USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 592 HIS : no HE2:sc= 1.08 K(o=1.8,f=-7.4!) USER MOD Set 1.2: A 640 TYR OH : rot 180:sc= 0.739 USER MOD Set 2.1: A 606 LYS NZ :NH3+ 167:sc= 0.0393 (180deg=0) USER MOD Set 2.2: A 650 TYR OH : rot 180:sc= 0.036 USER MOD Single : A 594 HIS : no HE2:sc= 0.483 K(o=0.48,f=-3.1!) USER MOD Single : A 596 THR OG1 : rot -150:sc= 0.29 USER MOD Single : A 597 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 601 SER OG : rot -21:sc= 0.67 USER MOD Single : A 602 HIS : no HD1:sc=-0.00743 X(o=-0.0074,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 609 GLN : amide:sc= -0.791 K(o=-0.79,f=0) USER MOD Single : A 614 THR OG1 : rot -75:sc= -0.859 USER MOD Single : A 621 LYS NZ :NH3+ -167:sc= -0.0452 (180deg=-0.253) USER MOD Single : A 625 MET CE :methyl -149:sc= -1.09 (180deg=-3.16!) USER MOD Single : A 627 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.3!) 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 639 MET CE :methyl -167:sc= -4.58! (180deg=-4.92!) USER MOD Single : A 642 SER OG : rot -158:sc= -0.382 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HE2:sc= -0.0171 X(o=-0.017,f=-0.025) USER MOD Single : A 656 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0259) 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=-0.53) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 SER OG : rot 25:sc= 0.0963 USER MOD Single : B 540 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -86:sc= 1.11 USER MOD Single : B 548 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.18) 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 24.507 -5.566 3.377 1.00 25.00 N ATOM 73 CA GLY A 590 23.998 -6.523 4.358 1.00 25.00 C ATOM 74 C GLY A 590 22.478 -6.623 4.393 1.00 25.00 C ATOM 75 O GLY A 590 21.943 -7.617 4.886 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.412 -7.507 4.139 1.00 25.00 H new ATOM 0 HA3 GLY A 590 24.356 -6.239 5.348 1.00 25.00 H new ATOM 79 N TRP A 591 21.787 -5.589 3.885 1.00 25.00 N ATOM 80 CA TRP A 591 20.317 -5.582 3.816 1.00 25.00 C ATOM 81 C TRP A 591 19.812 -6.288 2.548 1.00 25.00 C ATOM 82 O TRP A 591 18.790 -6.971 2.577 1.00 25.00 O ATOM 83 CB TRP A 591 19.770 -4.138 3.897 1.00 25.00 C ATOM 84 CG TRP A 591 19.948 -3.293 2.655 1.00 25.00 C ATOM 85 CD1 TRP A 591 21.118 -2.817 2.135 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.903 -2.808 1.794 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.869 -2.090 0.992 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.516 -2.065 0.768 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.508 -2.938 1.789 1.00 25.00 C ATOM 90 CZ2 TRP A 591 18.781 -1.454 -0.250 1.00 25.00 C ATOM 91 CZ3 TRP A 591 16.785 -2.330 0.781 1.00 25.00 C ATOM 92 CH2 TRP A 591 17.422 -1.597 -0.225 1.00 25.00 C ATOM 0 H TRP A 591 22.225 -4.745 3.515 1.00 25.00 H new ATOM 0 HA TRP A 591 19.942 -6.138 4.675 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.706 -4.186 4.131 1.00 25.00 H new ATOM 0 HB3 TRP A 591 20.257 -3.632 4.730 1.00 25.00 H new ATOM 0 HD1 TRP A 591 22.097 -2.986 2.559 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.575 -1.643 0.407 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.006 -3.504 2.560 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.269 -0.888 -1.030 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 15.709 -2.422 0.770 1.00 25.00 H new ATOM 0 HH2 TRP A 591 16.828 -1.134 -0.999 1.00 25.00 H new ATOM 103 N HIS A 592 20.556 -6.115 1.446 1.00 25.00 N ATOM 104 CA HIS A 592 20.215 -6.706 0.140 1.00 25.00 C ATOM 105 C HIS A 592 20.296 -8.247 0.176 1.00 25.00 C ATOM 106 O HIS A 592 19.504 -8.927 -0.482 1.00 25.00 O ATOM 107 CB HIS A 592 21.166 -6.135 -0.935 1.00 25.00 C ATOM 108 CG HIS A 592 21.381 -7.013 -2.142 1.00 25.00 C ATOM 109 ND1 HIS A 592 20.543 -6.998 -3.238 1.00 25.00 N ATOM 110 CD2 HIS A 592 22.357 -7.909 -2.432 1.00 25.00 C ATOM 111 CE1 HIS A 592 20.992 -7.847 -4.146 1.00 25.00 C ATOM 112 NE2 HIS A 592 22.090 -8.412 -3.681 1.00 25.00 N ATOM 0 H HIS A 592 21.412 -5.561 1.433 1.00 25.00 H new ATOM 0 HA HIS A 592 19.185 -6.445 -0.105 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.773 -5.175 -1.271 1.00 25.00 H new ATOM 0 HB3 HIS A 592 22.133 -5.939 -0.473 1.00 25.00 H new ATOM 0 HD1 HIS A 592 19.707 -6.421 -3.333 1.00 25.00 H new ATOM 0 HD2 HIS A 592 23.189 -8.177 -1.798 1.00 25.00 H new ATOM 0 HE1 HIS A 592 20.537 -8.045 -5.106 1.00 25.00 H new ATOM 121 N GLU A 593 21.255 -8.776 0.951 1.00 25.00 N ATOM 122 CA GLU A 593 21.430 -10.229 1.109 1.00 25.00 C ATOM 123 C GLU A 593 20.533 -10.788 2.222 1.00 25.00 C ATOM 124 O GLU A 593 20.272 -11.993 2.276 1.00 25.00 O ATOM 125 CB GLU A 593 22.896 -10.563 1.396 1.00 25.00 C ATOM 126 CG GLU A 593 23.839 -10.181 0.267 1.00 25.00 C ATOM 127 CD GLU A 593 25.280 -10.557 0.553 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.522 -11.272 1.549 1.00 25.00 O ATOM 129 OE2 GLU A 593 26.168 -10.138 -0.219 1.00 25.00 O ATOM 0 H GLU A 593 21.924 -8.217 1.480 1.00 25.00 H new ATOM 0 HA GLU A 593 21.134 -10.700 0.172 1.00 25.00 H new ATOM 0 HB2 GLU A 593 23.206 -10.049 2.306 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.986 -11.632 1.587 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.516 -10.671 -0.652 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.776 -9.107 0.095 1.00 25.00 H new ATOM 136 N HIS A 594 20.068 -9.891 3.102 1.00 25.00 N ATOM 137 CA HIS A 594 19.164 -10.243 4.203 1.00 25.00 C ATOM 138 C HIS A 594 17.690 -10.162 3.759 1.00 25.00 C ATOM 139 O HIS A 594 16.835 -10.856 4.321 1.00 25.00 O ATOM 140 CB HIS A 594 19.462 -9.308 5.402 1.00 25.00 C ATOM 141 CG HIS A 594 20.364 -9.866 6.471 1.00 25.00 C ATOM 142 ND1 HIS A 594 21.736 -9.740 6.456 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.058 -10.541 7.603 1.00 25.00 C ATOM 144 CE1 HIS A 594 22.239 -10.316 7.537 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.239 -10.809 8.248 1.00 25.00 N ATOM 0 H HIS A 594 20.309 -8.900 3.070 1.00 25.00 H new ATOM 0 HA HIS A 594 19.334 -11.276 4.508 1.00 25.00 H new ATOM 0 HB2 HIS A 594 19.911 -8.392 5.019 1.00 25.00 H new ATOM 0 HB3 HIS A 594 18.515 -9.030 5.864 1.00 25.00 H new ATOM 0 HD1 HIS A 594 22.279 -9.276 5.727 1.00 25.00 H new ATOM 0 HD2 HIS A 594 19.069 -10.817 7.937 1.00 25.00 H new ATOM 0 HE1 HIS A 594 23.286 -10.373 7.794 1.00 25.00 H new ATOM 154 N VAL A 595 17.407 -9.322 2.754 1.00 25.00 N ATOM 155 CA VAL A 595 16.047 -9.172 2.226 1.00 25.00 C ATOM 156 C VAL A 595 15.786 -10.245 1.154 1.00 25.00 C ATOM 157 O VAL A 595 16.609 -10.449 0.257 1.00 25.00 O ATOM 158 CB VAL A 595 15.801 -7.728 1.658 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.546 -7.634 0.779 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.680 -6.723 2.796 1.00 25.00 C ATOM 0 H VAL A 595 18.103 -8.737 2.291 1.00 25.00 H new ATOM 0 HA VAL A 595 15.342 -9.312 3.045 1.00 25.00 H new ATOM 0 HB VAL A 595 16.664 -7.497 1.033 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.431 -6.612 0.417 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.645 -8.311 -0.070 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.670 -7.912 1.365 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.510 -5.728 2.386 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.843 -6.999 3.438 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.600 -6.722 3.380 1.00 25.00 H new ATOM 170 N THR A 596 14.637 -10.915 1.268 1.00 25.00 N ATOM 171 CA THR A 596 14.279 -12.008 0.359 1.00 25.00 C ATOM 172 C THR A 596 13.156 -11.614 -0.598 1.00 25.00 C ATOM 173 O THR A 596 12.701 -10.466 -0.607 1.00 25.00 O ATOM 174 CB THR A 596 13.824 -13.272 1.121 1.00 25.00 C ATOM 175 OG1 THR A 596 12.600 -13.017 1.827 1.00 25.00 O ATOM 176 CG2 THR A 596 14.875 -13.760 2.098 1.00 25.00 C ATOM 0 H THR A 596 13.936 -10.719 1.983 1.00 25.00 H new ATOM 0 HA THR A 596 15.188 -12.222 -0.204 1.00 25.00 H new ATOM 0 HB THR A 596 13.667 -14.053 0.377 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.564 -13.576 2.631 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.510 -14.650 2.610 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.790 -14.002 1.557 1.00 25.00 H new ATOM 0 HG23 THR A 596 15.082 -12.979 2.830 1.00 25.00 H new ATOM 184 N GLN A 597 12.723 -12.593 -1.405 1.00 25.00 N ATOM 185 CA GLN A 597 11.537 -12.454 -2.251 1.00 25.00 C ATOM 186 C GLN A 597 10.267 -12.667 -1.419 1.00 25.00 C ATOM 187 O GLN A 597 9.167 -12.288 -1.830 1.00 25.00 O ATOM 188 CB GLN A 597 11.574 -13.447 -3.426 1.00 25.00 C ATOM 189 CG GLN A 597 12.564 -13.067 -4.522 1.00 25.00 C ATOM 190 CD GLN A 597 12.667 -14.086 -5.641 1.00 25.00 C ATOM 191 OE1 GLN A 597 13.511 -13.978 -6.533 1.00 25.00 O ATOM 192 NE2 GLN A 597 11.798 -15.091 -5.584 1.00 25.00 N ATOM 0 H GLN A 597 13.185 -13.499 -1.487 1.00 25.00 H new ATOM 0 HA GLN A 597 11.530 -11.444 -2.661 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.829 -14.436 -3.046 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.577 -13.520 -3.860 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.271 -12.106 -4.945 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.549 -12.931 -4.076 1.00 25.00 H new ATOM 0 HE21 GLN A 597 11.118 -15.135 -4.825 1.00 25.00 H new ATOM 0 HE22 GLN A 597 11.811 -15.818 -6.300 1.00 25.00 H new ATOM 201 N ASP A 598 10.443 -13.293 -0.239 1.00 25.00 N ATOM 202 CA ASP A 598 9.343 -13.558 0.688 1.00 25.00 C ATOM 203 C ASP A 598 9.028 -12.334 1.554 1.00 25.00 C ATOM 204 O ASP A 598 7.892 -12.182 2.015 1.00 25.00 O ATOM 205 CB ASP A 598 9.677 -14.762 1.574 1.00 25.00 C ATOM 206 CG ASP A 598 9.676 -16.074 0.810 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.067 -16.127 -0.279 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.288 -17.048 1.300 1.00 25.00 O ATOM 0 H ASP A 598 11.350 -13.625 0.090 1.00 25.00 H new ATOM 0 HA ASP A 598 8.456 -13.783 0.096 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.656 -14.612 2.028 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.954 -14.820 2.388 1.00 25.00 H new ATOM 213 N LEU A 599 10.035 -11.460 1.780 1.00 25.00 N ATOM 214 CA LEU A 599 9.803 -10.176 2.462 1.00 25.00 C ATOM 215 C LEU A 599 8.911 -9.256 1.624 1.00 25.00 C ATOM 216 O LEU A 599 7.899 -8.766 2.117 1.00 25.00 O ATOM 217 CB LEU A 599 11.126 -9.442 2.792 1.00 25.00 C ATOM 218 CG LEU A 599 11.037 -8.142 3.622 1.00 25.00 C ATOM 219 CD1 LEU A 599 10.425 -8.454 4.971 1.00 25.00 C ATOM 220 CD2 LEU A 599 12.395 -7.490 3.858 1.00 25.00 C ATOM 0 H LEU A 599 11.003 -11.621 1.502 1.00 25.00 H new ATOM 0 HA LEU A 599 9.299 -10.414 3.399 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.772 -10.138 3.327 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.623 -9.206 1.851 1.00 25.00 H new ATOM 0 HG LEU A 599 10.425 -7.445 3.050 1.00 25.00 H new ATOM 0 HD11 LEU A 599 10.360 -7.540 5.561 1.00 25.00 H new ATOM 0 HD12 LEU A 599 9.426 -8.867 4.831 1.00 25.00 H new ATOM 0 HD13 LEU A 599 11.048 -9.180 5.494 1.00 25.00 H new ATOM 0 HD21 LEU A 599 12.265 -6.582 4.447 1.00 25.00 H new ATOM 0 HD22 LEU A 599 13.042 -8.182 4.397 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.850 -7.239 2.900 1.00 25.00 H new ATOM 232 N ARG A 600 9.266 -9.073 0.340 1.00 25.00 N ATOM 233 CA ARG A 600 8.558 -8.135 -0.553 1.00 25.00 C ATOM 234 C ARG A 600 7.052 -8.453 -0.680 1.00 25.00 C ATOM 235 O ARG A 600 6.253 -7.572 -1.004 1.00 25.00 O ATOM 236 CB ARG A 600 9.235 -8.095 -1.946 1.00 25.00 C ATOM 237 CG ARG A 600 10.683 -7.599 -1.962 1.00 25.00 C ATOM 238 CD ARG A 600 11.337 -7.787 -3.329 1.00 25.00 C ATOM 239 NE ARG A 600 10.743 -6.922 -4.363 1.00 25.00 N ATOM 240 CZ ARG A 600 11.252 -6.736 -5.591 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.383 -7.328 -5.969 1.00 25.00 N ATOM 242 NH2 ARG A 600 10.620 -5.943 -6.447 1.00 25.00 N ATOM 0 H ARG A 600 10.042 -9.564 -0.105 1.00 25.00 H new ATOM 0 HA ARG A 600 8.629 -7.147 -0.097 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.208 -9.098 -2.372 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.643 -7.455 -2.600 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.708 -6.544 -1.690 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.258 -8.136 -1.208 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.403 -7.574 -3.250 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.242 -8.829 -3.633 1.00 25.00 H new ATOM 0 HE ARG A 600 9.882 -6.428 -4.129 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.881 -7.937 -5.320 1.00 25.00 H new ATOM 0 HH12 ARG A 600 12.751 -7.172 -6.907 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.754 -5.480 -6.170 1.00 25.00 H new ATOM 0 HH22 ARG A 600 11.000 -5.796 -7.382 1.00 25.00 H new ATOM 256 N SER A 601 6.686 -9.716 -0.414 1.00 25.00 N ATOM 257 CA SER A 601 5.286 -10.155 -0.436 1.00 25.00 C ATOM 258 C SER A 601 4.586 -9.862 0.903 1.00 25.00 C ATOM 259 O SER A 601 3.384 -9.586 0.930 1.00 25.00 O ATOM 260 CB SER A 601 5.215 -11.657 -0.747 1.00 25.00 C ATOM 261 OG SER A 601 5.849 -12.425 0.263 1.00 25.00 O ATOM 0 H SER A 601 7.348 -10.456 -0.179 1.00 25.00 H new ATOM 0 HA SER A 601 4.768 -9.597 -1.216 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.173 -11.962 -0.838 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.690 -11.854 -1.708 1.00 25.00 H new ATOM 0 HG SER A 601 6.475 -11.858 0.761 1.00 25.00 H new ATOM 267 N HIS A 602 5.353 -9.930 2.008 1.00 25.00 N ATOM 268 CA HIS A 602 4.839 -9.639 3.358 1.00 25.00 C ATOM 269 C HIS A 602 4.764 -8.120 3.597 1.00 25.00 C ATOM 270 O HIS A 602 3.998 -7.649 4.441 