -12.158 8.103 -4.377 1.00 25.00 C ATOM 1696 C SER B 536 -11.955 6.664 -4.862 1.00 25.00 C ATOM 1697 O SER B 536 -12.929 5.949 -5.104 1.00 25.00 O ATOM 1698 CB SER B 536 -12.067 9.076 -5.559 1.00 25.00 C ATOM 1699 OG SER B 536 -10.775 9.060 -6.147 1.00 25.00 O ATOM 0 HA SER B 536 -13.152 8.162 -3.933 1.00 25.00 H new ATOM 0 HB2 SER B 536 -12.812 8.810 -6.309 1.00 25.00 H new ATOM 0 HB3 SER B 536 -12.301 10.085 -5.220 1.00 25.00 H new ATOM 0 HG SER B 536 -10.105 8.863 -5.459 1.00 25.00 H new ATOM 1705 N ILE B 537 -10.687 6.247 -4.991 1.00 25.00 N ATOM 1706 CA ILE B 537 -10.350 4.930 -5.557 1.00 25.00 C ATOM 1707 C ILE B 537 -10.370 3.822 -4.491 1.00 25.00 C ATOM 1708 O ILE B 537 -10.841 2.715 -4.769 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.961 4.946 -6.294 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.977 5.877 -7.546 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.499 3.526 -6.681 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -7.620 6.162 -8.195 1.00 25.00 C ATOM 0 H ILE B 537 -9.878 6.801 -4.712 1.00 25.00 H new ATOM 0 HA ILE B 537 -11.124 4.708 -6.292 1.00 25.00 H new ATOM 0 HB ILE B 537 -8.240 5.351 -5.584 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.628 5.430 -8.297 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -9.426 6.828 -7.260 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.536 3.582 -7.188 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.401 2.918 -5.782 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.233 3.073 -7.347 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -7.758 6.819 -9.054 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.964 6.645 -7.470 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -7.170 5.225 -8.524 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.868 4.116 -3.284 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.770 3.097 -2.232 1.00 25.00 C ATOM 1726 C ALA B 538 -11.103 2.849 -1.531 1.00 25.00 C ATOM 1727 O ALA B 538 -11.282 1.831 -0.861 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.683 3.455 -1.226 1.00 25.00 C ATOM 0 H ALA B 538 -9.528 5.039 -3.014 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.494 2.164 -2.722 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.631 2.684 -0.457 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.723 3.524 -1.737 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.917 4.414 -0.763 1.00 25.00 H new ATOM 1734 N ASP B 539 -12.031 3.777 -1.726 1.00 25.00 N ATOM 1735 CA ASP B 539 -13.401 3.663 -1.206 1.00 25.00 C ATOM 1736 C ASP B 539 -14.302 3.006 -2.264 1.00 25.00 C ATOM 1737 O ASP B 539 -15.320 2.393 -1.931 1.00 25.00 O ATOM 1738 CB ASP B 539 -13.924 5.061 -0.805 1.00 25.00 C ATOM 1739 CG ASP B 539 -13.285 5.623 0.460 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -12.556 4.873 1.141 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -13.510 6.813 0.760 1.00 25.00 O ATOM 0 H ASP B 539 -11.861 4.635 -2.250 1.00 25.00 H new ATOM 0 HA ASP B 539 -13.410 3.033 -0.317 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -13.747 5.754 -1.628 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -15.003 5.006 -0.661 1.00 25.00 H new ATOM 1746 N MET B 540 -13.908 3.152 -3.540 1.00 25.00 N ATOM 1747 CA MET B 540 -14.511 2.402 -4.649 1.00 25.00 C ATOM 1748 C MET B 540 -14.011 0.956 -4.654 1.00 25.00 C ATOM 1749 O MET B 540 -14.654 0.063 -5.215 1.00 25.00 O ATOM 1750 CB MET B 540 -14.167 3.057 -5.986 1.00 25.00 C ATOM 1751 CG MET B 540 -14.960 4.328 -6.278 1.00 25.00 C ATOM 1752 SD MET B 540 -14.387 5.208 -7.752 1.00 25.00 S ATOM 1753 CE MET B 540 -14.928 4.124 -9.077 1.00 25.00 C ATOM 0 H MET B 540 -13.166 3.790 -3.828 1.00 25.00 