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 639 MET CE :methyl -126:sc= -1.34 (180deg=-1.61) USER MOD Set 1.2: A 656 LYS NZ :NH3+ -132:sc= 0.583 (180deg=0.00111) USER MOD Set 2.1: A 609 GLN : amide:sc= 0.518 K(o=1.4,f=-2.7!) USER MOD Set 2.2: A 614 THR OG1 : rot 40:sc= 0.876 USER MOD Set 3.1: A 592 HIS : no HD1:sc= 0 X(o=0,f=0.042) USER MOD Set 3.2: A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1) USER MOD Single : A 596 THR OG1 : rot -160:sc= 0.782 USER MOD Single : A 597 GLN : amide:sc= -0.818 K(o=-0.82,f=0) USER MOD Single : A 601 SER OG : rot -30:sc= 1.16 USER MOD Single : A 602 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=-0.64) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 170:sc= -1.04 (180deg=-1.1) USER MOD Single : A 625 MET CE :methyl -140:sc= -0.406 (180deg=-3.53!) USER MOD Single : A 627 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.4!) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 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 642 SER OG : rot 96:sc= 0.57 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 649 TYR OH : rot -101:sc= 0.187 USER MOD Single : A 650 TYR OH : rot 90:sc=-0.00359 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=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 K(o=0,f=-0.75) USER MOD Single : A 662 LYS NZ :NH3+ -170:sc=-0.00477 (180deg=-0.149) USER MOD Single : B 536 SER OG : rot -27:sc= 0.0562 USER MOD Single : B 540 MET CE :methyl 171:sc= 0 (180deg=-0.119) USER MOD Single : B 543 SER OG : rot -24:sc= 0.0647 USER MOD Single : B 547 SER OG : rot -29:sc= 0.982 USER MOD Single : B 548 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.35) USER MOD Single : B 550 SER OG : rot -83:sc= 0.848 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 23.317 -4.337 4.403 1.00 25.00 N ATOM 73 CA GLY A 590 22.721 -5.253 5.373 1.00 25.00 C ATOM 74 C GLY A 590 21.277 -5.611 5.044 1.00 25.00 C ATOM 75 O GLY A 590 20.804 -6.689 5.409 1.00 25.00 O ATOM 0 HA2 GLY A 590 23.315 -6.166 5.415 1.00 25.00 H new ATOM 0 HA3 GLY A 590 22.761 -4.801 6.364 1.00 25.00 H new ATOM 79 N TRP A 591 20.590 -4.694 4.351 1.00 25.00 N ATOM 80 CA TRP A 591 19.170 -4.847 3.997 1.00 25.00 C ATOM 81 C TRP A 591 18.975 -5.668 2.711 1.00 25.00 C ATOM 82 O TRP A 591 18.003 -6.411 2.596 1.00 25.00 O ATOM 83 CB TRP A 591 18.505 -3.458 3.863 1.00 25.00 C ATOM 84 CG TRP A 591 19.118 -2.544 2.823 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.135 -1.648 3.016 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.736 -2.422 1.443 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.420 -0.994 1.841 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.574 -1.449 0.862 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.774 -3.046 0.638 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.475 -1.086 -0.480 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.679 -2.681 -0.692 1.00 25.00 C ATOM 92 CH2 TRP A 591 18.525 -1.711 -1.238 1.00 25.00 C ATOM 0 H TRP A 591 21.003 -3.823 4.018 1.00 25.00 H new ATOM 0 HA TRP A 591 18.688 -5.401 4.803 1.00 25.00 H new ATOM 0 HB2 TRP A 591 17.451 -3.600 3.622 1.00 25.00 H new ATOM 0 HB3 TRP A 591 18.546 -2.959 4.831 1.00 25.00 H new ATOM 0 HD1 TRP A 591 20.640 -1.479 3.956 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.143 -0.285 1.717 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.118 -3.799 1.049 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 20.126 -0.337 -0.906 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.938 -3.153 -1.320 1.00 25.00 H new ATOM 0 HH2 TRP A 591 18.426 -1.450 -2.281 1.00 25.00 H new ATOM 103 N HIS A 592 19.913 -5.538 1.761 1.00 25.00 N ATOM 104 CA HIS A 592 19.827 -6.230 0.461 1.00 25.00 C ATOM 105 C HIS A 592 19.995 -7.756 0.617 1.00 25.00 C ATOM 106 O HIS A 592 19.361 -8.528 -0.107 1.00 25.00 O ATOM 107 CB HIS A 592 20.894 -5.662 -0.498 1.00 25.00 C ATOM 108 CG HIS A 592 21.105 -6.449 -1.766 1.00 25.00 C ATOM 109 ND1 HIS A 592 22.209 -7.245 -1.980 1.00 25.00 N ATOM 110 CD2 HIS A 592 20.333 -6.578 -2.874 1.00 25.00 C ATOM 111 CE1 HIS A 592 22.110 -7.827 -3.161 1.00 25.00 C ATOM 112 NE2 HIS A 592 20.980 -7.441 -3.723 1.00 25.00 N ATOM 0 H HIS A 592 20.745 -4.957 1.867 1.00 25.00 H new ATOM 0 HA HIS A 592 18.835 -6.055 0.044 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.613 -4.643 -0.765 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.843 -5.602 0.035 1.00 25.00 H new ATOM 0 HD2 HIS A 592 19.386 -6.092 -3.055 1.00 25.00 H new ATOM 0 HE1 HIS A 592 22.831 -8.504 -3.594 1.00 25.00 H new ATOM 0 HE2 HIS A 592 20.642 -7.736 -4.639 1.00 25.00 H new ATOM 121 N GLU A 593 20.852 -8.171 1.562 1.00 25.00 N ATOM 122 CA GLU A 593 21.076 -9.597 1.849 1.00 25.00 C ATOM 123 C GLU A 593 20.048 -10.136 2.854 1.00 25.00 C ATOM 124 O GLU A 593 19.925 -11.351 3.042 1.00 25.00 O ATOM 125 CB GLU A 593 22.495 -9.819 2.379 1.00 25.00 C ATOM 126 CG GLU A 593 23.581 -9.473 1.373 1.00 25.00 C ATOM 127 CD GLU A 593 24.977 -9.632 1.939 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.101 -9.855 3.163 1.00 25.00 O ATOM 129 OE2 GLU A 593 25.949 -9.539 1.161 1.00 25.00 O ATOM 0 H GLU A 593 21.403 -7.538 2.142 1.00 25.00 H new ATOM 0 HA GLU A 593 20.954 -10.145 0.915 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.637 -9.217 3.276 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.604 -10.862 2.675 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.474 -10.112 0.496 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.445 -8.445 1.037 1.00 25.00 H new ATOM 136 N HIS A 594 19.313 -9.213 3.486 1.00 25.00 N ATOM 137 CA HIS A 594 18.283 -9.550 4.470 1.00 25.00 C ATOM 138 C HIS A 594 16.878 -9.560 3.832 1.00 25.00 C ATOM 139 O HIS A 594 15.987 -10.268 4.314 1.00 25.00 O ATOM 140 CB HIS A 594 18.379 -8.545 5.643 1.00 25.00 C ATOM 141 CG HIS A 594 19.454 -8.815 6.660 1.00 25.00 C ATOM 142 ND1 HIS A 594 20.339 -9.868 6.577 1.00 25.00 N ATOM 143 CD2 HIS A 594 19.781 -8.133 7.780 1.00 25.00 C ATOM 144 CE1 HIS A 594 21.167 -9.823 7.608 1.00 25.00 C ATOM 145 NE2 HIS A 594 20.849 -8.778 8.353 1.00 25.00 N ATOM 0 H HIS A 594 19.418 -8.211 3.328 1.00 25.00 H new ATOM 0 HA HIS A 594 18.450 -10.558 4.849 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.540 -7.550 5.229 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.418 -8.525 6.157 1.00 25.00 H new ATOM 0 HD2 HIS A 594 19.293 -7.245 8.155 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.967 -10.521 7.807 1.00 25.00 H new ATOM 0 HE2 HIS A 594 21.320 -8.497 9.213 1.00 25.00 H new ATOM 154 N VAL A 595 16.690 -8.784 2.753 1.00 25.00 N ATOM 155 CA VAL A 595 15.401 -8.728 2.055 1.00 25.00 C ATOM 156 C VAL A 595 15.338 -9.837 0.992 1.00 25.00 C ATOM 157 O VAL A 595 16.237 -9.958 0.152 1.00 25.00 O ATOM 158 CB VAL A 595 15.135 -7.321 1.413 1.00 25.00 C ATOM 159 CG1 VAL A 595 13.875 -7.302 0.539 1.00 25.00 C ATOM 160 CG2 VAL A 595 14.999 -6.260 2.496 1.00 25.00 C ATOM 0 H VAL A 595 17.413 -8.189 2.348 1.00 25.00 H new ATOM 0 HA VAL A 595 14.614 -8.890 2.791 1.00 25.00 H new ATOM 0 HB VAL A 595 15.993 -7.104 0.776 1.00 25.00 H new ATOM 0 HG11 VAL A 595 13.738 -6.305 0.120 1.00 25.00 H new ATOM 0 HG12 VAL A 595 13.982 -8.024 -0.270 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.008 -7.563 1.145 1.00 25.00 H new ATOM 0 HG21 VAL A 595 14.815 -5.290 2.034 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.166 -6.514 3.151 1.00 25.00 H new ATOM 0 HG23 VAL A 595 15.919 -6.215 3.079 1.00 25.00 H new ATOM 170 N THR A 596 14.270 -10.633 1.050 1.00 25.00 N ATOM 171 CA THR A 596 14.070 -11.750 0.125 1.00 25.00 C ATOM 172 C THR A 596 12.955 -11.455 -0.877 1.00 25.00 C ATOM 173 O THR A 596 12.349 -10.380 -0.845 1.00 25.00 O ATOM 174 CB THR A 596 13.722 -13.060 0.877 1.00 25.00 C ATOM 175 OG1 THR A 596 12.431 -12.952 1.493 1.00 25.00 O ATOM 176 CG2 THR A 596 14.765 -13.397 1.927 1.00 25.00 C ATOM 0 H THR A 596 13.523 -10.523 1.735 1.00 25.00 H new ATOM 0 HA THR A 596 15.013 -11.878 -0.407 1.00 25.00 H new ATOM 0 HB THR A 596 13.709 -13.866 0.143 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.352 -13.620 2.205 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.487 -14.321 2.433 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.736 -13.524 1.448 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.823 -12.588 2.655 1.00 25.00 H new ATOM 184 N GLN A 597 12.698 -12.422 -1.767 1.00 25.00 N ATOM 185 CA GLN A 597 11.535 -12.381 -2.657 1.00 25.00 C ATOM 186 C GLN A 597 10.262 -12.761 -1.885 1.00 25.00 C ATOM 187 O GLN A 597 9.146 -12.459 -2.322 1.00 25.00 O ATOM 188 CB GLN A 597 11.723 -13.329 -3.859 1.00 25.00 C ATOM 189 CG GLN A 597 12.812 -12.907 -4.853 1.00 25.00 C ATOM 190 CD GLN A 597 12.995 -13.841 -6.054 1.00 25.00 C ATOM 191 OE1 GLN A 597 13.921 -13.664 -6.845 1.00 25.00 O ATOM 192 NE2 GLN A 597 12.101 -14.815 -6.217 1.00 25.00 N ATOM 0 H GLN A 597 13.286 -13.247 -1.889 1.00 25.00 H new ATOM 0 HA GLN A 597 11.435 -11.364 -3.035 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.961 -14.324 -3.484 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.776 -13.407 -4.393 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.578 -11.908 -5.222 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.760 -12.836 -4.320 1.00 25.00 H new ATOM 0 HE21 GLN A 597 11.346 -14.933 -5.541 1.00 25.00 H new ATOM 0 HE22 GLN A 597 12.171 -15.443 -7.018 1.00 25.00 H new ATOM 201 N ASP A 598 10.453 -13.416 -0.725 1.00 25.00 N ATOM 202 CA ASP A 598 9.345 -13.844 0.134 1.00 25.00 C ATOM 203 C ASP A 598 8.901 -12.711 1.077 1.00 25.00 C ATOM 204 O ASP A 598 7.720 -12.633 1.429 1.00 25.00 O ATOM 205 CB ASP A 598 9.757 -15.091 0.935 1.00 25.00 C ATOM 206 CG ASP A 598 10.071 -16.294 0.057 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.257 -16.604 -0.838 1.00 25.00 O ATOM 208 OD2 ASP A 598 11.130 -16.923 0.268 1.00 25.00 O ATOM 0 H ASP A 598 11.375 -13.660 -0.363 1.00 25.00 H new ATOM 0 HA ASP A 598 8.494 -14.095 -0.499 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.632 -14.853 1.540 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.955 -15.353 1.625 1.00 25.00 H new ATOM 213 N LEU A 599 9.849 -11.840 1.485 1.00 25.00 N ATOM 214 CA LEU A 599 9.526 -10.666 2.311 1.00 25.00 C ATOM 215 C LEU A 599 8.647 -9.669 1.556 1.00 25.00 C ATOM 216 O LEU A 599 7.626 -9.232 2.078 1.00 25.00 O ATOM 217 CB LEU A 599 10.804 -9.954 2.810 1.00 25.00 C ATOM 218 CG LEU A 599 11.517 -10.585 4.020 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.811 -9.846 4.280 1.00 25.00 C ATOM 220 CD2 LEU A 599 10.675 -10.531 5.293 1.00 25.00 C ATOM 0 H LEU A 599 10.839 -11.931 1.255 1.00 25.00 H new ATOM 0 HA LEU A 599 8.971 -11.037 3.173 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.513 -9.907 1.983 1.00 25.00 H new ATOM 0 HB3 LEU A 599 10.544 -8.927 3.065 1.00 25.00 H new ATOM 0 HG LEU A 599 11.695 -11.632 3.774 1.00 25.00 H new ATOM 0 HD11 LEU A 599 13.318 -10.291 5.136 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.453 -9.916 3.402 1.00 25.00 H new ATOM 0 HD13 LEU A 599 12.596 -8.798 4.490 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.226 -10.990 6.114 1.00 25.00 H new ATOM 0 HD22 LEU A 599 10.455 -9.492 5.540 1.00 25.00 H new ATOM 0 HD23 LEU A 599 9.742 -11.072 5.135 1.00 25.00 H new ATOM 232 N ARG A 600 9.028 -9.356 0.306 1.00 25.00 N ATOM 233 CA ARG A 600 8.324 -8.349 -0.518 1.00 25.00 C ATOM 234 C ARG A 600 6.844 -8.698 -0.698 1.00 25.00 C ATOM 235 O ARG A 600 5.993 -7.811 -0.784 1.00 25.00 O ATOM 236 CB ARG A 600 8.979 -8.223 -1.903 1.00 25.00 C ATOM 237 CG ARG A 600 10.347 -7.556 -1.886 1.00 25.00 C ATOM 238 CD ARG A 600 10.994 -7.530 -3.267 1.00 25.00 C ATOM 239 NE ARG A 600 12.284 -6.825 -3.273 1.00 25.00 N ATOM 240 CZ ARG A 600 13.130 -6.781 -4.315 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.844 -7.394 -5.463 1.00 25.00 N ATOM 