1.00 25.00 O ATOM 271 CB HIS A 602 5.740 -10.310 4.411 1.00 25.00 C ATOM 272 CG HIS A 602 5.673 -11.811 4.426 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.597 -12.601 5.079 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.782 -12.665 3.865 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.279 -13.873 4.918 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.181 -13.937 4.187 1.00 25.00 N ATOM 0 H HIS A 602 6.340 -10.187 1.990 1.00 25.00 H new ATOM 0 HA HIS A 602 3.830 -10.042 3.446 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.772 -10.007 4.233 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.464 -9.937 5.397 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.919 -12.394 3.275 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.824 -14.716 5.316 1.00 25.00 H new ATOM 0 HE2 HIS A 602 4.706 -14.795 3.907 1.00 25.00 H new ATOM 285 N LEU A 603 5.576 -7.380 2.834 1.00 25.00 N ATOM 286 CA LEU A 603 5.572 -5.909 2.818 1.00 25.00 C ATOM 287 C LEU A 603 4.328 -5.386 2.086 1.00 25.00 C ATOM 288 O LEU A 603 3.791 -4.327 2.419 1.00 25.00 O ATOM 289 CB LEU A 603 6.855 -5.427 2.097 1.00 25.00 C ATOM 290 CG LEU A 603 8.165 -5.228 2.933 1.00 25.00 C ATOM 291 CD1 LEU A 603 8.848 -3.920 2.616 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.960 -5.304 4.441 1.00 25.00 C ATOM 0 H LEU A 603 6.264 -7.789 2.202 1.00 25.00 H new ATOM 0 HA LEU A 603 5.549 -5.528 3.839 1.00 25.00 H new ATOM 0 HB2 LEU A 603 7.076 -6.142 1.304 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.625 -4.477 1.615 1.00 25.00 H new ATOM 0 HG LEU A 603 8.795 -6.066 2.634 1.00 25.00 H new ATOM 0 HD11 LEU A 603 9.751 -3.826 3.219 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.113 -3.895 1.559 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.174 -3.094 2.841 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.915 -5.156 4.946 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.261 -4.528 4.753 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.558 -6.282 4.705 1.00 25.00 H new ATOM 304 N VAL A 604 3.897 -6.163 1.084 1.00 25.00 N ATOM 305 CA VAL A 604 2.693 -5.896 0.300 1.00 25.00 C ATOM 306 C VAL A 604 1.442 -6.426 1.027 1.00 25.00 C ATOM 307 O VAL A 604 0.371 -5.822 0.943 1.00 25.00 O ATOM 308 CB VAL A 604 2.869 -6.533 -1.112 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.574 -6.607 -1.912 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.909 -5.749 -1.893 1.00 25.00 C ATOM 0 H VAL A 604 4.387 -7.009 0.793 1.00 25.00 H new ATOM 0 HA VAL A 604 2.550 -4.822 0.182 1.00 25.00 H new ATOM 0 HB VAL A 604 3.195 -7.561 -0.955 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.772 -7.061 -2.883 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.846 -7.211 -1.371 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.177 -5.602 -2.055 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.033 -6.193 -2.881 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.581 -4.715 -1.999 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.860 -5.776 -1.361 1.00 25.00 H new ATOM 320 N HIS A 605 1.601 -7.553 1.741 1.00 25.00 N ATOM 321 CA HIS A 605 0.523 -8.134 2.555 1.00 25.00 C ATOM 322 C HIS A 605 0.274 -7.279 3.810 1.00 25.00 C ATOM 323 O HIS A 605 -0.770 -7.390 4.451 1.00 25.00 O ATOM 324 CB HIS A 605 0.871 -9.581 2.943 1.00 25.00 C ATOM 325 CG HIS A 605 -0.258 -10.342 3.584 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.347 -10.805 2.878 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.467 -10.706 4.875 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.177 -11.421 3.701 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.665 -11.375 4.918 1.00 25.00 N ATOM 0 H HIS A 605 2.473 -8.082 1.770 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.393 -8.145 1.964 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.193 -10.116 2.050 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.718 -9.567 3.628 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.187 -10.507 5.711 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.114 -11.883 3.426 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.091 -11.773 5.755 1.00 25.00 H new ATOM 338 N LYS A 606 1.260 -6.433 4.138 1.00 25.00 N ATOM 339 CA LYS A 606 1.161 -5.469 5.239 1.00 25.00 C ATOM 340 C LYS A 606 0.486 -4.184 4.734 1.00 25.00 C ATOM 341 O LYS A 606 -0.079 -3.407 5.509 1.00 25.00 O ATOM 342 CB LYS A 606 2.576 -5.175 5.763 1.00 25.00 C ATOM 343 CG LYS A 606 3.091 -6.129 6.839 1.00 25.00 C ATOM 344 CD LYS A 606 4.483 -5.739 7.295 1.00 25.00 C ATOM 345 CE LYS A 606 4.958 -6.633 8.432 1.00 25.00 C ATOM 346 NZ LYS A 606 6.355 -6.322 8.855 1.00 25.00 N ATOM 0 H LYS A 606 2.152 -6.399 3.644 1.00 25.00 H new ATOM 0 HA LYS A 606 0.558 -5.876 6.051 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.268 -5.197 4.921 1.00 25.00 H new ATOM 0 HB3 LYS A 606 2.593 -4.161 6.163 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.411 -6.122 7.691 1.00 25.00 H new ATOM 0 HG3 LYS A 606 3.105 -7.147 6.450 1.00 25.00 H new ATOM 0 HD2 LYS A 606 5.177 -5.811 6.457 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.484 -4.699 7.621 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.289 -6.518 9.285 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.900 -7.676 8.119 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.557 -6.793 9.760 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 7.021 -6.662 8.132 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.463 -5.294 8.968 1.00 25.00 H new ATOM 360 N LEU A 607 0.564 -4.001 3.414 1.00 25.00 N ATOM 361 CA LEU A 607 0.030 -2.836 2.719 1.00 25.00 C ATOM 362 C LEU A 607 -1.452 -3.026 2.373 1.00 25.00 C ATOM 363 O LEU A 607 -2.244 -2.090 2.475 1.00 25.00 O ATOM 364 CB LEU A 607 0.862 -2.627 1.454 1.00 25.00 C ATOM 365 CG LEU A 607 0.646 -1.299 0.709 1.00 25.00 C ATOM 366 CD1 LEU A 607 0.309 -0.208 1.700 1.00 25.00 C ATOM 367 CD2 LEU A 607 1.882 -0.886 -0.085 1.00 25.00 C ATOM 0 H LEU A 607 1.009 -4.674 2.790 1.00 25.00 H new ATOM 0 HA LEU A 607 0.092 -1.958 3.362 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.916 -2.702 1.721 1.00 25.00 H new ATOM 0 HB3 LEU A 607 0.649 -3.444 0.765 1.00 25.00 H new ATOM 0 HG LEU A 607 -0.176 -1.445 0.009 1.00 25.00 H new ATOM 0 HD11 LEU A 607 0.157 0.732 1.169 1.00 25.00 H new ATOM 0 HD12 LEU A 607 -0.602 -0.473 2.237 1.00 25.00 H new ATOM 0 HD13 LEU A 607 1.129 -0.095 2.409 1.00 25.00 H new ATOM 0 HD21 LEU A 607 1.688 0.057 -0.596 1.00 25.00 H new ATOM 0 HD22 LEU A 607 2.726 -0.764 0.594 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.116 -1.656 -0.820 1.00 25.00 H new ATOM 379 N VAL A 608 -1.811 -4.264 1.993 1.00 25.00 N ATOM 380 CA VAL A 608 -3.191 -4.634 1.621 1.00 25.00 C ATOM 381 C VAL A 608 -4.127 -4.638 2.856 1.00 25.00 C ATOM 382 O VAL A 608 -5.336 -4.448 2.713 1.00 25.00 O ATOM 383 CB VAL A 608 -3.206 -6.028 0.901 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.611 -6.614 0.784 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.582 -5.926 -0.492 1.00 25.00 C ATOM 0 H VAL A 608 -1.152 -5.040 1.934 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.568 -3.882 0.928 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.614 -6.700 1.523 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.562 -7.578 0.278 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.034 -6.748 1.780 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.242 -5.935 0.210 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.603 -6.904 -0.973 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.148 -5.214 -1.093 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.550 -5.587 -0.404 1.00 25.00 H new ATOM 395 N GLN A 609 -3.557 -4.841 4.056 1.00 25.00 N ATOM 396 CA GLN A 609 -4.328 -4.856 5.304 1.00 25.00 C ATOM 397 C GLN A 609 -4.625 -3.435 5.766 1.00 25.00 C ATOM 398 O GLN A 609 -5.698 -3.152 6.304 1.00 25.00 O ATOM 399 CB GLN A 609 -3.548 -5.593 6.398 1.00 25.00 C ATOM 400 CG GLN A 609 -3.471 -7.106 6.210 1.00 25.00 C ATOM 401 CD GLN A 609 -2.658 -7.847 7.278 1.00 25.00 C ATOM 402 OE1 GLN A 609 -2.577 -9.076 7.257 1.00 25.00 O ATOM 403 NE2 GLN A 609 -2.028 -7.111 8.194 1.00 25.00 N ATOM 0 H GLN A 609 -2.557 -4.998 4.185 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.269 -5.374 5.117 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.535 -5.192 6.437 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.012 -5.382 7.362 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -4.484 -7.509 6.200 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.036 -7.315 5.233 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -2.117 -6.095 8.181 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -1.457 -7.564 8.907 1.00 25.00 H new ATOM 412 N ALA A 610 -3.646 -2.552 5.544 1.00 25.00 N ATOM 413 CA ALA A 610 -3.781 -1.123 5.842 1.00 25.00 C ATOM 414 C ALA A 610 -4.766 -0.423 4.891 1.00 25.00 C ATOM 415 O ALA A 610 -5.310 0.634 5.223 1.00 25.00 O ATOM 416 CB ALA A 610 -2.416 -0.461 5.770 1.00 25.00 C ATOM 0 H ALA A 610 -2.739 -2.808 5.153 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.187 -1.026 6.849 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.515 0.602 5.991 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.749 -0.923 6.498 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -2.003 -0.586 4.769 1.00 25.00 H new ATOM 422 N ILE A 611 -4.991 -1.029 3.714 1.00 25.00 N ATOM 423 CA ILE A 611 -5.923 -0.486 2.719 1.00 25.00 C ATOM 424 C ILE A 611 -7.297 -1.176 2.843 1.00 25.00 C ATOM 425 O ILE A 611 -8.304 -0.504 3.085 1.00 25.00 O ATOM 426 CB ILE A 611 -5.342 -0.611 1.264 1.00 25.00 C ATOM 427 CG1 ILE A 611 -4.152 0.348 1.083 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.404 -0.292 0.209 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.283 0.073 -0.134 1.00 25.00 C ATOM 0 H ILE A 611 -4.538 -1.897 3.430 1.00 25.00 H new ATOM 0 HA ILE A 611 -6.058 0.577 2.917 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.014 -1.642 1.130 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.533 1.367 1.015 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.527 0.300 1.975 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.969 -0.388 -0.786 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.237 -0.988 0.309 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.763 0.727 0.351 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.473 0.801 -0.174 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.866 -0.931 -0.064 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.887 0.152 -1.038 1.00 25.00 H new ATOM 441 N PHE A 612 -7.330 -2.512 2.678 1.00 25.00 N ATOM 442 CA PHE A 612 -8.560 -3.285 2.834 1.00 25.00 C ATOM 443 C PHE A 612 -8.262 -4.674 3.452 1.00 25.00 C ATOM 444 O PHE A 612 -7.749 -5.557 2.752 1.00 25.00 O ATOM 445 CB PHE A 612 -9.253 -3.439 1.466 1.00 25.00 C ATOM 446 CG PHE A 612 -10.672 -3.924 1.544 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.699 -3.044 1.826 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.967 -5.261 1.353 1.00 25.00 C ATOM 449 CE1 PHE A 612 -13.005 -3.488 1.914 1.00 25.00 C ATOM 450 CE2 PHE A 612 -12.268 -5.713 1.436 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.290 -4.826 1.719 1.00 25.00 C ATOM 0 H PHE A 612 -6.513 -3.072 2.436 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.226 -2.752 3.513 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.238 -2.477 0.954 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.677 -4.134 0.856 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.479 -1.998 1.979 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -10.171 -5.959 1.137 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.800 -2.791 2.134 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.488 -6.759 1.280 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.309 -5.178 1.788 1.00 25.00 H new ATOM 461 N PRO A 613 -8.561 -4.901 4.775 1.00 25.00 N ATOM 462 CA PRO A 613 -8.423 -6.229 5.399 1.00 25.00 C ATOM 463 C PRO A 613 -9.599 -7.158 5.067 1.00 25.00 C ATOM 464 O PRO A 613 -10.762 -6.750 5.158 1.00 25.00 O ATOM 465 CB PRO A 613 -8.391 -5.935 6.913 1.00 25.00 C ATOM 466 CG PRO A 613 -9.145 -4.659 7.111 1.00 25.00 C ATOM 467 CD PRO A 613 -9.011 -3.909 5.772 1.00 25.00 C ATOM 0 HA PRO A 613 -7.534 -6.745 5.037 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.849 -6.748 7.476 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.365 -5.839 7.268 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.190 -4.851 7.354 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.729 -4.077 7.933 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.964 -3.469 5.478 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.295 -3.092 5.856 1.00 25.00 H new ATOM 475 N THR A 614 -9.285 -8.402 4.677 1.00 25.00 N ATOM 476 CA THR A 614 -10.314 -9.390 4.339 1.00 25.00 C ATOM 477 C THR A 614 -9.923 -10.814 4.787 1.00 25.00 C ATOM 478 O THR A 614 -8.858 -11.317 4.417 1.00 25.00 O ATOM 479 CB THR A 614 -10.694 -9.386 2.830 1.00 25.00 C ATOM 480 OG1 THR A 614 -10.937 -8.047 2.376 1.00 25.00 O ATOM 481 CG2 THR A 614 -11.913 -10.251 2.538 1.00 25.00 C ATOM 0 H THR A 614 -8.328 -8.745 4.589 1.00 25.00 H new ATOM 0 HA THR A 614 -11.199 -9.084 4.897 1.00 25.00 H new ATOM 0 HB THR A 614 -9.847 -9.810 2.291 1.00 25.00 H new ATOM 0 HG1 THR A 614 -11.804 -7.739 2.714 1.00 25.00 H new ATOM 0 HG21 THR A 614 -12.138 -10.215 1.472 1.00 25.00 H new ATOM 0 HG22 THR A 614 -11.707 -11.281 2.831 1.00 25.00 H new ATOM 