H new ATOM 0 HA MET B 540 -15.592 2.408 -4.511 1.00 25.00 H new ATOM 0 HB2 MET B 540 -13.103 3.294 -6.000 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.344 2.339 -6.787 1.00 25.00 H new ATOM 0 HG2 MET B 540 -16.012 4.071 -6.403 1.00 25.00 H new ATOM 0 HG3 MET B 540 -14.895 4.994 -5.418 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.638 4.550 -10.037 1.00 25.00 H new ATOM 0 HE2 MET B 540 -14.463 3.145 -8.959 1.00 25.00 H new ATOM 0 HE3 MET B 540 -16.012 4.018 -9.040 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.855 0.751 -4.011 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.215 -0.556 -3.924 1.00 25.00 C ATOM 1765 C ASP B 541 -12.863 -1.427 -2.834 1.00 25.00 C ATOM 1766 O ASP B 541 -13.320 -2.532 -3.132 1.00 25.00 O ATOM 1767 CB ASP B 541 -10.711 -0.385 -3.665 1.00 25.00 C ATOM 1768 CG ASP B 541 -9.932 0.050 -4.897 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -10.491 -0.026 -6.011 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -8.764 0.461 -4.745 1.00 25.00 O ATOM 0 H ASP B 541 -12.340 1.493 -3.537 1.00 25.00 H new ATOM 0 HA ASP B 541 -12.354 -1.070 -4.875 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.567 0.352 -2.874 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.303 -1.328 -3.300 1.00 25.00 H new ATOM 1775 N PHE B 542 -12.935 -0.921 -1.582 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.415 -1.740 -0.459 1.00 25.00 C ATOM 1777 C PHE B 542 -14.937 -1.955 -0.487 1.00 25.00 C ATOM 1778 O PHE B 542 -15.446 -2.878 0.155 1.00 25.00 O ATOM 1779 CB PHE B 542 -12.950 -1.185 0.911 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.732 -0.056 1.537 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -15.062 -0.205 1.916 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -13.100 1.143 1.806 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -15.736 0.822 2.542 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -13.769 2.171 2.421 1.00 25.00 C ATOM 1785 CZ PHE B 542 -15.088 2.014 2.793 1.00 25.00 C ATOM 0 H PHE B 542 -12.671 0.032 -1.332 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.956 -2.720 -0.588 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.942 -2.014 1.618 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -11.918 -0.851 0.800 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -15.573 -1.136 1.718 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -12.064 1.273 1.528 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -16.768 0.694 2.835 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -13.262 3.105 2.614 1.00 25.00 H new ATOM 0 HZ PHE B 542 -15.613 2.823 3.280 1.00 25.00 H new ATOM 1795 N SER B 543 -15.645 -1.100 -1.235 1.00 25.00 N ATOM 1796 CA SER B 543 -17.096 -1.233 -1.434 1.00 25.00 C ATOM 1797 C SER B 543 -17.420 -2.311 -2.482 1.00 25.00 C ATOM 1798 O SER B 543 -18.523 -2.866 -2.487 1.00 25.00 O ATOM 1799 CB SER B 543 -17.690 0.115 -1.857 1.00 25.00 C ATOM 1800 OG SER B 543 -17.227 0.509 -3.138 1.00 25.00 O ATOM 0 H SER B 543 -15.233 -0.301 -1.717 1.00 25.00 H new ATOM 0 HA SER B 543 -17.543 -1.542 -0.489 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.778 0.047 -1.867 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.425 0.876 -1.123 1.00 25.00 H new ATOM 0 HG SER B 543 -16.505 1.165 -3.038 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.446 -2.596 -3.364 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.576 -3.658 -4.373 1.00 25.00 C ATOM 1808 C ALA B 544 -16.256 -5.034 -3.774 1.00 25.00 C ATOM 1809 O ALA B 544 -16.823 -6.048 -4.189 1.00 25.00 O ATOM 1810 CB ALA B 544 -15.668 -3.369 -5.562 1.00 25.00 C ATOM 0 H ALA B 544 -15.555 -2.101 -3.397 