242 NH2 ARG A 600 14.270 -6.117 -4.203 1.00 25.00 N ATOM 0 H ARG A 600 9.825 -9.788 -0.162 1.00 25.00 H new ATOM 0 HA ARG A 600 8.398 -7.399 0.012 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.077 -9.217 -2.338 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.317 -7.653 -2.555 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.247 -6.536 -1.514 1.00 25.00 H new ATOM 0 HG3 ARG A 600 10.999 -8.086 -1.191 1.00 25.00 H new ATOM 0 HD2 ARG A 600 11.141 -8.553 -3.615 1.00 25.00 H new ATOM 0 HD3 ARG A 600 10.317 -7.048 -3.972 1.00 25.00 H new ATOM 0 HE ARG A 600 12.557 -6.333 -2.422 1.00 25.00 H new ATOM 0 HH11 ARG A 600 11.969 -7.909 -5.562 1.00 25.00 H new ATOM 0 HH12 ARG A 600 13.500 -7.349 -6.243 1.00 25.00 H new ATOM 0 HH21 ARG A 600 14.501 -5.643 -3.330 1.00 25.00 H new ATOM 0 HH22 ARG A 600 14.918 -6.079 -4.990 1.00 25.00 H new ATOM 256 N SER A 601 6.559 -10.004 -0.738 1.00 25.00 N ATOM 257 CA SER A 601 5.186 -10.512 -0.849 1.00 25.00 C ATOM 258 C SER A 601 4.416 -10.342 0.473 1.00 25.00 C ATOM 259 O SER A 601 3.188 -10.215 0.471 1.00 25.00 O ATOM 260 CB SER A 601 5.210 -11.991 -1.256 1.00 25.00 C ATOM 261 OG SER A 601 5.782 -12.798 -0.239 1.00 25.00 O ATOM 0 H SER A 601 7.269 -10.736 -0.695 1.00 25.00 H new ATOM 0 HA SER A 601 4.671 -9.932 -1.614 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.195 -12.329 -1.463 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.779 -12.107 -2.178 1.00 25.00 H new ATOM 0 HG SER A 601 6.445 -12.276 0.259 1.00 25.00 H new ATOM 267 N HIS A 602 5.157 -10.342 1.595 1.00 25.00 N ATOM 268 CA HIS A 602 4.582 -10.128 2.930 1.00 25.00 C ATOM 269 C HIS A 602 4.492 -8.625 3.254 1.00 25.00 C ATOM 270 O HIS A 602 3.709 -8.216 4.113 1.00 25.00 O ATOM 271 CB HIS A 602 5.426 -10.866 3.986 1.00 25.00 C ATOM 272 CG HIS A 602 5.409 -12.367 3.869 1.00 25.00 C ATOM 273 ND1 HIS A 602 4.255 -13.116 3.963 1.00 25.00 N ATOM 274 CD2 HIS A 602 6.414 -13.252 3.659 1.00 25.00 C ATOM 275 CE1 HIS A 602 4.552 -14.397 3.815 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.853 -14.504 3.630 1.00 25.00 N ATOM 0 H HIS A 602 6.166 -10.490 1.600 1.00 25.00 H new ATOM 0 HA HIS A 602 3.570 -10.531 2.945 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.457 -10.521 3.913 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.067 -10.588 4.977 1.00 25.00 H new ATOM 0 HD2 HIS A 602 7.461 -13.016 3.537 1.00 25.00 H new ATOM 0 HE1 HIS A 602 3.848 -15.216 3.841 1.00 25.00 H new ATOM 0 HE2 HIS A 602 6.361 -15.377 3.488 1.00 25.00 H new ATOM 285 N LEU A 603 5.303 -7.820 2.550 1.00 25.00 N ATOM 286 CA LEU A 603 5.282 -6.352 2.670 1.00 25.00 C ATOM 287 C LEU A 603 4.079 -5.779 1.903 1.00 25.00 C ATOM 288 O LEU A 603 3.455 -4.806 2.334 1.00 25.00 O ATOM 289 CB LEU A 603 6.595 -5.754 2.113 1.00 25.00 C ATOM 290 CG LEU A 603 7.949 -6.054 2.840 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.110 -5.484 2.061 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.026 -5.522 4.259 1.00 25.00 C ATOM 0 H LEU A 603 5.991 -8.167 1.882 1.00 25.00 H new ATOM 0 HA LEU A 603 5.192 -6.086 3.723 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.696 -6.092 1.082 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.474 -4.671 2.083 1.00 25.00 H new ATOM 0 HG LEU A 603 8.002 -7.141 2.893 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.041 -5.703 2.583 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.137 -5.932 1.068 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.991 -4.404 1.969 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.995 -5.773 4.689 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.903 -4.439 4.249 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.235 -5.972 4.860 1.00 25.00 H new ATOM 304 N VAL A 604 3.779 -6.412 0.755 1.00 25.00 N ATOM 305 CA VAL A 604 2.580 -6.141 -0.051 1.00 25.00 C ATOM 306 C VAL A 604 1.318 -6.670 0.664 1.00 25.00 C ATOM 307 O VAL A 604 0.262 -6.036 0.610 1.00 25.00 O ATOM 308 CB VAL A 604 2.740 -6.790 -1.467 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.447 -6.808 -2.272 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.805 -6.058 -2.264 1.00 25.00 C ATOM 0 H VAL A 604 4.374 -7.138 0.356 1.00 25.00 H new ATOM 0 HA VAL A 604 2.465 -5.064 -0.174 1.00 25.00 H new ATOM 0 HB VAL A 604 3.032 -7.826 -1.292 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.629 -7.271 -3.242 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.691 -7.379 -1.733 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.095 -5.787 -2.418 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.906 -6.520 -3.246 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.517 -5.013 -2.382 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.757 -6.115 -1.737 1.00 25.00 H new ATOM 320 N HIS A 605 1.450 -7.828 1.333 1.00 25.00 N ATOM 321 CA HIS A 605 0.357 -8.409 2.128 1.00 25.00 C ATOM 322 C HIS A 605 0.158 -7.619 3.433 1.00 25.00 C ATOM 323 O HIS A 605 -0.887 -7.721 4.078 1.00 25.00 O ATOM 324 CB HIS A 605 0.647 -9.889 2.431 1.00 25.00 C ATOM 325 CG HIS A 605 -0.492 -10.621 3.089 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.686 -10.887 2.450 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.615 -11.135 4.339 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.493 -11.529 3.276 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.867 -11.692 4.427 1.00 25.00 N ATOM 0 H HIS A 605 2.307 -8.381 1.338 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.564 -8.347 1.548 1.00 25.00 H new ATOM 0 HB2 HIS A 605 0.899 -10.396 1.500 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.524 -9.951 3.075 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.132 -11.111 5.119 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.494 -11.864 3.048 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.252 -12.157 5.249 1.00 25.00 H new ATOM 338 N LYS A 606 1.183 -6.835 3.795 1.00 25.00 N ATOM 339 CA LYS A 606 1.140 -5.933 4.951 1.00 25.00 C ATOM 340 C LYS A 606 0.509 -4.600 4.529 1.00 25.00 C ATOM 341 O LYS A 606 -0.009 -3.843 5.354 1.00 25.00 O ATOM 342 CB LYS A 606 2.573 -5.706 5.453 1.00 25.00 C ATOM 343 CG LYS A 606 3.016 -6.612 6.591 1.00 25.00 C ATOM 344 CD LYS A 606 4.429 -6.287 7.010 1.00 25.00 C ATOM 345 CE LYS A 606 4.868 -7.154 8.175 1.00 25.00 C ATOM 346 NZ LYS A 606 6.300 -6.942 8.534 1.00 25.00 N ATOM 0 H LYS A 606 2.069 -6.810 3.291 1.00 25.00 H new ATOM 0 HA LYS A 606 0.541 -6.369 5.750 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.259 -5.840 4.616 1.00 25.00 H new ATOM 0 HB3 LYS A 606 2.666 -4.670 5.779 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.343 -6.494 7.440 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.954 -7.654 6.278 1.00 25.00 H new ATOM 0 HD2 LYS A 606 5.104 -6.436 6.168 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.496 -5.236 7.290 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.243 -6.937 9.041 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.711 -8.203 7.923 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.552 -7.556 9.335 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.901 -7.174 7.717 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.447 -5.948 8.801 1.00 25.00 H new ATOM 360 N LEU A 607 0.575 -4.353 3.219 1.00 25.00 N ATOM 361 CA LEU A 607 0.077 -3.136 2.595 1.00 25.00 C ATOM 362 C LEU A 607 -1.415 -3.249 2.262 1.00 25.00 C ATOM 363 O LEU A 607 -2.166 -2.295 2.455 1.00 25.00 O ATOM 364 CB LEU A 607 0.907 -2.884 1.334 1.00 25.00 C ATOM 365 CG LEU A 607 2.135 -1.971 1.505 1.00 25.00 C ATOM 366 CD1 LEU A 607 3.001 -2.036 0.267 1.00 25.00 C ATOM 367 CD2 LEU A 607 1.728 -0.521 1.751 1.00 25.00 C ATOM 0 H LEU A 607 0.985 -5.009 2.554 1.00 25.00 H new ATOM 0 HA LEU A 607 0.177 -2.297 3.284 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.245 -3.845 0.947 1.00 25.00 H new ATOM 0 HB3 LEU A 607 0.257 -2.447 0.576 1.00 25.00 H new ATOM 0 HG LEU A 607 2.690 -2.326 2.373 1.00 25.00 H new ATOM 0 HD11 LEU A 607 3.868 -1.388 0.395 1.00 25.00 H new ATOM 0 HD12 LEU A 607 3.335 -3.062 0.110 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.425 -1.706 -0.598 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.621 0.093 1.867 1.00 25.00 H new ATOM 0 HD22 LEU A 607 1.145 -0.158 0.904 1.00 25.00 H new ATOM 0 HD23 LEU A 607 1.126 -0.461 2.658 1.00 25.00 H new ATOM 379 N VAL A 608 -1.834 -4.437 1.796 1.00 25.00 N ATOM 380 CA VAL A 608 -3.234 -4.700 1.410 1.00 25.00 C ATOM 381 C VAL A 608 -4.146 -4.832 2.652 1.00 25.00 C ATOM 382 O VAL A 608 -5.346 -4.554 2.571 1.00 25.00 O ATOM 383 CB VAL A 608 -3.338 -5.981 0.511 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.787 -6.417 0.281 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.661 -5.754 -0.837 1.00 25.00 C ATOM 0 H VAL A 608 -1.217 -5.240 1.676 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.580 -3.845 0.829 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.827 -6.778 1.051 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.804 -7.308 -0.347 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.256 -6.640 1.239 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.334 -5.614 -0.213 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.746 -6.656 -1.443 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.145 -4.924 -1.352 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.608 -5.520 -0.680 1.00 25.00 H new ATOM 395 N GLN A 609 -3.567 -5.238 3.793 1.00 25.00 N ATOM 396 CA GLN A 609 -4.339 -5.424 5.035 1.00 25.00 C ATOM 397 C GLN A 609 -4.557 -4.092 5.763 1.00 25.00 C ATOM 398 O GLN A 609 -5.536 -3.932 6.499 1.00 25.00 O ATOM 399 CB GLN A 609 -3.676 -6.470 5.959 1.00 25.00 C ATOM 400 CG GLN A 609 -3.833 -7.910 5.493 1.00 25.00 C ATOM 401 CD GLN A 609 -5.282 -8.350 5.305 1.00 25.00 C ATOM 402 OE1 GLN A 609 -6.148 -8.102 6.145 1.00 25.00 O ATOM 403 NE2 GLN A 609 -5.548 -9.014 4.185 1.00 25.00 N ATOM 0 H GLN A 609 -2.572 -5.443 3.883 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.320 -5.809 4.756 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.613 -6.242 6.042 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.101 -6.376 6.958 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -3.301 -8.035 4.550 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.356 -8.569 6.218 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.803 -9.200 3.513 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -6.497 -9.338 3.997 1.00 25.00 H new ATOM 412 N ALA A 610 -3.633 -3.147 5.542 1.00 25.00 N ATOM 413 CA ALA A 610 -3.733 -1.800 6.099 1.00 25.00 C ATOM 414 C ALA A 610 -4.678 -0.916 5.277 1.00 25.00 C ATOM 415 O ALA A 610 -5.356 -0.045 5.828 1.00 25.00 O ATOM 416 CB ALA A 610 -2.352 -1.177 6.167 1.00 25.00 C ATOM 0 H ALA A 610 -2.800 -3.298 4.974 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.150 -1.875 7.103 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.426 -0.172 6.582 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.709 -1.786 6.803 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.927 -1.125 5.165 1.00 25.00 H new ATOM 422 N ILE A 611 -4.722 -1.159 3.956 1.00 25.00 N ATOM 423 CA ILE A 611 -5.606 -0.416 3.046 1.00 25.00 C ATOM 424 C ILE A 611 -7.049 -0.944 3.171 1.00 25.00 C ATOM 425 O ILE A 611 -7.979 -0.163 3.398 1.00 25.00 O ATOM 426 CB ILE A 611 -5.097 -0.487 1.561 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.719 0.193 1.440 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.090 0.183 0.604 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.026 0.029 0.091 1.00 25.00 C ATOM 0 H ILE A 611 -4.152 -1.868 3.494 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.593 0.635 3.334 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.009 -1.538 1.285 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.839 1.258 1.641 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.066 -0.206 