0 HG23 THR A 614 -12.768 -9.877 3.102 1.00 25.00 H new ATOM 489 N PRO A 615 -10.797 -11.470 5.615 1.00 25.00 N ATOM 490 CA PRO A 615 -10.668 -12.899 6.001 1.00 25.00 C ATOM 491 C PRO A 615 -10.482 -13.859 4.817 1.00 25.00 C ATOM 492 O PRO A 615 -9.549 -14.665 4.798 1.00 25.00 O ATOM 493 CB PRO A 615 -12.012 -13.188 6.663 1.00 25.00 C ATOM 494 CG PRO A 615 -12.427 -11.893 7.255 1.00 25.00 C ATOM 495 CD PRO A 615 -11.964 -10.842 6.291 1.00 25.00 C ATOM 0 HA PRO A 615 -9.786 -13.052 6.623 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -12.743 -13.543 5.937 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -11.919 -13.961 7.426 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -13.508 -11.852 7.390 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -11.977 -11.749 8.237 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.746 -10.580 5.578 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.682 -9.924 6.806 1.00 25.00 H new ATOM 503 N ASP A 616 -11.396 -13.758 3.848 1.00 25.00 N ATOM 504 CA ASP A 616 -11.440 -14.656 2.685 1.00 25.00 C ATOM 505 C ASP A 616 -10.433 -14.253 1.592 1.00 25.00 C ATOM 506 O ASP A 616 -10.473 -13.120 1.103 1.00 25.00 O ATOM 507 CB ASP A 616 -12.858 -14.690 2.094 1.00 25.00 C ATOM 508 CG ASP A 616 -13.066 -15.842 1.124 1.00 25.00 C ATOM 509 OD1 ASP A 616 -12.075 -16.530 0.797 1.00 25.00 O ATOM 510 OD2 ASP A 616 -14.220 -16.056 0.696 1.00 25.00 O ATOM 0 H ASP A 616 -12.130 -13.050 3.846 1.00 25.00 H new ATOM 0 HA ASP A 616 -11.161 -15.649 3.039 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -13.582 -14.769 2.905 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.055 -13.749 1.581 1.00 25.00 H new ATOM 515 N PRO A 617 -9.494 -15.180 1.198 1.00 25.00 N ATOM 516 CA PRO A 617 -8.575 -14.965 0.049 1.00 25.00 C ATOM 517 C PRO A 617 -9.292 -14.851 -1.314 1.00 25.00 C ATOM 518 O PRO A 617 -8.670 -14.480 -2.316 1.00 25.00 O ATOM 519 CB PRO A 617 -7.683 -16.218 0.065 1.00 25.00 C ATOM 520 CG PRO A 617 -7.769 -16.734 1.460 1.00 25.00 C ATOM 521 CD PRO A 617 -9.203 -16.481 1.868 1.00 25.00 C ATOM 0 HA PRO A 617 -8.040 -14.021 0.155 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -8.032 -16.960 -0.653 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -6.655 -15.974 -0.203 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -7.524 -17.795 1.507 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -7.071 -16.217 2.119 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -9.870 -17.273 1.527 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -9.313 -16.416 2.950 1.00 25.00 H new ATOM 529 N ALA A 618 -10.599 -15.170 -1.335 1.00 25.00 N ATOM 530 CA ALA A 618 -11.407 -15.147 -2.565 1.00 25.00 C ATOM 531 C ALA A 618 -11.689 -13.719 -3.053 1.00 25.00 C ATOM 532 O ALA A 618 -11.855 -13.491 -4.255 1.00 25.00 O ATOM 533 CB ALA A 618 -12.716 -15.894 -2.340 1.00 25.00 C ATOM 0 H ALA A 618 -11.121 -15.449 -0.504 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.829 -15.644 -3.344 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -13.309 -15.873 -3.254 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.503 -16.928 -2.070 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.274 -15.416 -1.535 1.00 25.00 H new ATOM 539 N ALA A 619 -11.738 -12.768 -2.110 1.00 25.00 N ATOM 540 CA ALA A 619 -11.925 -11.347 -2.430 1.00 25.00 C ATOM 541 C ALA A 619 -10.592 -10.663 -2.740 1.00 25.00 C ATOM 542 O ALA A 619 -10.561 -9.564 -3.304 1.00 25.00 O ATOM 543 CB ALA A 619 -12.606 -10.633 -1.273 1.00 25.00 C ATOM 0 H ALA A 619 -11.650 -12.960 -1.112 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.555 -11.289 -3.318 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.739 -9.580 -1.523 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -13.579 -11.088 -1.087 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.989 -10.719 -0.379 1.00 25.00 H new ATOM 549 N LEU A 620 -9.495 -11.336 -2.371 1.00 25.00 N ATOM 550 CA LEU A 620 -8.152 -10.799 -2.517 1.00 25.00 C ATOM 551 C LEU A 620 -7.542 -11.203 -3.875 1.00 25.00 C ATOM 552 O LEU A 620 -6.629 -10.536 -4.373 1.00 25.00 O ATOM 553 CB LEU A 620 -7.312 -11.292 -1.299 1.00 25.00 C ATOM 554 CG LEU A 620 -7.679 -10.823 0.135 1.00 25.00 C ATOM 555 CD1 LEU A 620 -6.722 -11.420 1.155 1.00 25.00 C ATOM 556 CD2 LEU A 620 -7.720 -9.299 0.257 1.00 25.00 C ATOM 0 H LEU A 620 -9.522 -12.270 -1.963 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.164 -9.709 -2.518 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -7.344 -12.382 -1.302 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -6.277 -11.003 -1.480 1.00 25.00 H new ATOM 0 HG LEU A 620 -8.686 -11.185 0.343 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -6.996 -11.079 2.154 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -6.779 -12.508 1.114 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -5.704 -11.101 0.929 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -7.981 -9.023 1.279 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -6.742 -8.888 0.009 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -8.467 -8.899 -0.429 1.00 25.00 H new ATOM 568 N LYS A 621 -8.069 -12.282 -4.468 1.00 25.00 N ATOM 569 CA LYS A 621 -7.571 -12.803 -5.746 1.00 25.00 C ATOM 570 C LYS A 621 -8.529 -12.441 -6.899 1.00 25.00 C ATOM 571 O LYS A 621 -8.430 -12.989 -8.003 1.00 25.00 O ATOM 572 CB LYS A 621 -7.393 -14.325 -5.647 1.00 25.00 C ATOM 573 CG LYS A 621 -6.285 -14.760 -4.683 1.00 25.00 C ATOM 574 CD LYS A 621 -6.097 -16.284 -4.618 1.00 25.00 C ATOM 575 CE LYS A 621 -4.948 -16.695 -3.705 1.00 25.00 C ATOM 576 NZ LYS A 621 -3.653 -16.065 -4.092 1.00 25.00 N ATOM 0 H LYS A 621 -8.847 -12.814 -4.078 1.00 25.00 H new ATOM 0 HA LYS A 621 -6.606 -12.344 -5.961 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -8.335 -14.771 -5.327 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -7.174 -14.720 -6.639 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -5.346 -14.298 -4.988 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -6.514 -14.387 -3.685 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -7.019 -16.745 -4.265 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -5.913 -16.667 -5.622 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -5.189 -16.420 -2.678 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -4.841 -17.780 -3.728 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -2.874 -16.537 -3.591 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -3.513 -16.161 -5.118 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -3.668 -15.057 -3.838 1.00 25.00 H new ATOM 590 N ASP A 622 -9.438 -11.492 -6.632 1.00 25.00 N ATOM 591 CA ASP A 622 -10.484 -11.106 -7.584 1.00 25.00 C ATOM 592 C ASP A 622 -9.968 -10.073 -8.606 1.00 