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.610 -3.675 -4.716 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -15.774 -4.163 -6.302 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -15.948 -2.416 -6.010 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.632 -3.322 -5.226 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.340 -5.046 -2.794 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.006 -6.244 -2.023 1.00 25.00 C ATOM 1818 C LEU B 545 -15.987 -6.451 -0.859 1.00 25.00 C ATOM 1819 O LEU B 545 -16.040 -7.530 -0.262 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.578 -6.138 -1.500 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.490 -6.194 -2.583 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.340 -5.241 -2.292 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -11.992 -7.614 -2.737 1.00 25.00 C ATOM 0 H LEU B 545 -14.810 -4.220 -2.516 1.00 25.00 H new ATOM 0 HA LEU B 545 -15.086 -7.109 -2.682 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.476 -5.202 -0.950 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.405 -6.946 -0.789 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.936 -5.868 -3.523 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.596 -5.316 -3.085 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.717 -4.219 -2.244 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.882 -5.504 -1.338 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.221 -7.648 -3.506 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.576 -7.958 -1.790 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.821 -8.261 -3.025 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.765 -5.398 -0.557 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.757 -5.412 0.527 1.00 25.00 C ATOM 1837 C LEU B 546 -19.002 -6.226 0.133 1.00 25.00 C ATOM 1838 O LEU B 546 -19.572 -6.943 0.960 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.148 -3.959 0.876 1.00 25.00 C ATOM 1840 CG LEU B 546 -19.295 -3.771 1.878 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.972 -4.444 3.203 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -19.582 -2.292 2.087 1.00 25.00 C ATOM 0 H LEU B 546 -16.722 -4.512 -1.060 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.316 -5.892 1.401 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -17.266 -3.456 1.272 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -18.418 -3.449 -0.049 1.00 25.00 H new ATOM 0 HG LEU B 546 -20.187 -4.242 1.466 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -19.800 -4.297 3.897 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.819 -5.511 3.041 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -18.066 -4.007 3.622 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -20.398 -2.177 2.800 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.690 -1.799 2.474 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -19.864 -1.838 1.137 1.00 25.00 H new ATOM 1854 N SER B 547 -19.401 -6.097 -1.136 1.00 25.00 N ATOM 1855 CA SER B 547 -20.560 -6.813 -1.690 1.00 25.00 C ATOM 1856 C SER B 547 -20.244 -8.295 -1.968 1.00 25.00 C ATOM 1857 O SER B 547 -21.159 -9.106 -2.137 1.00 25.00 O ATOM 1858 CB SER B 547 -21.031 -6.122 -2.977 1.00 25.00 C ATOM 1859 OG SER B 547 -20.044 -6.191 -3.994 1.00 25.00 O ATOM 0 H SER B 547 -18.931 -5.493 -1.811 1.00 25.00 H new ATOM 0 HA SER B 547 -21.356 -6.784 -0.945 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.950 -6.591 -3.328 1.00 25.00 H new ATOM 0 HB3 SER B 547 -21.266 -5.079 -2.766 1.00 25.00 H new ATOM 0 HG SER B 547 -20.374 -5.744 -4.801 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.946 -8.633 -2.007 1.00 25.00 N ATOM 1866 CA GLN B 548 -18.490 -10.003 -2.300 1.00 