2.216 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.712 0.119 -0.416 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.053 -0.323 0.666 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.212 1.230 0.881 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.065 0.544 0.110 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.866 -1.030 -0.109 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.651 0.456 -0.693 1.00 25.00 H new ATOM 441 N PHE A 612 -7.221 -2.266 3.017 1.00 25.00 N ATOM 442 CA PHE A 612 -8.506 -2.916 3.238 1.00 25.00 C ATOM 443 C PHE A 612 -8.305 -4.250 3.999 1.00 25.00 C ATOM 444 O PHE A 612 -7.823 -5.224 3.409 1.00 25.00 O ATOM 445 CB PHE A 612 -9.227 -3.147 1.890 1.00 25.00 C ATOM 446 CG PHE A 612 -10.632 -3.677 2.014 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.711 -2.814 2.127 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.865 -5.040 2.017 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.997 -3.304 2.242 1.00 25.00 C ATOM 450 CE2 PHE A 612 -12.147 -5.538 2.133 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.230 -4.633 2.237 1.00 25.00 C ATOM 0 H PHE A 612 -6.475 -2.903 2.738 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.133 -2.267 3.850 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.255 -2.205 1.342 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.640 -3.846 1.294 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.544 -1.747 2.125 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -10.033 -5.723 1.927 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.825 -2.617 2.337 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.321 -6.604 2.144 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.241 -5.005 2.312 1.00 25.00 H new ATOM 461 N PRO A 613 -8.656 -4.322 5.328 1.00 25.00 N ATOM 462 CA PRO A 613 -8.626 -5.591 6.089 1.00 25.00 C ATOM 463 C PRO A 613 -9.670 -6.593 5.585 1.00 25.00 C ATOM 464 O PRO A 613 -10.819 -6.222 5.321 1.00 25.00 O ATOM 465 CB PRO A 613 -8.942 -5.172 7.535 1.00 25.00 C ATOM 466 CG PRO A 613 -8.598 -3.727 7.610 1.00 25.00 C ATOM 467 CD PRO A 613 -9.067 -3.200 6.201 1.00 25.00 C ATOM 0 HA PRO A 613 -7.665 -6.095 5.986 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -9.993 -5.339 7.772 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -8.358 -5.753 8.249 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -9.119 -3.226 8.426 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -7.531 -3.570 7.769 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -10.142 -3.021 6.164 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.579 -2.265 5.927 1.00 25.00 H new ATOM 475 N THR A 614 -9.259 -7.857 5.454 1.00 25.00 N ATOM 476 CA THR A 614 -10.116 -8.897 4.892 1.00 25.00 C ATOM 477 C THR A 614 -10.661 -9.857 5.956 1.00 25.00 C ATOM 478 O THR A 614 -9.893 -10.587 6.593 1.00 25.00 O ATOM 479 CB THR A 614 -9.398 -9.725 3.814 1.00 25.00 C ATOM 480 OG1 THR A 614 -8.179 -10.279 4.325 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.126 -8.891 2.575 1.00 25.00 C ATOM 0 H THR A 614 -8.333 -8.183 5.732 1.00 25.00 H new ATOM 0 HA THR A 614 -10.949 -8.357 4.442 1.00 25.00 H new ATOM 0 HB THR A 614 -10.057 -10.546 3.531 1.00 25.00 H new ATOM 0 HG1 THR A 614 -8.320 -10.587 5.245 1.00 25.00 H new ATOM 0 HG21 THR A 614 -8.617 -9.502 1.829 1.00 25.00 H new ATOM 0 HG22 THR A 614 -10.069 -8.529 2.166 1.00 25.00 H new ATOM 0 HG23 THR A 614 -8.496 -8.042 2.839 1.00 25.00 H new ATOM 489 N PRO A 615 -12.013 -9.855 6.174 1.00 25.00 N ATOM 490 CA PRO A 615 -12.716 -10.911 6.938 1.00 25.00 C ATOM 491 C PRO A 615 -12.562 -12.295 6.303 1.00 25.00 C ATOM 492 O PRO A 615 -12.198 -13.267 6.971 1.00 25.00 O ATOM 493 CB PRO A 615 -14.181 -10.481 6.859 1.00 25.00 C ATOM 494 CG PRO A 615 -14.134 -9.004 6.743 1.00 25.00 C ATOM 495 CD PRO A 615 -12.958 -8.797 5.746 1.00 25.00 C ATOM 0 HA PRO A 615 -12.322 -11.004 7.950 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -14.680 -10.930 6.000 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -14.733 -10.791 7.746 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -15.069 -8.594 6.362 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -13.944 -8.525 7.703 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -13.272 -8.923 4.710 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -12.522 -7.801 5.828 1.00 25.00 H new ATOM 503 N ASP A 616 -12.860 -12.350 5.003 1.00 25.00 N ATOM 504 CA ASP A 616 -12.752 -13.579 4.209 1.00 25.00 C ATOM 505 C ASP A 616 -11.504 -13.554 3.308 1.00 25.00 C ATOM 506 O ASP A 616 -11.342 -12.628 2.507 1.00 25.00 O ATOM 507 CB ASP A 616 -14.009 -13.773 3.347 1.00 25.00 C ATOM 508 CG ASP A 616 -14.134 -15.182 2.794 1.00 25.00 C ATOM 509 OD1 ASP A 616 -13.117 -15.910 2.782 1.00 25.00 O ATOM 510 OD2 ASP A 616 -15.248 -15.560 2.374 1.00 25.00 O ATOM 0 H ASP A 616 -13.184 -11.543 4.469 1.00 25.00 H new ATOM 0 HA ASP A 616 -12.659 -14.414 4.903 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -14.892 -13.542 3.943 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.989 -13.064 2.520 1.00 25.00 H new ATOM 515 N PRO A 617 -10.585 -14.572 3.434 1.00 25.00 N ATOM 516 CA PRO A 617 -9.405 -14.713 2.538 1.00 25.00 C ATOM 517 C PRO A 617 -9.764 -14.918 1.049 1.00 25.00 C ATOM 518 O PRO A 617 -8.885 -14.865 0.183 1.00 25.00 O ATOM 519 CB PRO A 617 -8.693 -15.965 3.080 1.00 25.00 C ATOM 520 CG PRO A 617 -9.763 -16.761 3.744 1.00 25.00 C ATOM 521 CD PRO A 617 -10.580 -15.633 4.477 1.00 25.00 C ATOM 0 HA PRO A 617 -8.804 -13.804 2.548 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -8.222 -16.530 2.276 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -7.906 -15.697 3.785 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -10.373 -17.309 3.026 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -9.357 -17.493 4.442 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -11.586 -15.957 4.742 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -10.098 -15.305 5.398 1.00 25.00 H new ATOM 529 N ALA A 618 -11.057 -15.154 0.770 1.00 25.00 N ATOM 530 CA ALA A 618 -11.547 -15.397 -0.597 1.00 25.00 C ATOM 531 C ALA A 618 -11.648 -14.106 -1.430 1.00 25.00 C ATOM 532 O ALA A 618 -11.885 -14.163 -2.641 1.00 25.00 O ATOM 533 CB ALA A 618 -12.900 -16.096 -0.540 1.00 25.00 C ATOM 0 H ALA A 618 -11.788 -15.182 1.481 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.819 -16.036 -1.096 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -13.260 -16.275 -1.553 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.796 -17.048 -0.019 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.613 -15.466 -0.007 1.00 25.00 H new ATOM 539 N ALA A 619 -11.454 -12.952 -0.774 1.00 25.00 N ATOM 540 CA ALA A 619 -11.507 -11.641 -1.441 1.00 25.00 C ATOM 541 C ALA A 619 -10.191 -11.299 -2.153 1.00 25.00 C ATOM 542 O ALA A 619 -10.116 -10.315 -2.897 1.00 25.00 O ATOM 543 CB ALA A 619 -11.833 -10.557 -0.425 1.00 25.00 C ATOM 0 H ALA A 619 -11.257 -12.900 0.226 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.289 -11.693 -2.198 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.871 -9.589 -0.925 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.800 -10.767 0.033 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.063 -10.537 0.346 1.00 25.00 H new ATOM 549 N LEU A 620 -9.165 -12.129 -1.927 1.00 25.00 N ATOM 550 CA LEU A 620 -7.823 -11.896 -2.464 1.00 25.00 C ATOM 551 C LEU A 620 -7.692 -12.373 -3.921 1.00 25.00 C ATOM 552 O LEU A 620 -6.686 -12.095 -4.583 1.00 25.00 O ATOM 553 CB LEU A 620 -6.773 -12.606 -1.577 1.00 25.00 C ATOM 554 CG LEU A 620 -6.613 -12.131 -0.103 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.548 -12.935 0.637 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.305 -10.640 -0.015 1.00 25.00 C ATOM 0 H LEU A 620 -9.244 -12.978 -1.368 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.646 -10.820 -2.456 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -7.015 -13.669 -1.560 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.804 -12.508 -2.065 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.573 -12.306 0.383 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.466 -12.574 1.662 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.828 -13.989 0.645 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.588 -12.818 0.133 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.201 -10.351 1.031 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.376 -10.429 -0.544 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.118 -10.073 -0.469 1.00 25.00 H new ATOM 568 N LYS A 621 -8.718 -13.084 -4.408 1.00 25.00 N ATOM 569 CA LYS A 621 -8.745 -13.594 -5.783 1.00 25.00 C ATOM 570 C LYS A 621 -9.718 -12.759 -6.643 1.00 25.00 C ATOM 571 O LYS A 621 -10.085 -13.154 -7.757 1.00 25.00 O ATOM 572 CB LYS A 621 -9.148 -15.088 -5.769 1.00 25.00 C ATOM 573 CG LYS A 621 -10.592 -15.375 -5.342 1.00 25.00 C ATOM 574 CD LYS A 621 -10.908 -16.870 -5.350 1.00 25.00 C ATOM 575 CE LYS A 621 -12.388 -17.145 -5.155 1.00 25.00 C ATOM 576 NZ LYS A 621 -12.840 -16.909 -3.753 1.00 25.00 N ATOM 0 H LYS A 621 -9.547 -13.320 -3.863 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.753 -13.507 -6.226 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -8.994 -15.498 -6.767 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -8.475 -15.622 -5.098 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -10.760 -14.975 -4.342 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -11.278 -14.857 -6.012 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -10.581 -17.303 -6.295 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -10.341 -17.363 -4.560 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -12.963 -16.510 -5.829 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -12.601 -18.178 -5.431 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -13.879 -16.946 -3.712 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -12.443 -17.643 -3.132 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -12.514 -15.974 -3.436 1.00 25.00 H new ATOM 590 N ASP A 622 -10.110 -11.591 -6.116 1.00 25.00 N ATOM 591 CA ASP A 622 -11.078 -10.707 -6.771 1.00 25.00 C ATOM 592 C ASP A 622 -10.381 -9.773 -7.778 1.00 25.00 C ATOM 593 O ASP A 622 -9.157 -9.610 -7.743 1.00 25.00 O ATOM 594 CB ASP A 622 -11.829 -9.900 -5.699 1.00 25.00 C ATOM 595 CG ASP A 622 -12.909 -10.702 -4.987 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.323 -11.750 -5.526 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.336 -10.279 -3.893 1.00 25.00 O ATOM 0 H ASP A 622 -9.764 -11.235 -5.225 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.792 -11.310 -7.331 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.114 -9.534 -4.963 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -12.283 -9.025 -6.165 1.00 25.00 H new ATOM 602 N ARG A 623 -11.181 -9.166 -8.668 1.00 25.00 N ATOM 603 CA ARG A 623 -10.675 -8.274 -9.719 1.00 25.00 C ATOM 604 C ARG A 623 -10.351 -6.872 -9.166 1.00 25.00 C ATOM 605 O ARG A 623 -9.246 -6.361 -9.371 1.00 25.00 O ATOM 606 CB ARG A 623 -11.713 -8.200 -10.866 1.00 25.00 C ATOM 607 CG ARG A 623 -11.316 -7.330 -12.061 1.00 25.00 C ATOM 608 CD ARG A 623 -10.060 -7.845 -12.752 1.00 25.00 C ATOM 609 NE ARG A 623 -9.692 -7.027 -13.914 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.476 -7.004 -14.482 1.00 25.00 C ATOM 611 NH1 ARG A 623 -7.475 -7.746 -14.005 1.00 25.00 N ATOM 612 NH2 ARG A 623 -8.262 -6.231 -15.537 1.00 25.00 N ATOM 0 H ARG A 623 -12.195 -9.280 -8.678 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.741 -8.680 -10.107 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -11.906 -9.211 -11.224 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -12.651 -7.822 -10.459 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -12.137 -7.301 -12.777 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -11.151 -6.306 -11.725 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -9.234 -7.855 -12.041 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.219 -8.875 -13.071 1.00 25.00 H new ATOM 0 HE ARG A 623 -10.414 -6.432 -14.320 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -7.626 -8.346 -13.194 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -6.559 -7.714 -14.452 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -9.019 -5.659 -15.912 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.341 -6.208 -15.974 1.00 25.00 H new ATOM 626 N ARG A 624 -11.325 -6.264 -8.469 1.00 25.00 N ATOM 627 CA ARG A 624 -11.173 -4.918 -7.878 1.00 25.00 C ATOM 628 C ARG A 624 -10.069 -4.867 -6.805 1.00 25.00 C ATOM 629 O ARG A 624 -9.452 -3.819 -6.596 1.00 25.00 O ATOM 630 CB ARG A 624 -12.510 -4.447 -7.270 1.00 25.00 C ATOM 631 CG ARG A 624 -13.615 -4.146 -8.291 1.00 25.00 C ATOM 632 CD ARG A 624 -13.286 -2.955 -9.196 1.00 25.00 C ATOM 633 NE ARG A 624 -13.474 -1.664 -8.517 1.00 25.00 N ATOM 634 CZ ARG A 624 -14.467 -0.799 -8.778 1.00 25.00 C ATOM 635 NH1 ARG A 624 -15.377 -1.055 -9.717 1.00 25.00 N ATOM 636 NH2 ARG A 624 -14.546 0.332 -8.091 1.00 25.00 N ATOM 0 H ARG A 624 -12.237 -6.687 -8.298 1.00 25.00 H new ATOM 0 HA ARG A 624 -10.877 -4.249 -8.686 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.870 -5.213 -6.583 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.327 -3.549 -6.679 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.782 -5.029 -8.908 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.547 -3.946 -7.762 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -12.254 -3.036 -9.537 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -13.918 -2.991 -10.083 1.00 25.00 H new ATOM 0 HE ARG A 624 -12.801 -1.407 -7.795 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -15.327 -1.921 -10.253 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -16.124 -0.385 -9.900 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -13.855 0.540 -7.370 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -15.298 0.994 -8.284 1.00 25.00 H new ATOM 650 N MET A 625 -9.822 -6.008 -6.146 1.00 25.00 N ATOM 651 CA MET A 625 -8.769 -6.126 -5.125 1.00 25.00 C ATOM 652 C MET A 625 -7.382 -6.207 -5.781 1.00 25.00 C ATOM 653 O MET A 625 -6.415 -5.631 -5.278 1.00 25.00 O ATOM 654 CB MET A 625 -9.032 -7.381 -4.269 1.00 25.00 C ATOM 655 CG MET A 625 -8.071 -7.605 -3.092 1.00 25.00 C ATOM 656 SD MET A 625 -8.171 -6.335 -1.807 1.00 25.00 S ATOM 657 CE MET A 625 -9.537 -6.914 -0.800 1.00 25.00 C ATOM 0 H MET A 625 -10.343 -6.871 -6.304 1.00 25.00 H new ATOM 0 HA MET A 625 -8.788 -5.241 -4.489 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.048 -7.323 -3.877 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.990 -8.255 -4.919 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.281 -8.577 -2.645 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.050 -7.643 -3.472 1.00 25.00 H new ATOM 0 HE1 MET A 625 -10.149 -6.065 -0.494 1.00 25.00 H new ATOM 0 HE2 MET A 625 -10.145 -7.610 -1.377 1.00 25.00 H new ATOM 0 HE3 MET A 625 -9.149 -7.419 0.085 1.00 25.00 H new ATOM 667 N GLU A 626 -7.313 -6.927 -6.913 1.00 25.00 N ATOM 668 CA GLU A 626 -6.070 -7.122 -7.672 1.00 25.00 C ATOM 669 C GLU A 626 -5.519 -5.794 -8.243 1.00 25.00 C ATOM 670 O GLU A 626 -4.330 -5.702 -8.563 1.00 25.00 O ATOM 671 CB GLU A 626 -6.316 -8.135 -8.804 1.00 25.00 C ATOM 672 CG GLU A 626 -5.081 -8.460 -9.643 1.00 25.00 C ATOM 673 CD GLU A 626 -5.356 -9.505 -10.709 1.00 25.00 C ATOM 674 OE1 GLU A 626 -6.268 -9.286 -11.534 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.657 -10.540 -10.720 1.00 25.00 O ATOM 0 H GLU A 626 -8.121 -7.391 -7.327 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.315 -7.509 -6.988 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.699 -9.059 -8.371 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -7.094 -7.745 -9.461 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.719 -7.548 -10.118 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.285 -8.815 -8.988 1.00 25.00 H new ATOM 682 N ASN A 627 -6.392 -4.778 -8.356 1.00 25.00 N ATOM 683 CA ASN A 627 -6.029 -3.477 -8.942 1.00 25.00 C ATOM 684 C ASN A 627 -5.083 -2.676 -8.027 1.00 25.00 C ATOM 685 O ASN A 627 -4.127 -2.068 -8.516 1.00 25.00 O ATOM 686 CB ASN A 627 -7.306 -2.664 -9.245 1.00 25.00 C ATOM 687 CG ASN A 627 -8.035 -3.085 -10.524 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.448 -3.735 -11.390 1.00 25.00 O ATOM 689 ND2 ASN A 627 -9.303 -2.702 -10.661 1.00 25.00 N ATOM 0 H ASN A 627 -7.362 -4.835 -8.046 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.492 -3.667 -9.871 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.991 -2.759 -8.403 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -7.041 -1.610 -9.323 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.821 -2.946 -11.505 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.756 -2.164 -9.922 1.00 25.00 H new ATOM 696 N LEU A 628 -5.352 -2.678 -6.708 1.00 25.00 N ATOM 697 CA LEU A 628 -4.493 -1.969 -5.752 1.00 25.00 C ATOM 698 C LEU A 628 -3.322 -2.858 -5.304 1.00 25.00 C ATOM 699 O LEU A 628 -2.301 -2.352 -4.832 1.00 25.00 O ATOM 700 CB LEU A 628 -5.312 -1.378 -4.570 1.00 25.00 C ATOM 701 CG LEU A 628 -6.375 -0.303 -4.864 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.088 0.114 -3.586 1.00 25.00 C ATOM 703 CD2 LEU A 628 -5.718 0.906 -5.495 1.00 25.00 C ATOM 0 H LEU A 628 -6.148 -3.157 -6.288 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.051 -1.110 -6.257 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.812 -2.207 -4.069 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.604 -0.955 -3.858 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.109 -0.723 -5.552 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -7.834 0.874 -3.817 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.578 -0.753 -3.143 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.363 0.520 -2.881 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.473 1.664 -5.702 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -4.973 1.313 -4.812 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.234 0.612 -6.427 1.00 25.00 H new ATOM 715 N VAL A 629 -3.490 -4.189 -5.446 1.00 25.00 N ATOM 716 CA VAL A 629 -2.371 -5.149 -5.329 1.00 25.00 C ATOM 717 C VAL A 629 -1.254 -4.753 -6.309 1.00 25.00 C ATOM 718 O VAL A 629 -0.068 -4.942 -6.034 1.00 25.00 O ATOM 719 CB VAL A 629 -2.854 -6.610 -5.624 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.719 -7.527 -6.091 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.535 -7.211 -4.398 1.00 25.00 C ATOM 0 H VAL A 629 -4.391 -4.625 -5.642 1.00 25.00 H new ATOM 0 HA VAL A 629 -1.989 -5.120 -4.308 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.571 -6.539 -6.442 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.113 -8.526 -6.280 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.283 -7.129 -7.007 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -0.952 -7.580 -5.318 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -3.863 -8.226 -4.625 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -2.831 -7.234 -3.566 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.398 -6.603 -4.127 1.00 25.00 H new ATOM 731 N ALA A 630 -1.681 -4.193 -7.443 1.00 25.00 N ATOM 732 CA ALA A 630 -0.788 -3.701 -8.476 1.00 25.00 C ATOM 733 C ALA A 630 -0.225 -2.315 -8.125 1.00 25.00 C ATOM 734 O ALA A 630 0.791 -1.891 -8.684 1.00 25.00 O ATOM 735 CB ALA A 630 -1.537 -3.686 -9.797 1.00 25.00 C ATOM 0 H ALA A 630 -2.669 -4.070 -7.665 1.00 25.00 H new ATOM 0 HA ALA A 630 0.072 -4.365 -8.557 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.879 -3.318 -10.584 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.865 -4.696 -10.041 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.405 -3.032 -9.715 1.00 25.00 H new ATOM 741 N TYR A 631 -0.900 -1.619 -7.191 1.00 25.00 N ATOM 742 CA TYR A 631 -0.377 -0.382 -6.594 1.00 25.00 C ATOM 743 C TYR A 631 0.741 -0.704 -5.580 1.00 25.00 C ATOM 744 O TYR A 631 1.761 -0.015 -5.539 1.00 25.00 O ATOM 745 CB TYR A 631 -1.528 0.440 -5.927 1.00 25.00 C ATOM 746 CG TYR A 631 -1.070 1.656 -5.121 1.00 25.00 C ATOM 747 CD1 TYR A 631 -0.355 2.693 -5.716 1.00 25.00 C ATOM 748 CD2 TYR A 631 -1.318 1.730 -3.751 1.00 25.00 C ATOM 749 CE1 TYR A 631 0.102 3.762 -4.972 1.00 25.00 C ATOM 750 CE2 TYR A 631 -0.870 2.804 -3.006 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.158 3.812 -3.620 1.00 25.00 C ATOM 752 OH TYR A 631 0.299 4.875 -2.876 1.00 25.00 O ATOM 0 H TYR A 631 -1.814 -1.897 -6.834 1.00 25.00 H new ATOM 0 HA TYR A 631 0.053 0.231 -7.386 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.213 0.776 -6.706 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.093 -0.221 -5.270 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -0.155 2.660 -6.777 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.868 0.937 -3.266 1.00 25.00 H new ATOM 0 HE1 TYR A 631 0.660 4.555 -5.447 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -1.077 2.853 -1.947 1.00 25.00 H new ATOM 0 HH TYR A 631 0.031 4.759 -1.941 1.00 25.00 H new ATOM 762 N ALA A 632 0.525 -1.749 -4.767 1.00 25.00 N ATOM 763 CA ALA A 632 1.460 -2.105 -3.694 1.00 25.00 C ATOM 764 C ALA A 632 2.611 -2.980 -4.204 1.00 25.00 C ATOM 765 O ALA A 632 3.691 -3.003 -3.607 1.00 25.00 O ATOM 766 CB ALA A 632 0.725 -2.787 -2.554 1.00 25.00 C ATOM 0 H ALA A 632 -0.289 -2.361 -4.834 1.00 25.00 H new ATOM 0 HA ALA A 632 1.901 -1.180 -3.321 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.433 -3.044 -1.767 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.032 -2.113 -2.154 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.246 -3.694 -2.921 1.00 25.00 H new ATOM 772 N LYS A 633 2.366 -3.696 -5.315 1.00 25.00 N ATOM 773 CA LYS A 633 3.411 -4.457 -6.021 1.00 25.00 C ATOM 774 C LYS A 633 4.379 -3.494 -6.734 1.00 25.00 C ATOM 775 O LYS A 633 5.504 -3.857 -7.087 1.00 25.00 O ATOM 776 CB LYS A 633 2.757 -5.388 -7.056 1.00 25.00 C ATOM 777 CG LYS A 633 2.316 -6.753 -6.523 1.00 25.00 C ATOM 778 CD LYS A 633 1.563 -7.568 -7.570 1.00 25.00 C ATOM 779 CE LYS A 633 1.661 -9.069 -7.315 1.00 25.00 C ATOM 780 NZ LYS A 633 0.836 -9.865 -8.272 1.00 25.00 N ATOM 0 H LYS A 633 1.444 -3.763 -5.746 1.00 25.00 H new ATOM 0 HA LYS A 633 3.970 -5.049 -5.296 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.888 -4.883 -7.476 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.460 -5.546 -7.874 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.192 -7.311 -6.192 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.680 -6.611 -5.650 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.515 -7.270 -7.574 1.00 25.00 H new ATOM 0 HD3 LYS A 633 1.962 -7.343 -8.559 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.703 -9.380 -7.392 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.338 -9.283 -6.296 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.936 -10.878 -8.058 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.163 -9.589 -8.182 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 1.159 -9.683 -9.244 1.00 25.00 H new ATOM 794 N LYS A 634 3.893 -2.260 -6.923 1.00 25.00 N ATOM 795 CA LYS A 634 4.608 -1.177 -7.600 1.00 25.00 C ATOM 796 C LYS A 634 5.645 -0.515 -6.685 1.00 25.00 C ATOM 797 O LYS A 634 6.799 -0.315 -7.076 1.00 25.00 O ATOM 798 CB LYS A 634 3.573 -0.130 -8.026 1.00 25.00 C ATOM 799 CG LYS A 634 4.125 1.105 -8.744 1.00 25.00 C ATOM 800 CD LYS A 634 3.077 2.188 -9.068 1.00 25.00 C ATOM 801 CE LYS A 634 3.078 3.340 -8.058 1.00 25.00 C ATOM 802 NZ LYS A 634 2.686 4.637 -8.678 1.00 25.00 N ATOM 0 H LYS A 634 2.966 -1.983 -6.599 1.00 25.00 H new ATOM 0 HA LYS A 634 5.142 -1.588 -8.456 1.00 25.00 H new ATOM 0 HB2 LYS A 634 2.846 -0.612 -8.680 