25.00 C ATOM 593 O ASP A 622 -8.887 -9.502 -8.425 1.00 25.00 O ATOM 594 CB ASP A 622 -11.697 -10.561 -6.809 1.00 25.00 C ATOM 595 CG ASP A 622 -13.002 -10.653 -7.587 1.00 25.00 C ATOM 596 OD1 ASP A 622 -12.958 -11.014 -8.782 1.00 25.00 O ATOM 597 OD2 ASP A 622 -14.066 -10.361 -6.999 1.00 25.00 O ATOM 0 H ASP A 622 -9.467 -10.974 -5.754 1.00 25.00 H new ATOM 0 HA ASP A 622 -10.785 -11.987 -8.151 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.800 -11.113 -5.875 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.512 -9.520 -6.545 1.00 25.00 H new ATOM 602 N ARG A 623 -10.749 -9.846 -9.675 1.00 25.00 N ATOM 603 CA ARG A 623 -10.374 -8.932 -10.770 1.00 25.00 C ATOM 604 C ARG A 623 -10.196 -7.475 -10.280 1.00 25.00 C ATOM 605 O ARG A 623 -9.136 -6.872 -10.481 1.00 25.00 O ATOM 606 CB ARG A 623 -11.452 -9.018 -11.879 1.00 25.00 C ATOM 607 CG ARG A 623 -11.430 -10.288 -12.739 1.00 25.00 C ATOM 608 CD ARG A 623 -12.320 -10.180 -13.975 1.00 25.00 C ATOM 609 NE ARG A 623 -13.750 -10.271 -13.652 1.00 25.00 N ATOM 610 CZ ARG A 623 -14.431 -11.418 -13.510 1.00 25.00 C ATOM 611 NH1 ARG A 623 -13.834 -12.601 -13.656 1.00 25.00 N ATOM 612 NH2 ARG A 623 -15.723 -11.378 -13.219 1.00 25.00 N ATOM 0 H ARG A 623 -11.658 -10.290 -9.806 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.407 -9.240 -11.167 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.433 -8.936 -11.412 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -11.339 -8.156 -12.536 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -10.406 -10.493 -13.051 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -11.755 -11.136 -12.136 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -12.124 -9.232 -14.477 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -12.059 -10.972 -14.676 1.00 25.00 H new ATOM 0 HE ARG A 623 -14.263 -9.398 -13.526 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -12.840 -12.646 -13.880 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -14.371 -13.461 -13.544 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -16.192 -10.480 -13.105 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -16.248 -12.246 -13.109 1.00 25.00 H new ATOM 626 N ARG A 624 -11.237 -6.939 -9.625 1.00 25.00 N ATOM 627 CA ARG A 624 -11.272 -5.535 -9.171 1.00 25.00 C ATOM 628 C ARG A 624 -10.236 -5.241 -8.067 1.00 25.00 C ATOM 629 O ARG A 624 -9.872 -4.081 -7.850 1.00 25.00 O ATOM 630 CB ARG A 624 -12.682 -5.204 -8.662 1.00 25.00 C ATOM 631 CG ARG A 624 -13.446 -4.197 -9.518 1.00 25.00 C ATOM 632 CD ARG A 624 -13.185 -2.763 -9.065 1.00 25.00 C ATOM 633 NE ARG A 624 -13.807 -1.773 -9.958 1.00 25.00 N ATOM 634 CZ ARG A 624 -13.588 -0.449 -9.910 1.00 25.00 C ATOM 635 NH1 ARG A 624 -12.768 0.082 -9.004 1.00 25.00 N ATOM 636 NH2 ARG A 624 -14.200 0.345 -10.775 1.00 25.00 N ATOM 0 H ARG A 624 -12.080 -7.465 -9.394 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.015 -4.907 -10.024 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.260 -6.126 -8.607 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.606 -4.814 -7.647 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.152 -4.309 -10.562 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.514 -4.408 -9.463 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -13.569 -2.628 -8.054 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -12.110 -2.587 -9.024 1.00 25.00 H new ATOM 0 HE ARG A 624 -14.454 -2.118 -10.667 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -12.294 -0.520 -8.331 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -12.615 1.090 -8.984 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -14.832 -0.050 -11.471 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -14.039 1.352 -10.745 1.00 25.00 H new ATOM 650 N MET A 625 -9.767 -6.295 -7.384 1.00 25.00 N ATOM 651 CA MET A 625 -8.824 -6.146 -6.271 1.00 25.00 C ATOM 652 C MET A 625 -7.372 -6.163 -6.761 1.00 25.00 C ATOM 653 O MET A 625 -6.538 -5.401 -6.262 1.00 25.00 O ATOM 654 CB MET A 625 -9.035 -7.271 -5.254 1.00 25.00 C ATOM 655 CG MET A 625 -8.126 -7.178 -4.033 1.00 25.00 C ATOM 656 SD MET A 625 -8.477 -5.767 -2.976 1.00 25.00 S ATOM 657 CE MET A 625 -9.582 -6.522 -1.791 1.00 25.00 C ATOM 0 H MET A 625 -10.027 -7.261 -7.585 1.00 25.00 H new ATOM 0 HA MET A 625 -9.014 -5.182 -5.799 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.074 -7.259 -4.923 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.869 -8.229 -5.747 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.224 -8.092 -3.448 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.090 -7.122 -4.366 1.00 25.00 H new ATOM 0 HE1 MET A 625 -10.296 -5.779 -1.435 1.00 25.00 H new ATOM 0 HE2 MET A 625 -10.119 -7.343 -2.266 1.00 25.00 H new ATOM 0 HE3 MET A 625 -9.006 -6.904 -0.948 1.00 25.00 H new ATOM 667 N GLU A 626 -7.085 -7.039 -7.739 1.00 25.00 N ATOM 668 CA GLU A 626 -5.729 -7.216 -8.296 1.00 25.00 C ATOM 669 C GLU A 626 -5.106 -5.888 -8.795 1.00 25.00 C ATOM 670 O GLU A 626 -3.882 -5.791 -8.926 1.00 25.00 O ATOM 671 CB GLU A 626 -5.759 -8.257 -9.428 1.00 25.00 C ATOM 672 CG GLU A 626 -5.663 -9.705 -8.946 1.00 25.00 C ATOM 673 CD GLU A 626 -4.249 -10.109 -8.571 1.00 25.00 C ATOM 674 OE1 GLU A 626 -3.353 -10.002 -9.436 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.036 -10.527 -7.414 1.00 25.00 O ATOM 0 H GLU A 626 -7.785 -7.645 -8.167 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.092 -7.573 -7.487 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.681 -8.135 -9.996 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -4.935 -8.058 -10.113 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -6.315 -9.840 -8.083 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -6.030 -10.369 -9.729 1.00 25.00 H new ATOM 682 N ASN A 627 -5.953 -4.878 -9.063 1.00 25.00 N ATOM 683 CA ASN A 627 -5.488 -3.548 -9.502 1.00 25.00 C ATOM 684 C ASN A 627 -4.744 -2.809 -8.379 1.00 25.00 C ATOM 685 O ASN A 627 -3.766 -2.104 -8.643 1.00 25.00 O ATOM 686 CB ASN A 627 -6.662 -2.683 -9.989 1.00 25.00 C ATOM 687 CG ASN A 627 -7.242 -3.156 -11.311 1.00 25.00 C ATOM 688 OD1 ASN A 627 -6.582 -3.864 -12.073 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.482 -2.767 -11.587 1.00 25.00 N ATOM 0 H ASN A 627 -6.967 -4.957 -8.983 1.00 25.00 H new ATOM 0 HA ASN A 627 -4.797 -3.713 -10.329 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.447 -2.687 -9.233 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.326 -1.651 -10.095 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -8.924 -3.055 -12.460 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -8.992 -2.180 -10.926 1.00 25.00 H new ATOM 696 N LEU A 628 -5.216 -2.980 -7.131 1.00 25.00 N ATOM 697 CA LEU A 628 -4.591 -2.338 -5.970 1.00 25.00 C ATOM 698 C LEU A 628 -3.447 -3.206 -5.413 1.00 25.00 C ATOM 699 O LEU A 628 -2.453 -2.679 -4.909 1.00 25.00 O ATOM 700 CB LEU A 628 -5.667 -1.937 -4.906 1.00 25.00 C ATOM 701 CG LEU A 628 -6.497 -0.637 -5.088 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.309 -0.284 -3.848 1.00 25.00 C ATOM 703 CD2 LEU A 628 -5.569 0.517 -5.400 1.00 25.00 C ATOM 0 H LEU A 628 -6.026 -3.557 -6.905 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.126 -1.403 -6.283 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.373 -2.764 -4.833 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -5.160 -1.865 -3.944 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.193 -0.815 -5.908 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -7.870 0.633 -4.029 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -8.002 -1.095 -3.624 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.637 -0.137 -3.003 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.152 1.429 -5.528 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -4.864 0.649 -4.579 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.021 0.305 -6.318 1.00 25.00 H new ATOM 715 N VAL A 629 -3.604 -4.539 -5.505 1.00 25.00 N ATOM 716 CA VAL A 629 -2.526 -5.497 -5.171 1.00 25.00 C ATOM 717 C VAL A 629 -1.270 -5.192 -6.012 1.00 25.00 C ATOM 718 O VAL A 629 -0.141 -5.304 -5.529 1.00 25.00 O ATOM 719 CB VAL A 629 -2.998 -6.966 -5.428 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.873 -7.992 -5.241 1.00 25.00 C ATOM 721 CG2 VAL A 629 -4.185 -7.318 -4.530 1.00 25.00 C ATOM 0 H VAL A 629 -4.471 -4.982 -5.809 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.282 -5.391 -4.114 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.308 -7.014 -6.472 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.258 -8.993 -5.432 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.064 -7.775 -5.938 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.497 -7.937 -4.220 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.497 -8.344 -4.725 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.892 -7.220 -3.485 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -5.013 -6.641 -4.739 1.00 25.00 H new ATOM 731 N ALA A 630 -1.512 -4.802 -7.265 1.00 25.00 N ATOM 732 CA ALA A 630 -0.461 -4.412 -8.197 1.00 25.00 C ATOM 733 C ALA A 630 -0.007 -2.966 -7.954 1.00 25.00 C ATOM 734 O ALA A 630 1.077 -2.562 -8.385 1.00 25.00 O ATOM 735 CB ALA A 630 -0.969 -4.598 -9.614 1.00 25.00 C ATOM 0 H ALA A 630 -2.451 -4.749 -7.661 1.00 25.00 H new ATOM 0 HA ALA A 630 0.412 -5.046 -8.040 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.191 -4.309 -10.320 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.232 -5.644 -9.772 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -1.850 -3.975 -9.770 1.00 25.00 H new ATOM 741 N TYR A 631 -0.860 -2.203 -7.254 1.00 25.00 N ATOM 742 CA TYR A 631 -0.558 -0.829 -6.833 1.00 25.00 C ATOM 743 C TYR A 631 0.427 -0.829 -5.652 1.00 25.00 C ATOM 744 O TYR A 631 1.286 0.051 -5.552 1.00 25.00 O ATOM 745 CB TYR A 631 -1.881 -0.126 -6.455 1.00 25.00 C ATOM 746 CG TYR A 631 -1.806 1.340 -6.041 1.00 25.00 C ATOM 747 CD1 TYR A 631 -1.226 2.269 -6.901 1.00 25.00 C ATOM 748 CD2 TYR A 631 -2.294 1.794 -4.815 1.00 25.00 C ATOM 749 CE1 TYR A 631 -1.135 3.604 -6.555 1.00 25.00 C ATOM 750 CE2 TYR A 631 -2.213 3.125 -4.464 1.00 25.00 C ATOM 751 CZ TYR A 631 -1.645 4.031 -5.346 1.00 25.00 C ATOM 752 OH TYR A 631 -1.460 5.385 -5.140 1.00 25.00 O ATOM 0 H TYR A 631 -1.783 -2.525 -6.963 1.00 25.00 H new ATOM 0 HA TYR A 631 -0.083 -0.287 -7.651 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.557 -0.201 -7.307 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.336 -0.684 -5.637 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -0.841 1.941 -7.855 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -2.743 1.091 -4.129 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -0.668 4.309 -7.227 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -2.589 3.459 -3.509 1.00 25.00 H new ATOM 0 HH TYR A 631 -1.838 5.639 -4.272 1.00 25.00 H new ATOM 762 N ALA A 632 0.282 -1.825 -4.767 1.00 25.00 N ATOM 763 CA ALA A 632 1.199 -2.012 -3.639 1.00 25.00 C ATOM 764 C ALA A 632 2.438 -2.805 -4.063 1.00 25.00 C ATOM 765 O ALA A 632 3.529 -2.604 -3.522 1.00 25.00 O ATOM 766 CB ALA A 632 0.497 -2.702 -2.488 1.00 25.00 C ATOM 0 H ALA A 632 -0.467 -2.516 -4.813 1.00 25.00 H new ATOM 0 HA ALA A 632 1.525 -1.027 -3.305 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.195 -2.831 -1.661 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.346 -2.095 -2.159 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.136 -3.678 -2.814 1.00 25.00 H new ATOM 772 N LYS A 633 2.248 -3.711 -5.040 1.00 25.00 N ATOM 773 CA LYS A 633 3.350 -4.437 -5.691 1.00 25.00 C ATOM 774 C LYS A 633 4.248 -3.458 -6.472 1.00 25.00 C ATOM 775 O LYS A 633 5.400 -3.764 -6.797 1.00 25.00 O ATOM 776 CB LYS A 633 2.758 -5.487 -6.646 1.00 25.00 C ATOM 777 CG LYS A 633 2.289 -6.787 -5.991 1.00 25.00 C ATOM 778 CD LYS A 633 1.477 -7.651 -6.945 1.00 25.00 C ATOM 779 CE LYS A 633 1.463 -9.108 -6.513 1.00 25.00 C ATOM 780 NZ LYS A 633 0.462 -9.905 -7.279 1.00 25.00 N ATOM 0 H LYS A 633 1.326 -3.959 -5.399 1.00 25.00 H new ATOM 0 HA LYS A 633 3.959 -4.930 -4.933 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.913 -5.040 -7.170 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.507 -5.730 -7.399 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.155 -7.349 -5.642 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.687 -6.553 -5.113 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.455 -7.276 -6.994 1.00 25.00 H new ATOM 0 HD3 LYS A 633 1.893 -7.574 -7.949 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.455 -9.538 -6.654 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.238 -9.169 -5.448 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.483 -10.893 -6.955 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.488 -9.510 -7.124 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 0.691 -9.868 -8.293 1.00 25.00 H new ATOM 794 N LYS A 634 3.677 -2.276 -6.755 1.00 25.00 N ATOM 795 CA LYS A 634 4.361 -1.168 -7.424 1.00 25.00 C ATOM 796 C LYS A 634 5.315 -0.445 -6.462 1.00 25.00 C ATOM 797 O LYS A 634 6.504 -0.293 -6.748 1.00 25.00 O ATOM 798 CB LYS A 634 3.303 -0.185 -7.944 1.00 25.00 C ATOM 799 CG LYS A 634 3.853 1.018 -8.715 1.00 25.00 C ATOM 800 CD LYS A 634 2.781 2.010 -9.185 1.00 25.00 C ATOM 801 CE LYS A 634 3.348 3.073 -10.122 1.00 25.00 C ATOM 802 NZ LYS A 634 4.235 4.026 -9.402 1.00 25.00 N ATOM 0 H LYS A 634 2.708 -2.064 -6.519 1.00 25.00 H new ATOM 0 HA LYS A 634 4.954 -1.561 -8.250 1.00 25.00 H new ATOM 0 HB2 LYS A 634 2.614 -0.727 -8.592 1.00 25.00 H new ATOM 0 HB3 