25.00 C ATOM 1867 C GLN B 548 -18.606 -10.936 -1.086 1.00 25.00 C ATOM 1868 O GLN B 548 -18.470 -12.156 -1.215 1.00 25.00 O ATOM 1869 CB GLN B 548 -17.043 -9.989 -2.815 1.00 25.00 C ATOM 1870 CG GLN B 548 -16.848 -9.236 -4.134 1.00 25.00 C ATOM 1871 CD GLN B 548 -17.648 -9.805 -5.305 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -17.635 -11.009 -5.575 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -18.358 -8.928 -6.009 1.00 25.00 N ATOM 0 H GLN B 548 -18.188 -7.972 -1.838 1.00 25.00 H new ATOM 0 HA GLN B 548 -19.149 -10.395 -3.074 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.404 -9.538 -2.055 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -16.706 -11.018 -2.945 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -17.130 -8.193 -3.989 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.789 -9.247 -4.393 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -18.344 -7.940 -5.756 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -18.916 -9.243 -6.802 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.865 -10.346 0.083 1.00 25.00 N ATOM 1883 CA ILE B 549 -18.977 -11.100 1.343 1.00 25.00 C ATOM 1884 C ILE B 549 -20.457 -11.373 1.680 1.00 25.00 C ATOM 1885 O ILE B 549 -20.781 -12.410 2.267 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.290 -10.348 2.533 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -16.773 -10.196 2.276 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -18.527 -11.097 3.856 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.094 -9.120 3.110 1.00 25.00 C ATOM 0 H ILE B 549 -19.003 -9.341 0.188 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.459 -12.048 1.200 1.00 25.00 H new ATOM 0 HB ILE B 549 -18.734 -9.355 2.609 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.287 -11.151 2.474 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.617 -9.972 1.221 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.042 -10.559 4.671 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -19.598 -11.162 4.051 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.110 -12.101 3.785 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.033 -9.084 2.864 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.549 -8.153 2.896 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.213 -9.351 4.169 1.00 25.00 H new ATOM 1901 N SER B 550 -21.339 -10.437 1.300 1.00 25.00 N ATOM 1902 CA SER B 550 -22.777 -10.557 1.572 1.00 25.00 C ATOM 1903 C SER B 550 -23.528 -11.154 0.377 1.00 25.00 C ATOM 1904 O SER B 550 -24.432 -11.976 0.557 1.00 25.00 O ATOM 1905 CB SER B 550 -23.367 -9.187 1.930 1.00 25.00 C ATOM 1906 OG SER B 550 -23.177 -8.257 0.878 1.00 25.00 O ATOM 0 H SER B 550 -21.079 -9.586 0.802 1.00 25.00 H new ATOM 0 HA SER B 550 -22.898 -11.234 2.418 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.432 -9.290 2.140 1.00 25.00 H new ATOM 0 HB3 SER B 550 -22.898 -8.812 2.840 1.00 25.00 H new ATOM 0 HG SER B 550 -23.564 -7.393 1.131 1.00 25.00 H new ATOM 1912 N SER B 551 -23.148 -10.732 -0.837 1.00 25.00 N ATOM 1913 CA SER B 551 -23.779 -11.213 -2.066 1.00 25.00 C ATOM 1914 C SER B 551 -22.787 -12.040 -2.894 1.00 25.00 C ATOM 1915 O SER B 551 -21.914 -11.441 -3.563 1.00 25.00 O ATOM 1916 CB SER B 551 -24.322 -10.030 -2.882 1.00 25.00 C ATOM 1917 OG SER B 551 -24.906 -10.464 -4.100 1.00 25.00 O ATOM 1918 OXT SER B 551 -22.892 -13.285 -2.862 1.00 25.00 O ATOM 0 H SER B 551 -22.401 -10.054 -0.990 1.00 25.00 H new ATOM 0 HA SER B 551 -24.615 -11.859 -1.800 1.00 25.00 H new ATOM 0 HB2 SER B 551 -25.064 -9.490 -2.293 1.00 25.00 H new ATOM 0 HB3 SER B 551 -23.513 -9.331 -3.094 1.00 25.00 H new ATOM 0 HG SER B 551 -25.243 -9.689 -4.596 1.00 25.00 H new