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.033 0.201 -7.139 1.00 25.00 H new ATOM 0 HG2 LYS A 634 4.906 1.548 -8.126 1.00 25.00 H new ATOM 0 HG3 LYS A 634 4.597 0.787 -9.674 1.00 25.00 H new ATOM 0 HD2 LYS A 634 3.269 2.585 -10.065 1.00 25.00 H new ATOM 0 HD3 LYS A 634 2.087 1.733 -9.091 1.00 25.00 H new ATOM 0 HE2 LYS A 634 2.392 3.107 -7.244 1.00 25.00 H new ATOM 0 HE3 LYS A 634 4.072 3.435 -7.620 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 2.701 5.386 -7.956 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 3.355 4.875 -9.438 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 1.727 4.557 -9.073 1.00 25.00 H new ATOM 816 N VAL A 635 5.210 -0.194 -5.464 1.00 25.00 N ATOM 817 CA VAL A 635 5.877 0.807 -4.625 1.00 25.00 C ATOM 818 C VAL A 635 7.217 0.343 -4.030 1.00 25.00 C ATOM 819 O VAL A 635 8.154 1.138 -3.967 1.00 25.00 O ATOM 820 CB VAL A 635 4.922 1.351 -3.518 1.00 25.00 C ATOM 821 CG1 VAL A 635 3.762 2.112 -4.156 1.00 25.00 C ATOM 822 CG2 VAL A 635 4.385 0.254 -2.588 1.00 25.00 C ATOM 0 H VAL A 635 4.390 -0.618 -5.030 1.00 25.00 H new ATOM 0 HA VAL A 635 6.129 1.625 -5.300 1.00 25.00 H new ATOM 0 HB VAL A 635 5.514 2.023 -2.897 1.00 25.00 H new ATOM 0 HG11 VAL A 635 3.101 2.488 -3.376 1.00 25.00 H new ATOM 0 HG12 VAL A 635 4.151 2.949 -4.736 1.00 25.00 H new ATOM 0 HG13 VAL A 635 3.205 1.443 -4.812 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.728 0.700 -1.841 1.00 25.00 H new ATOM 0 HG22 VAL A 635 3.827 -0.478 -3.172 1.00 25.00 H new ATOM 0 HG23 VAL A 635 5.219 -0.240 -2.089 1.00 25.00 H new ATOM 832 N GLU A 636 7.318 -0.942 -3.632 1.00 25.00 N ATOM 833 CA GLU A 636 8.547 -1.491 -3.002 1.00 25.00 C ATOM 834 C GLU A 636 9.812 -1.240 -3.845 1.00 25.00 C ATOM 835 O GLU A 636 10.905 -1.074 -3.294 1.00 25.00 O ATOM 836 CB GLU A 636 8.418 -3.001 -2.774 1.00 25.00 C ATOM 837 CG GLU A 636 7.488 -3.398 -1.641 1.00 25.00 C ATOM 838 CD GLU A 636 7.957 -2.847 -0.312 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.127 -3.081 0.051 1.00 25.00 O ATOM 840 OE2 GLU A 636 7.155 -2.168 0.362 1.00 25.00 O ATOM 0 H GLU A 636 6.565 -1.623 -3.734 1.00 25.00 H new ATOM 0 HA GLU A 636 8.651 -0.967 -2.052 1.00 25.00 H new ATOM 0 HB2 GLU A 636 8.064 -3.464 -3.695 1.00 25.00 H new ATOM 0 HB3 GLU A 636 9.408 -3.409 -2.572 1.00 25.00 H new ATOM 0 HG2 GLU A 636 6.482 -3.034 -1.851 1.00 25.00 H new ATOM 0 HG3 GLU A 636 7.428 -4.485 -1.583 1.00 25.00 H new ATOM 847 N GLY A 637 9.644 -1.213 -5.181 1.00 25.00 N ATOM 848 CA GLY A 637 10.762 -0.971 -6.098 1.00 25.00 C ATOM 849 C GLY A 637 11.279 0.463 -6.054 1.00 25.00 C ATOM 850 O GLY A 637 12.408 0.732 -6.474 1.00 25.00 O ATOM 0 H GLY A 637 8.746 -1.356 -5.643 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.577 -1.651 -5.853 1.00 25.00 H new ATOM 0 HA3 GLY A 637 10.446 -1.205 -7.115 1.00 25.00 H new ATOM 854 N ASP A 638 10.442 1.377 -5.544 1.00 25.00 N ATOM 855 CA ASP A 638 10.817 2.781 -5.359 1.00 25.00 C ATOM 856 C ASP A 638 11.520 2.980 -4.002 1.00 25.00 C ATOM 857 O ASP A 638 12.225 3.973 -3.801 1.00 25.00 O ATOM 858 CB ASP A 638 9.563 3.669 -5.466 1.00 25.00 C ATOM 859 CG ASP A 638 8.926 3.650 -6.847 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.659 3.834 -7.842 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.695 3.450 -6.931 1.00 25.00 O ATOM 0 H ASP A 638 9.489 1.162 -5.250 1.00 25.00 H new ATOM 0 HA ASP A 638 11.519 3.070 -6.142 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.829 3.339 -4.731 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.830 4.695 -5.211 1.00 25.00 H new ATOM 866 N MET A 639 11.320 2.018 -3.084 1.00 25.00 N ATOM 867 CA MET A 639 11.964 2.038 -1.762 1.00 25.00 C ATOM 868 C MET A 639 13.408 1.526 -1.819 1.00 25.00 C ATOM 869 O MET A 639 14.220 1.841 -0.942 1.00 25.00 O ATOM 870 CB MET A 639 11.171 1.196 -0.760 1.00 25.00 C ATOM 871 CG MET A 639 9.825 1.783 -0.422 1.00 25.00 C ATOM 872 SD MET A 639 8.758 0.632 0.442 1.00 25.00 S ATOM 873 CE MET A 639 7.247 0.878 -0.466 1.00 25.00 C ATOM 0 H MET A 639 10.713 1.213 -3.237 1.00 25.00 H new ATOM 0 HA MET A 639 11.981 3.078 -1.436 1.00 25.00 H new ATOM 0 HB2 MET A 639 11.031 0.195 -1.168 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.753 1.089 0.155 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.966 2.671 0.193 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.334 2.106 -1.340 1.00 25.00 H new ATOM 0 HE1 MET A 639 6.442 1.122 0.227 1.00 25.00 H new ATOM 0 HE2 MET A 639 7.377 1.697 -1.174 1.00 25.00 H new ATOM 0 HE3 MET A 639 6.996 -0.034 -1.008 1.00 25.00 H new ATOM 883 N TYR A 640 13.714 0.742 -2.860 1.00 25.00 N ATOM 884 CA TYR A 640 15.038 0.132 -3.034 1.00 25.00 C ATOM 885 C TYR A 640 16.061 1.147 -3.566 1.00 25.00 C ATOM 886 O TYR A 640 17.257 1.036 -3.284 1.00 25.00 O ATOM 887 CB TYR A 640 14.924 -1.061 -3.994 1.00 25.00 C ATOM 888 CG TYR A 640 16.227 -1.801 -4.231 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.541 -2.947 -3.510 1.00 25.00 C ATOM 890 CD2 TYR A 640 17.148 -1.346 -5.171 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.731 -3.617 -3.718 1.00 25.00 C ATOM 892 CE2 TYR A 640 18.339 -2.013 -5.386 1.00 25.00 C ATOM 893 CZ TYR A 640 18.609 -3.169 -4.676 1.00 25.00 C ATOM 894 OH TYR A 640 19.811 -3.812 -4.867 1.00 25.00 O ATOM 0 H TYR A 640 13.054 0.513 -3.603 1.00 25.00 H new ATOM 0 HA TYR A 640 15.392 -0.209 -2.061 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.189 -1.762 -3.598 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.542 -0.706 -4.951 1.00 25.00 H new ATOM 0 HD1 TYR A 640 15.843 -3.320 -2.775 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.928 -0.456 -5.742 1.00 25.00 H new ATOM 0 HE1 TYR A 640 17.971 -4.490 -3.130 1.00 25.00 H new ATOM 0 HE2 TYR A 640 19.053 -1.635 -6.103 1.00 25.00 H new ATOM 0 HH TYR A 640 20.310 -3.367 -5.583 1.00 25.00 H new ATOM 904 N GLU A 641 15.570 2.132 -4.333 1.00 25.00 N ATOM 905 CA GLU A 641 16.415 3.192 -4.903 1.00 25.00 C ATOM 906 C GLU A 641 16.550 4.395 -3.956 1.00 25.00 C ATOM 907 O GLU A 641 17.544 5.127 -4.020 1.00 25.00 O ATOM 908 CB GLU A 641 15.848 3.666 -6.255 1.00 25.00 C ATOM 909 CG GLU A 641 15.887 2.623 -7.366 1.00 25.00 C ATOM 910 CD GLU A 641 17.293 2.150 -7.706 1.00 25.00 C ATOM 911 OE1 GLU A 641 18.179 3.009 -7.892 1.00 25.00 O ATOM 912 OE2 GLU A 641 17.505 0.920 -7.784 1.00 25.00 O ATOM 0 H GLU A 641 14.583 2.216 -4.574 1.00 25.00 H new ATOM 0 HA GLU A 641 17.406 2.763 -5.049 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.815 3.982 -6.109 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.407 4.543 -6.580 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.285 1.764 -7.068 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.426 3.040 -8.261 1.00 25.00 H new ATOM 919 N SER A 642 15.553 4.587 -3.080 1.00 25.00 N ATOM 920 CA SER A 642 15.493 5.762 -2.199 1.00 25.00 C ATOM 921 C SER A 642 16.168 5.513 -0.843 1.00 25.00 C ATOM 922 O SER A 642 16.939 6.353 -0.372 1.00 25.00 O ATOM 923 CB SER A 642 14.037 6.188 -1.986 1.00 25.00 C ATOM 924 OG SER A 642 13.432 6.573 -3.209 1.00 25.00 O ATOM 0 H SER A 642 14.773 3.940 -2.963 1.00 25.00 H new ATOM 0 HA SER A 642 16.043 6.562 -2.694 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.476 5.366 -1.543 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.997 7.018 -1.280 1.00 25.00 H new ATOM 0 HG SER A 642 12.941 5.813 -3.584 1.00 25.00 H new ATOM 930 N ALA A 643 15.871 4.359 -0.225 1.00 25.00 N ATOM 931 CA ALA A 643 16.410 4.013 1.096 1.00 25.00 C ATOM 932 C ALA A 643 17.832 3.447 1.014 1.00 25.00 C ATOM 933 O ALA A 643 18.218 2.853 0.003 1.00 25.00 O ATOM 934 CB ALA A 643 15.490 3.021 1.784 1.00 25.00 C ATOM 0 H ALA A 643 15.257 3.648 -0.623 1.00 25.00 H new ATOM 0 HA ALA A 643 16.463 4.932 1.680 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.895 2.768 2.764 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.501 3.464 1.904 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.412 2.117 1.179 1.00 25.00 H new ATOM 940 N ASN A 644 18.599 3.645 2.097 1.00 25.00 N ATOM 941 CA ASN A 644 19.991 3.183 2.170 1.00 25.00 C ATOM 942 C ASN A 644 20.191 2.114 3.261 1.00 25.00 C ATOM 943 O ASN A 644 21.232 1.450 3.295 1.00 25.00 O ATOM 944 CB ASN A 644 20.949 4.373 2.406 1.00 25.00 C ATOM 945 CG ASN A 644 21.073 5.312 1.209 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.719 4.988 0.215 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.439 6.477 1.305 1.00 25.00 N ATOM 0 H ASN A 644 18.275 4.124 2.937 1.00 25.00 H new ATOM 0 HA ASN A 644 20.226 2.721 1.211 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.601 4.942 3.268 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.937 3.987 2.657 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.477 7.144 0.534 1.00 25.00 H new ATOM 0 HD22 ASN A 644 19.914 6.704 2.150 1.00 25.00 H new ATOM 954 N SER A 645 19.190 1.952 4.141 1.00 25.00 N ATOM 955 CA SER A 645 19.279 1.007 5.261 1.00 25.00 C ATOM 956 C SER A 645 18.014 0.136 5.359 1.00 25.00 C ATOM 957 O SER A 645 17.102 0.271 4.539 1.00 25.00 O ATOM 958 CB SER A 645 19.522 1.767 6.579 1.00 25.00 C ATOM 959 OG SER A 645 18.354 2.443 7.014 1.00 25.00 O ATOM 0 H SER A 645 18.309 2.465 4.097 1.00 25.00 H new ATOM 0 HA SER A 645 20.123 0.342 5.079 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.846 1.067 7.349 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.330 2.486 6.442 1.00 25.00 H new ATOM 0 HG SER A 645 18.542 2.913 7.853 1.00 25.00 H new ATOM 965 N ARG A 646 17.968 -0.754 6.365 1.00 25.00 N ATOM 966 CA ARG A 646 16.837 -1.677 6.553 1.00 25.00 C ATOM 967 C ARG A 646 15.662 -0.985 7.268 1.00 25.00 C ATOM 968 O ARG A 646 14.498 -1.247 6.949 1.00 25.00 O ATOM 969 CB ARG A 646 17.299 -2.907 7.358 1.00 25.00 C ATOM 970 CG ARG A 646 16.241 -4.008 7.553 1.00 25.00 C ATOM 971 CD ARG A 646 16.741 -5.213 8.356 1.00 25.00 C ATOM 972 NE ARG A 646 17.023 -4.877 9.761 1.00 25.00 N ATOM 973 CZ ARG A 646 16.089 -4.646 10.697 1.00 25.00 C ATOM 974 NH1 ARG A 646 14.790 -4.711 10.408 1.00 25.00 N ATOM 975 NH2 ARG A 646 16.463 -4.348 11.933 1.00 25.00 N ATOM 0 H ARG A 646 18.705 -0.853 7.063 1.00 25.00 H new ATOM 0 HA ARG A 646 16.488 -1.995 5.571 1.00 25.00 H new ATOM 0 HB2 ARG A 646 18.164 -3.343 6.857 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.634 -2.572 8.340 1.00 25.00 H new ATOM 0 HG2 ARG A 646 15.375 -3.581 8.059 1.00 25.00 H new ATOM 0 HG3 ARG A 646 15.902 -4.350 6.575 1.00 25.00 H new ATOM 0 HD2 ARG A 646 15.994 -6.006 8.318 1.00 25.00 H new ATOM 0 HD3 ARG A 646 17.646 -5.605 7.891 1.00 25.00 H new ATOM 0 HE ARG A 646 18.001 -4.815 10.044 1.00 25.00 H new ATOM 0 HH11 ARG A 646 14.489 -4.940 9.461 1.00 25.00 H new ATOM 0 HH12 ARG A 646 14.096 -4.532 11.134 1.00 25.00 H new ATOM 0 HH21 ARG A 646 17.454 -4.296 12.167 1.00 25.00 H new ATOM 0 HH22 ARG A 646 15.759 -4.171 12.650 1.00 25.00 H new ATOM 989 N ASP A 647 15.984 -0.094 8.219 1.00 25.00 N ATOM 990 CA ASP A 647 14.969 0.622 9.009 1.00 25.00 C ATOM 991 C ASP A 647 14.358 1.790 8.211 1.00 25.00 C ATOM 992 O ASP A 647 13.252 2.244 8.519 1.00 25.00 O ATOM 993 CB ASP A 647 15.595 1.129 10.320 1.00 25.00 C ATOM 994 CG ASP A 647 15.890 0.017 11.316 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.384 -1.106 11.119 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.630 0.274 12.290 1.00 25.00 O ATOM 0 H ASP A 647 16.945 0.149 8.461 1.00 25.00 H new ATOM 0 HA ASP A 647 14.161 -0.072 9.243 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.520 1.658 10.092 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.921 1.851 10.781 1.00 25.00 H new ATOM 1001 N GLU A 648 15.088 2.260 7.189 1.00 25.00 N ATOM 1002 CA GLU A 648 14.610 3.330 6.307 1.00 25.00 C ATOM 1003 C GLU A 648 13.768 2.742 5.167 1.00 25.00 C ATOM 1004 O GLU A 648 12.738 3.307 4.800 1.00 25.00 O ATOM 1005 CB GLU A 648 15.802 4.138 5.757 1.00 25.00 C ATOM 1006 CG GLU A 648 16.556 4.948 6.809 1.00 25.00 C ATOM 1007 CD GLU A 648 17.829 5.573 6.267 1.00 25.00 C ATOM 1008 OE1 GLU A 648 18.164 5.316 5.092 1.00 25.00 O ATOM 1009 OE2 GLU A 648 18.488 6.322 7.019 1.00 25.00 O ATOM 0 H GLU A 648 16.017 1.912 6.954 1.00 25.00 H new ATOM 0 HA GLU A 648 13.977 4.007 6.880 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.499 3.452 5.276 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.440 4.817 4.985 1.00 25.00 H new ATOM 0 HG2 GLU A 648 15.905 5.734 7.192 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.804 4.301 7.651 1.00 25.00 H new ATOM 1016 N TYR A 649 14.216 1.593 4.632 1.00 25.00 N ATOM 1017 CA TYR A 649 13.518 0.880 3.551 1.00 25.00 C ATOM 1018 C TYR A 649 12.064 0.544 3.941 1.00 25.00 C ATOM 1019 O TYR A 649 11.128 0.863 3.200 1.00 25.00 O ATOM 1020 CB TYR A 649 14.344 -0.385 3.180 1.00 25.00 C ATOM 1021 CG TYR A 649 13.714 -1.331 2.167 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.698 -0.998 0.819 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.151 -2.542 2.551 1.00 25.00 C ATOM 1024 CE1 TYR A 649 13.144 -1.835 -0.117 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.589 -3.392 1.615 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.588 -3.033 0.282 1.00 25.00 C ATOM 1027 OH TYR A 649 12.032 -3.874 -0.655 1.00 25.00 O ATOM 0 H TYR A 649 15.073 1.133 4.938 1.00 25.00 H new ATOM 0 HA TYR A 649 13.444 1.521 2.672 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.309 -0.061 2.791 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.541 -0.945 4.094 1.00 25.00 H new ATOM 0 HD1 TYR A 649 14.130 -0.061 0.501 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.152 -2.823 3.594 1.00 25.00 H new ATOM 0 HE1 TYR A 649 13.143 -1.557 -1.161 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.154 -4.330 1.925 1.00 25.00 H new ATOM 0 HH TYR A 649 11.057 -3.776 -0.645 1.00 25.00 H new ATOM 1037 N TYR A 650 11.899 -0.101 5.102 1.00 25.00 N ATOM 1038 CA TYR A 650 10.578 -0.445 5.640 1.00 25.00 C ATOM 1039 C TYR A 650 9.759 0.797 6.053 1.00 25.00 C ATOM 1040 O TYR A 650 8.541 0.704 6.238 1.00 25.00 O ATOM 1041 CB TYR A 650 10.737 -1.377 6.852 1.00 25.00 C ATOM 1042 CG TYR A 650 11.299 -2.752 6.518 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.182 -3.404 7.377 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.943 -3.398 5.339 1.00 25.00 C ATOM 1045 CE1 TYR A 650 12.688 -4.648 7.072 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.448 -4.646 5.027 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.334 -5.267 5.920 1.00 25.00 C ATOM 1048 OH TYR A 650 12.826 -6.508 5.587 1.00 25.00 O ATOM 0 H TYR A 650 12.675 -0.398 5.693 1.00 25.00 H new ATOM 0 HA TYR A 650 10.030 -0.946 4.842 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.391 -0.898 7.580 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.765 -1.501 7.330 1.00 25.00 H new ATOM 0 HD1 TYR A 650 12.475 -2.925 8.299 1.00 25.00 H new ATOM 0 HD2 TYR A 650 10.260 -2.916 4.655 1.00 25.00 H new ATOM 0 HE1 TYR A 650 13.370 -5.133 7.755 1.00 25.00 H new ATOM 0 HE2 TYR A 650 11.164 -5.137 4.108 1.00 25.00 H new ATOM 0 HH TYR A 650 12.231 -7.202 5.942 1.00 25.00 H new ATOM 1058 N HIS A 651 10.431 1.953 6.185 1.00 25.00 N ATOM 1059 CA HIS A 651 9.791 3.186 6.666 1.00 25.00 C ATOM 1060 C HIS A 651 8.985 3.893 5.566 1.00 25.00 C ATOM 1061 O HIS A 651 7.928 4.463 5.853 1.00 25.00 O ATOM 1062 CB HIS A 651 10.842 4.136 7.246 1.00 25.00 C ATOM 1063 CG HIS A 651 10.285 5.407 7.838 1.00 25.00 C ATOM 1064 ND1 HIS A 651 10.429 6.638 7.231 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.575 5.636 8.975 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.833 7.563 7.963 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.307 6.981 9.025 1.00 25.00 N ATOM 0 H HIS A 651 11.421 2.058 5.964 1.00 25.00 H new ATOM 0 HA HIS A 651 9.088 2.901 7.448 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.403 3.608 8.017 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.549 4.397 6.459 1.00 25.00 H new ATOM 0 HD2 HIS A 651 9.277 4.896 9.704 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.784 8.617 7.732 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.786 7.454 9.763 1.00 25.00 H new ATOM 1076 N LEU A 652 9.476 3.853 4.311 1.00 25.00 N ATOM 1077 CA LEU A 652 8.764 4.441 3.172 1.00 25.00 C ATOM 1078 C LEU A 652 7.448 3.700 2.861 1.00 25.00 C ATOM 1079 O LEU A 652 6.518 4.291 2.305 1.00 25.00 O ATOM 1080 CB LEU A 652 9.655 4.443 1.918 1.00 25.00 C ATOM 1081 CG LEU A 652 10.930 5.325 1.902 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.857 5.001 0.734 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.585 6.806 1.929 1.00 25.00 C ATOM 0 H LEU A 652 10.365 3.417 4.066 1.00 25.00 H new ATOM 0 HA LEU A 652 8.518 5.465 3.451 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.964 3.414 1.733 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.035 4.746 1.074 1.00 25.00 H new ATOM 0 HG LEU A 652 11.477 5.087 2.814 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.733 5.649 0.774 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.173 3.960 0.798 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.329 5.162 -0.206 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.503 7.394 1.917 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.983 7.055 1.055 1.00 25.00 H new ATOM 0 HD23 LEU A 652 10.022 7.032 2.834 1.00 25.00 H new ATOM 1095 N LEU A 653 7.383 2.406 3.227 1.00 25.00 N ATOM 1096 CA LEU A 653 6.184 1.581 3.015 1.00 25.00 C ATOM 1097 C LEU A 653 5.170 1.754 4.153 1.00 25.00 C ATOM 1098 O LEU A 653 3.960 1.644 3.933 1.00 25.00 O ATOM 1099 CB LEU A 653 6.566 0.097 2.894 1.00 25.00 C ATOM 1100 CG LEU A 653 6.584 -0.719 4.199 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.200 -1.247 4.491 1.00 25.00 C ATOM 1102 CD2 LEU A 653 7.567 -1.878 4.130 1.00 25.00 C ATOM 0 H LEU A 653 8.154 1.909 3.674 1.00 25.00 H new ATOM 0 HA LEU A 653 5.721 1.916 2.087 1.00 25.00 H new ATOM 0 HB2 LEU A 653 5.869 -0.379 2.204 1.00 25.00 H new ATOM 0 HB3 LEU A 653 7.555 0.036 2.440 1.00 25.00 H new ATOM 0 HG LEU A 653 6.907 -0.054 5.000 1.00 25.00 H new ATOM 0 HD11 LEU A 653 5.218 -1.824 5.416 1.00 25.00 H new ATOM 0 HD12 LEU A 653 4.507 -0.412 4.598 1.00 25.00 H new ATOM 0 HD13 LEU A 653 4.874 -1.887 3.671 1.00 25.00 H new ATOM 0 HD21 LEU A 653 7.548 -2.428 5.071 1.00 25.00 H new ATOM 0 HD22 LEU A 653 7.287 -2.545 3.315 1.00 25.00 H new ATOM 0 HD23 LEU A 653 8.572 -1.493 3.955 1.00 25.00 H new ATOM 1114 N ALA A 654 5.676 2.027 5.368 1.00 25.00 N ATOM 1115 CA ALA A 654 4.828 2.233 6.553 1.00 25.00 C ATOM 1116 C ALA A 654 4.175 3.619 6.552 1.00 25.00 C ATOM 1117 O ALA A 654 3.051 3.777 7.039 1.00 25.00 O ATOM 1118 CB ALA A 654 5.639 2.040 7.823 1.00 25.00 C ATOM 0 H ALA A 654 6.675 2.110 5.555 1.00 25.00 H new ATOM 0 HA ALA A 654 4.031 1.490 6.518 1.00 25.00 H new ATOM 0 HB1 ALA A 654 4.998 2.196 8.691 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.043 1.028 7.847 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.459 2.758 7.844 1.00 25.00 H new ATOM 1124 N GLU A 655 4.886 4.619 6.002 1.00 25.00 N ATOM 1125 CA GLU A 655 4.349 5.986 5.882 1.00 25.00 C ATOM 1126 C GLU A 655 3.301 6.093 4.759 1.00 25.00 C ATOM 1127 O GLU A 655 2.426 6.958 4.813 1.00 25.00 O ATOM 1128 CB GLU A 655 5.480 7.019 5.688 1.00 25.00 C ATOM 1129 CG GLU A 655 5.027 8.475 5.671 1.00 25.00 C ATOM 1130 CD GLU A 655 6.185 9.450 5.570 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.344 9.015 5.730 1.00 25.00 O ATOM 1132 OE2 GLU A 655 5.930 10.651 5.334 1.00 25.00 O ATOM 0 H GLU A 655 5.831 4.507 5.635 1.00 25.00 H new ATOM 0 HA GLU A 655 3.844 6.215 6.820 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.210 6.891 6.487 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.992 6.803 4.751 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.352 8.631 4.829 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.459 8.685 6.578 1.00 25.00 H new ATOM 1139 N LYS A 656 3.398 5.205 3.754 1.00 25.00 N ATOM 1140 CA LYS A 656 2.374 5.064 2.724 1.00 25.00 C ATOM 1141 C LYS A 656 1.138 4.376 3.308 1.00 25.00 C ATOM 1142 O LYS A 656 0.017 4.576 2.842 1.00 25.00 O ATOM 1143 CB LYS A 656 2.924 4.215 1.573 1.00 25.00 C ATOM 1144 CG LYS A 656 4.009 4.873 0.721 1.00 25.00 C ATOM 1145 CD LYS A 656 4.480 3.973 -0.419 1.00 25.00 C ATOM 1146 CE LYS A 656 5.480 4.688 -1.316 1.00 25.00 C ATOM 1147 NZ LYS A 656 6.801 4.860 -0.649 1.00 25.00 N ATOM 0 H LYS A 656 4.189 4.571 3.640 1.00 25.00 H new ATOM 0 HA LYS A 656 2.098 6.053 2.357 1.00 25.00 H new ATOM 0 HB2 LYS A 656 3.325 3.290 1.988 1.00 25.00 H new ATOM 0 HB3 LYS A 656 2.095 3.939 0.922 1.00 25.00 H new ATOM 0 HG2 LYS A 656 3.627 5.807 0.309 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.859 5.128 1.354 1.00 25.00 H new ATOM 0 HD2 LYS A 656 4.937 3.072 -0.008 1.00 25.00 H new ATOM 0 HD3 LYS A 656 3.622 3.654 -1.011 1.00 25.00 H new ATOM 0 HE2 LYS A 656 5.610 4.122 -2.238 1.00 25.00 H new ATOM 0 HE3 LYS A 656 5.084 5.665 -1.595 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 7.121 5.843 -0.761 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 6.710 4.638 0.363 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 7.495 4.219 -1.083 1.00 25.00 H new ATOM 1161 N ILE A 657 1.383 3.578 4.357 1.00 25.00 N ATOM 1162 CA ILE A 657 0.345 2.837 5.072 1.00 25.00 C ATOM 1163 C ILE A 657 -0.489 3.785 5.963 1.00 25.00 C ATOM 1164 O ILE A 657 -1.668 3.529 6.213 1.00 25.00 O ATOM 1165 CB ILE A 657 1.018 1.660 5.881 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.117 0.410 4.967 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.314 1.337 7.212 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.895 -0.775 5.541 1.00 25.00 C ATOM 0 H ILE A 657 2.319 3.430 4.734 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.358 2.396 4.365 1.00 25.00 H new ATOM 0 HB ILE A 657 2.016 1.989 6.170 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.107 0.076 4.729 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.584 0.706 4.028 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.834 0.518 7.709 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.327 2.218 7.853 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.718 1.045 7.016 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.900 -1.591 4.819 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.920 -0.470 5.751 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.420 -1.110 6.463 1.00 25.00 H new ATOM 1180 N TYR A 658 0.141 4.873 6.423 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.515 5.842 7.305 1.00 25.00 C ATOM 1182 C TYR A 658 -1.310 6.889 6.505 1.00 25.00 C ATOM 1183 O TYR A 658 -2.359 7.352 6.959 1.00 25.00 O ATOM 1184 CB TYR A 658 0.537 6.531 8.187 1.00 25.00 C ATOM 1185 CG TYR A 658 1.238 5.609 9.173 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.627 5.567 9.249 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.511 4.786 10.028 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.269 4.733 10.146 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.147 3.951 10.926 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.525 3.927 10.980 1.00 25.00 C ATOM 1191 OH TYR A 658 3.161 3.097 11.874 1.00 25.00 O ATOM 0 H TYR A 658 1.109 5.104 6.197 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.224 5.304 7.935 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.287 6.991 7.543 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.056 7.336 8.742 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.214 6.197 8.596 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.568 4.800 9.989 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.348 4.713 10.193 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.568 3.319 11.583 1.00 25.00 H new ATOM 0 HH TYR A 658 2.493 2.597 12.388 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.802 7.247 5.311 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.421 8.284 4.457 1.00 25.00 C ATOM 1203 C LYS A 659 -2.733 7.814 3.828 1.00 25.00 C ATOM 1204 O LYS A 659 -3.640 8.620 3.597 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.460 8.735 3.344 1.00 25.00 C ATOM 1206 CG LYS A 659 -0.982 9.861 2.454 1.00 25.00 C ATOM 1207 CD LYS A 659 0.039 10.300 1.399 1.00 25.00 C ATOM 1208 CE LYS A 659 -0.509 11.389 0.495 1.00 25.00 C ATOM 1209 NZ LYS A 659 0.407 11.701 -0.640 1.00 25.00 N ATOM 0 H LYS A 659 0.040 6.832 4.912 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.639 9.126 5.114 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.475 9.058 3.802 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -0.227 7.875 2.716 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -1.895 9.532 1.957 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -1.248 10.716 3.075 1.00 25.00 H new ATOM 0 HD2 LYS A 659 0.940 10.660 1.895 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.329 9.440 0.796 1.00 25.00 H new ATOM 0 HE2 LYS A 659 -1.477 11.078 0.102 1.00 25.00 H new ATOM 0 HE3 LYS A 659 -0.678 12.293 1.081 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 -0.011 12.450 -1.228 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 1.323 12.024 -0.268 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 0.549 10.847 -1.216 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.822 6.508 3.556 1.00 25.00 N ATOM 1224 CA ILE A 660 -4.040 5.899 3.003 1.00 25.00 C ATOM 1225 C ILE A 660 -5.096 5.738 4.113 1.00 25.00 C ATOM 1226 O ILE A 660 -6.300 5.813 3.860 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.730 4.526 2.324 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.855 4.741 1.070 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -5.029 3.804 1.951 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.240 3.474 0.489 1.00 25.00 C ATOM 0 H ILE A 660 -2.061 5.847 3.710 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.437 6.560 2.233 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.183 3.903 3.032 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.461 5.219 0.300 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.052 5.435 1.320 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.793 2.850 1.479 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.619 3.628 2.851 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.601 4.420 1.257 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.644 3.728 -0.388 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.602 3.003 1.237 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -3.033 2.784 0.201 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.609 5.520 5.340 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.447 5.485 6.546 1.00 25.00 C ATOM 1244 C GLN A 661 -6.059 6.860 6.872 1.00 25.00 C ATOM 1245 O GLN A 661 -7.056 6.942 7.592 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.618 4.991 7.738 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.332 3.484 7.731 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.366 2.998 8.817 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.849 3.805 9.590 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.132 1.688 8.906 1.00 25.00 N ATOM 0 H GLN A 661 -3.619 5.362 5.526 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.271 4.798 6.352 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.670 5.528 7.753 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.142 5.245 8.659 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.276 2.951 7.842 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.925 3.212 6.757 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.576 1.045 8.250 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.509 1.329 9.630 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.453 7.930 6.325 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.920 9.311 6.542 1.00 25.00 C ATOM 1261 C LYS A 662 -7.149 9.650 5.689 1.00 25.00 C ATOM 1262 O LYS A 662 -8.060 10.336 6.157 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.806 10.326 6.235 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.180 11.817 6.382 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.077 12.790 5.953 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.495 14.236 6.109 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.661 14.586 5.252 1.00 25.00 N ATOM 0 H LYS A 662 -4.631 7.862 5.724 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.199 9.376 7.594 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.963 10.118 6.894 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.462 10.158 5.214 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.073 12.015 5.790 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.437 12.014 7.423 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -3.182 12.607 6.548 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.813 12.601 4.913 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -4.744 14.429 7.153 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.655 14.883 5.857 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.803 15.616 5.263 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -5.482 14.272 4.277 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -6.513 14.115 5.616 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.159 9.172 4.435 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.241 9.457 3.487 1.00 25.00 C ATOM 1283 C GLU A 663 -9.540 8.712 3.851 1.00 25.00 C ATOM 1284 O GLU A 663 -10.638 9.250 3.689 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.765 9.136 2.056 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.714 10.075 1.465 1.00 25.00 C ATOM 1287 CD GLU A 663 -7.182 11.517 1.413 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -8.279 11.766 0.870 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -6.450 12.396 1.916 1.00 25.00 O ATOM 0 H GLU A 663 -6.421 8.581 4.054 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.485 10.518 3.541 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.362 8.123 2.049 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.634 9.138 1.398 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.803 10.014 2.060 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.461 9.743 0.458 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.388 7.470 4.339 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.514 6.679 4.876 1.00 25.00 C ATOM 1298 C LEU A 664 -11.127 7.310 6.140 1.00 25.00 C ATOM 1299 O LEU A 664 -12.269 7.001 6.497 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.079 5.228 5.204 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.690 4.292 4.027 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.068 2.987 4.516 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.875 4.003 3.118 1.00 25.00 C ATOM 0 H LEU A 664 -8.490 6.987 4.374 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.271 6.668 4.091 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.227 5.282 5.882 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.893 4.753 5.752 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.938 4.827 3.446 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.811 2.363 3.660 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.167 3.206 5.089 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.781 2.459 5.149 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.560 3.345 2.308 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.665 3.519 3.693 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.250 4.938 2.701 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.364 8.194 6.809 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.835 8.904 8.014 1.00 25.00 C ATOM 1317 C GLU A 665 -11.947 9.916 7.691 1.00 25.00 C ATOM 1318 O GLU A 665 -12.678 10.348 8.588 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.671 9.608 8.719 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.901 8.721 9.694 1.00 25.00 C ATOM 1321 CD GLU A 665 -7.708 9.418 10.327 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -7.428 10.575 9.949 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -7.057 8.807 11.200 1.00 25.00 O ATOM 0 H GLU A 665 -9.412 8.435 6.533 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.255 8.153 8.683 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.980 9.986 7.966 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -10.057 10.472 9.259 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.577 8.386 10.481 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.556 7.830 9.169 1.00 25.00 H new ATOM 1694 N SER B 536 -8.197 8.585 -5.489 1.00 25.00 N ATOM 1695 CA SER B 536 -9.532 8.640 -6.093 1.00 25.00 C ATOM 1696 C SER B 536 -10.060 7.231 -6.380 1.00 25.00 C ATOM 1697 O SER B 536 -11.272 7.009 -6.447 1.00 25.00 O ATOM 1698 CB SER B 536 -9.483 9.463 -7.388 1.00 25.00 C ATOM 1699 OG SER B 536 -8.581 8.901 -8.330 1.00 25.00 O ATOM 0 HA SER B 536 -10.212 9.119 -5.389 1.00 25.00 H new ATOM 0 HB2 SER B 536 -10.480 9.515 -7.825 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.181 10.485 -7.159 1.00 25.00 H new ATOM 0 HG SER B 536 -7.883 8.401 -7.857 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.122 6.292 -6.541 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.438 4.888 -6.827 1.00 25.00 C ATOM 1707 C ILE B 537 -9.683 4.097 -5.529 1.00 25.00 C ATOM 1708 O ILE B 537 -10.415 3.103 -5.541 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.289 4.214 -7.671 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.097 4.915 -9.050 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.494 2.698 -7.863 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.891 4.464 -9.877 1.00 25.00 C ATOM 0 H ILE B 537 -8.122 6.483 -6.477 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.356 4.870 -7.415 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.378 4.345 -7.086 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -8.998 4.756 -9.643 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.013 5.988 -8.880 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.671 2.291 -8.451 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.521 2.208 -6.890 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.435 2.521 -8.384 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.863 5.022 -10.813 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -5.975 4.650 -9.316 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.975 3.399 -10.092 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.083 4.548 -4.419 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.137 3.800 -3.159 1.00 25.00 C ATOM 1726 C ALA B 538 -10.428 4.025 -2.375 1.00 25.00 C ATOM 1727 O ALA B 538 -10.765 3.241 -1.481 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.918 4.108 -2.301 1.00 25.00 C ATOM 0 H ALA B 538 -8.558 5.421 -4.369 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.127 2.743 -3.427 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.976 3.544 -1.370 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.013 3.827 -2.840 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.890 5.174 -2.077 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.135 5.089 -2.719 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.443 5.380 -2.155 1.00 25.00 C ATOM 1736 C ASP B 539 -13.552 4.813 -3.055 1.00 25.00 C ATOM 1737 O ASP B 539 -14.700 4.653 -2.630 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.601 6.895 -1.957 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.786 7.462 -0.799 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.319 6.671 0.041 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.624 8.699 -0.740 1.00 25.00 O ATOM 0 H ASP B 539 -10.816 5.778 -3.400 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.530 4.899 -1.181 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.308 7.403 -2.876 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.654 7.121 -1.790 1.00 25.00 H new ATOM 1746 N MET B 540 -13.168 4.518 -4.300 1.00 25.00 N ATOM 1747 CA MET B 540 -14.043 3.887 -5.287 1.00 25.00 C ATOM 1748 C MET B 540 -14.012 2.362 -5.122 1.00 25.00 C ATOM 1749 O MET B 540 -15.014 1.679 -5.355 1.00 25.00 O ATOM 1750 CB MET B 540 -13.566 4.271 -6.692 1.00 25.00 C ATOM 1751 CG MET B 540 -13.978 5.674 -7.145 1.00 25.00 C ATOM 1752 SD MET B 540 -13.363 6.110 -8.789 1.00 25.00 S ATOM 1753 CE MET B 540 -14.303 5.010 -9.850 1.00 25.00 C ATOM 0 H MET B 540 -12.231 4.713 -4.653 1.00 25.00 H new ATOM 0 HA MET B 540 -15.067 4.230 -5.139 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.479 4.198 -6.725 1.00 25.00 H new ATOM 0 HB3 MET B 540 -13.956 3.544 -7.405 1.00 25.00 H new ATOM 0 HG2 MET B 540 -15.066 5.743 -7.142 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.610 6.403 -6.423 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.141 5.283 -10.893 1.00 25.00 H new ATOM 0 HE2 MET B 540 -13.977 3.983 -9.689 1.00 25.00 H new ATOM 0 HE3 MET B 540 -15.364 5.095 -9.614 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.842 1.853 -4.716 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.620 0.416 -4.549 1.00 25.00 C ATOM 1765 C ASP B 541 -13.056 -0.074 -3.156 1.00 25.00 C ATOM 1766 O ASP B 541 -13.300 -1.271 -2.973 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.141 0.092 -4.792 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.812 -0.114 -6.260 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.758 -0.180 -7.073 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.613 -0.208 -6.595 1.00 25.00 O ATOM 0 H ASP B 541 -12.027 2.425 -4.495 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.234 -0.108 -5.282 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.528 0.903 -4.398 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.876 -0.807 -4.236 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.163 0.852 -2.183 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.582 0.501 -0.816 1.00 25.00 C ATOM 1777 C PHE B 542 -15.093 0.219 -0.759 1.00 25.00 C ATOM 1778 O PHE B 542 -15.553 -0.577 0.066 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.213 1.632 0.158 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.454 1.318 1.616 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.555 0.540 2.333 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.584 1.794 2.261 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.781 0.246 3.666 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.814 1.503 3.594 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.912 0.729 4.296 1.00 25.00 C ATOM 0 H PHE B 542 -12.966 1.843 -2.319 1.00 25.00 H new ATOM 0 HA PHE B 542 -13.056 -0.407 -0.520 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.160 1.879 0.024 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.785 2.521 -0.107 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.670 0.160 1.845 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.294 2.399 1.717 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -12.074 -0.360 4.213 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.699 1.881 4.085 1.00 25.00 H new ATOM 0 HZ PHE B 542 -14.090 0.501 5.337 1.00 25.00 H new ATOM 1795 N SER B 543 -15.850 0.885 -1.644 1.00 25.00 N ATOM 1796 CA SER B 543 -17.301 0.690 -1.755 1.00 25.00 C ATOM 1797 C SER B 543 -17.639 -0.544 -2.606 1.00 25.00 C ATOM 1798 O SER B 543 -18.723 -1.121 -2.469 1.00 25.00 O ATOM 1799 CB SER B 543 -17.950 1.942 -2.355 1.00 25.00 C ATOM 1800 OG SER B 543 -17.550 2.142 -3.702 1.00 25.00 O ATOM 0 H SER B 543 -15.475 1.570 -2.299 1.00 25.00 H new ATOM 0 HA SER B 543 -17.698 0.521 -0.754 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.035 1.849 -2.307 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.678 2.814 -1.761 1.00 25.00 H new ATOM 0 HG SER B 543 -16.685 1.708 -3.854 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.698 -0.939 -3.478 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.874 -2.095 -4.364 1.00 25.00 C ATOM 1808 C ALA B 544 -16.512 -3.414 -3.669 1.00 25.00 C ATOM 1809 O ALA B 544 -16.994 -4.478 -4.063 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.039 -1.915 -5.625 1.00 25.00 C ATOM 0 H ALA B 544 -15.800 -0.468 -3.587 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.929 -2.149 -4.631 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.175 -2.777 -6.278 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.357 -1.012 -6.146 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.987 -1.827 -5.355 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.665 -3.330 -2.628 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.237 -4.499 -1.854 1.00 25.00 C ATOM 1818 C LEU B 545 -16.303 -4.946 -0.842 1.00 25.00 C ATOM 1819 O LEU B 545 -16.271 -6.084 -0.362 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.924 -4.182 -1.128 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.654 -4.185 -1.999 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.477 -3.578 -1.250 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.295 -5.601 -2.442 1.00 25.00 C ATOM 0 H LEU B 545 -15.261 -2.451 -2.304 1.00 25.00 H new ATOM 0 HA LEU B 545 -15.087 -5.323 -2.552 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -14.018 -3.202 -0.660 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.792 -4.907 -0.325 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.865 -3.580 -2.881 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.593 -3.593 -1.888 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.711 -2.549 -0.977 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -11.282 -4.157 -0.347 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.394 -5.573 -3.055 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -12.117 -6.223 -1.565 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -13.117 -6.020 -3.023 1.00 25.00 H new ATOM 1835 N LEU B 546 -17.248 -4.044 -0.528 1.00 25.00 N ATOM 1836 CA LEU B 546 -18.362 -4.350 0.384 1.00 25.00 C ATOM 1837 C LEU B 546 -19.519 -4.999 -0.378 1.00 25.00 C ATOM 1838 O LEU B 546 -20.286 -5.786 0.184 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.859 -3.072 1.086 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.848 -2.357 1.991 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.478 -1.120 2.614 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.341 -3.285 3.084 1.00 25.00 C ATOM 0 H LEU B 546 -17.262 -3.092 -0.895 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.996 -5.048 1.137 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -19.191 -2.369 0.322 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.733 -3.328 1.685 1.00 25.00 H new ATOM 0 HG LEU B 546 -17.001 -2.055 1.375 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.749 -0.623 3.254 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.795 -0.437 1.826 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.343 -1.413 3.209 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.626 -2.752 3.711 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.179 -3.620 3.695 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.854 -4.149 2.631 1.00 25.00 H new ATOM 1854 N SER B 547 -19.623 -4.646 -1.663 1.00 25.00 N ATOM 1855 CA SER B 547 -20.637 -5.206 -2.569 1.00 25.00 C ATOM 1856 C SER B 547 -20.290 -6.636 -3.014 1.00 25.00 C ATOM 1857 O SER B 547 -21.154 -7.360 -3.519 1.00 25.00 O ATOM 1858 CB SER B 547 -20.796 -4.303 -3.798 1.00 25.00 C ATOM 1859 OG SER B 547 -19.620 -4.304 -4.590 1.00 25.00 O ATOM 0 H SER B 547 -19.008 -3.964 -2.107 1.00 25.00 H new ATOM 0 HA SER B 547 -21.577 -5.252 -2.019 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.641 -4.644 -4.396 1.00 25.00 H new ATOM 0 HB3 SER B 547 -21.022 -3.286 -3.478 1.00 25.00 H new ATOM 0 HG SER B 547 -18.841 -4.466 -4.018 1.00 25.00 H new ATOM 1865 N GLN B 548 -19.022 -7.032 -2.818 1.00 25.00 N ATOM 1866 CA GLN B 548 -18.528 -8.361 -3.223 1.00 25.00 C ATOM 1867 C GLN B 548 -18.975 -9.467 -2.267 1.00 25.00 C ATOM 1868 O GLN B 548 -19.085 -10.634 -2.656 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.998 -8.355 -3.314 1.00 25.00 C ATOM 1870 CG GLN B 548 -16.438 -7.501 -4.445 1.00 25.00 C ATOM 1871 CD GLN B 548 -17.188 -7.642 -5.768 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -17.344 -8.742 -6.304 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -17.653 -6.518 -6.302 1.00 25.00 N ATOM 0 H GLN B 548 -18.313 -6.445 -2.377 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.960 -8.572 -4.201 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.591 -7.996 -2.369 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -16.650 -9.380 -3.442 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -16.458 -6.455 -4.139 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.393 -7.767 -4.603 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -17.503 -5.628 -5.827 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -18.160 -6.545 -7.187 1.00 25.00 H new ATOM 1882 N ILE B 549 -19.233 -9.075 -1.025 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.641 -10.013 0.035 1.00 25.00 C ATOM 1884 C ILE B 549 -21.160 -10.006 0.270 1.00 25.00 C ATOM 1885 O ILE B 549 -21.727 -11.013 0.703 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.898 -9.746 1.383 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -17.360 -9.856 1.221 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -19.411 -10.711 2.454 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.558 -9.359 2.414 1.00 25.00 C ATOM 0 H ILE B 549 -19.168 -8.105 -0.717 1.00 25.00 H new ATOM 0 HA ILE B 549 -19.354 -11.001 -0.325 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.110 -8.724 1.696 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -17.102 -10.899 1.036 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -17.060 -9.291 0.338 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.891 -10.522 3.393 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -20.481 -10.562 2.596 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -19.227 -11.738 2.137 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.493 -9.475 2.210 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.781 -8.307 2.590 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.824 -9.939 3.298 1.00 25.00 H new ATOM 1901 N SER B 550 -21.805 -8.866 -0.019 1.00 25.00 N ATOM 1902 CA SER B 550 -23.250 -8.709 0.184 1.00 25.00 C ATOM 1903 C SER B 550 -24.039 -8.980 -1.103 1.00 25.00 C ATOM 1904 O SER B 550 -25.160 -9.493 -1.049 1.00 25.00 O ATOM 1905 CB SER B 550 -23.563 -7.302 0.701 1.00 25.00 C ATOM 1906 OG SER B 550 -23.085 -6.310 -0.194 1.00 25.00 O ATOM 0 H SER B 550 -21.345 -8.037 -0.395 1.00 25.00 H new ATOM 0 HA SER B 550 -23.558 -9.446 0.926 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.639 -7.190 0.831 1.00 25.00 H new ATOM 0 HB3 SER B 550 -23.107 -7.162 1.681 1.00 25.00 H new ATOM 0 HG SER B 550 -22.134 -6.147 -0.024 1.00 25.00 H new ATOM 1912 N SER B 551 -23.435 -8.630 -2.264 1.00 25.00 N ATOM 1913 CA SER B 551 -24.046 -8.811 -3.603 1.00 25.00 C ATOM 1914 C SER B 551 -25.367 -8.032 -3.741 1.00 25.00 C ATOM 1915 O SER B 551 -26.410 -8.523 -3.254 1.00 25.00 O ATOM 1916 CB SER B 551 -24.250 -10.307 -3.934 1.00 25.00 C ATOM 1917 OG SER B 551 -23.020 -11.016 -3.919 1.00 25.00 O ATOM 1918 OXT SER B 551 -25.341 -6.935 -4.338 1.00 25.00 O ATOM 0 H SER B 551 -22.505 -8.212 -2.298 1.00 25.00 H new ATOM 0 HA SER B 551 -23.345 -8.399 -4.329 1.00 25.00 H new ATOM 0 HB2 SER B 551 -24.935 -10.750 -3.212 1.00 25.00 H new ATOM 0 HB3 SER B 551 -24.715 -10.403 -4.915 1.00 25.00 H new ATOM 0 HG SER B 551 -23.183 -11.959 -4.130 1.00 25.00 H new