LYS A 634 2.723 0.181 -7.097 1.00 25.00 H new ATOM 0 HG2 LYS A 634 4.567 1.545 -8.082 1.00 25.00 H new ATOM 0 HG3 LYS A 634 4.403 0.657 -9.584 1.00 25.00 H new ATOM 0 HD2 LYS A 634 1.985 1.467 -9.694 1.00 25.00 H new ATOM 0 HD3 LYS A 634 2.332 2.495 -8.318 1.00 25.00 H new ATOM 0 HE2 LYS A 634 3.907 2.590 -10.924 1.00 25.00 H new ATOM 0 HE3 LYS A 634 2.529 3.620 -10.589 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 4.601 4.733 -10.071 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 3.695 4.505 -8.653 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 5.030 3.507 -8.977 1.00 25.00 H new ATOM 816 N VAL A 635 4.766 -0.020 -5.316 1.00 25.00 N ATOM 817 CA VAL A 635 5.438 0.925 -4.416 1.00 25.00 C ATOM 818 C VAL A 635 6.560 0.263 -3.593 1.00 25.00 C ATOM 819 O VAL A 635 7.492 0.939 -3.158 1.00 25.00 O ATOM 820 CB VAL A 635 4.405 1.651 -3.488 1.00 25.00 C ATOM 821 CG1 VAL A 635 3.544 2.621 -4.297 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.514 0.678 -2.705 1.00 25.00 C ATOM 0 H VAL A 635 3.848 -0.320 -4.988 1.00 25.00 H new ATOM 0 HA VAL A 635 5.916 1.675 -5.047 1.00 25.00 H new ATOM 0 HB VAL A 635 4.988 2.207 -2.754 1.00 25.00 H new ATOM 0 HG11 VAL A 635 2.833 3.115 -3.635 1.00 25.00 H new ATOM 0 HG12 VAL A 635 4.182 3.369 -4.767 1.00 25.00 H new ATOM 0 HG13 VAL A 635 3.002 2.071 -5.066 1.00 25.00 H new ATOM 0 HG21 VAL A 635 2.820 1.242 -2.081 1.00 25.00 H new ATOM 0 HG22 VAL A 635 2.952 0.057 -3.403 1.00 25.00 H new ATOM 0 HG23 VAL A 635 4.136 0.043 -2.074 1.00 25.00 H new ATOM 832 N GLU A 636 6.462 -1.062 -3.411 1.00 25.00 N ATOM 833 CA GLU A 636 7.457 -1.845 -2.659 1.00 25.00 C ATOM 834 C GLU A 636 8.791 -1.933 -3.429 1.00 25.00 C ATOM 835 O GLU A 636 9.865 -1.933 -2.820 1.00 25.00 O ATOM 836 CB GLU A 636 6.909 -3.267 -2.419 1.00 25.00 C ATOM 837 CG GLU A 636 6.701 -4.115 -3.677 1.00 25.00 C ATOM 838 CD GLU A 636 7.935 -4.886 -4.116 1.00 25.00 C ATOM 839 OE1 GLU A 636 8.800 -5.153 -3.259 1.00 25.00 O ATOM 840 OE2 GLU A 636 8.036 -5.217 -5.317 1.00 25.00 O ATOM 0 H GLU A 636 5.693 -1.621 -3.780 1.00 25.00 H new ATOM 0 HA GLU A 636 7.642 -1.347 -1.707 1.00 25.00 H new ATOM 0 HB2 GLU A 636 7.595 -3.794 -1.756 1.00 25.00 H new ATOM 0 HB3 GLU A 636 5.957 -3.187 -1.895 1.00 25.00 H new ATOM 0 HG2 GLU A 636 5.890 -4.820 -3.497 1.00 25.00 H new ATOM 0 HG3 GLU A 636 6.383 -3.465 -4.492 1.00 25.00 H new ATOM 847 N GLY A 637 8.699 -2.001 -4.769 1.00 25.00 N ATOM 848 CA GLY A 637 9.883 -2.133 -5.619 1.00 25.00 C ATOM 849 C GLY A 637 10.586 -0.809 -5.897 1.00 25.00 C ATOM 850 O GLY A 637 11.765 -0.797 -6.260 1.00 25.00 O ATOM 0 H GLY A 637 7.817 -1.966 -5.280 1.00 25.00 H new ATOM 0 HA2 GLY A 637 10.587 -2.816 -5.143 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.591 -2.586 -6.567 1.00 25.00 H new ATOM 854 N ASP A 638 9.855 0.302 -5.727 1.00 25.00 N ATOM 855 CA ASP A 638 10.416 1.651 -5.900 1.00 25.00 C ATOM 856 C ASP A 638 11.164 2.116 -4.643 1.00 25.00 C ATOM 857 O ASP A 638 11.978 3.043 -4.708 1.00 25.00 O ATOM 858 CB ASP A 638 9.315 2.657 -6.258 1.00 25.00 C ATOM 859 CG ASP A 638 8.858 2.536 -7.701 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.491 1.779 -8.464 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.865 3.200 -8.066 1.00 25.00 O ATOM 0 H ASP A 638 8.868 0.293 -5.468 1.00 25.00 H new ATOM 0 HA ASP A 638 11.131 1.602 -6.721 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.462 2.506 -5.597 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.681 3.668 -6.080 1.00 25.00 H new ATOM 866 N MET A 639 10.881 1.462 -3.504 1.00 25.00 N ATOM 867 CA MET A 639 11.537 1.781 -2.224 1.00 25.00 C ATOM 868 C MET A 639 12.992 1.288 -2.194 1.00 25.00 C ATOM 869 O MET A 639 13.809 1.782 -1.412 1.00 25.00 O ATOM 870 CB MET A 639 10.777 1.159 -1.042 1.00 25.00 C ATOM 871 CG MET A 639 9.424 1.777 -0.753 1.00 25.00 C ATOM 872 SD MET A 639 8.643 1.220 0.768 1.00 25.00 S ATOM 873 CE MET A 639 9.041 -0.519 0.649 1.00 25.00 C ATOM 0 H MET A 639 10.199 0.706 -3.444 1.00 25.00 H new ATOM 0 HA MET A 639 11.529 2.867 -2.132 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.639 0.096 -1.237 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.395 1.241 -0.148 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.538 2.860 -0.710 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.757 1.560 -1.587 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.452 -1.078 1.376 1.00 25.00 H new ATOM 0 HE2 MET A 639 8.813 -0.877 -0.355 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.102 -0.664 0.853 1.00 25.00 H new ATOM 883 N TYR A 640 13.297 0.314 -3.066 1.00 25.00 N ATOM 884 CA TYR A 640 14.617 -0.330 -3.128 1.00 25.00 C ATOM 885 C TYR A 640 15.664 0.582 -3.786 1.00 25.00 C ATOM 886 O TYR A 640 16.848 0.527 -3.440 1.00 25.00 O ATOM 887 CB TYR A 640 14.495 -1.644 -3.916 1.00 25.00 C ATOM 888 CG TYR A 640 15.744 -2.505 -3.911 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.071 -3.292 -2.814 1.00 25.00 C ATOM 890 CD2 TYR A 640 16.603 -2.515 -5.005 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.219 -4.066 -2.809 1.00 25.00 C ATOM 892 CE2 TYR A 640 17.748 -3.286 -5.006 1.00 25.00 C ATOM 893 CZ TYR A 640 18.014 -4.111 -3.895 1.00 25.00 C ATOM 894 OH TYR A 640 19.194 -4.822 -3.912 1.00 25.00 O ATOM 0 H TYR A 640 12.633 -0.049 -3.749 1.00 25.00 H new ATOM 0 HA TYR A 640 14.952 -0.530 -2.110 1.00 25.00 H new ATOM 0 HB2 TYR A 640 13.669 -2.224 -3.504 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.236 -1.410 -4.949 1.00 25.00 H new ATOM 0 HD1 TYR A 640 15.420 -3.300 -1.952 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.370 -1.909 -5.868 1.00 25.00 H new ATOM 0 HE1 TYR A 640 17.478 -4.637 -1.929 1.00 25.00 H new ATOM 0 HE2 TYR A 640 18.429 -3.257 -5.844 1.00 25.00 H new ATOM 0 HH TYR A 640 19.620 -4.728 -4.790 1.00 25.00 H new ATOM 904 N GLU A 641 15.211 1.416 -4.734 1.00 25.00 N ATOM 905 CA GLU A 641 16.090 2.347 -5.459 1.00 25.00 C ATOM 906 C GLU A 641 16.224 3.695 -4.734 1.00 25.00 C ATOM 907 O GLU A 641 17.215 4.408 -4.922 1.00 25.00 O ATOM 908 CB GLU A 641 15.568 2.579 -6.888 1.00 25.00 C ATOM 909 CG GLU A 641 15.611 1.351 -7.792 1.00 25.00 C ATOM 910 CD GLU A 641 17.020 0.840 -8.052 1.00 25.00 C ATOM 911 OE1 GLU A 641 17.863 1.636 -8.515 1.00 25.00 O ATOM 912 OE2 GLU A 641 17.277 -0.355 -7.793 1.00 25.00 O ATOM 0 H GLU A 641 14.233 1.465 -5.018 1.00 25.00 H new ATOM 0 HA GLU A 641 17.077 1.887 -5.501 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.539 2.935 -6.831 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.155 3.373 -7.350 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.022 0.554 -7.338 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.139 1.593 -8.744 1.00 25.00 H new ATOM 919 N SER A 642 15.224 4.030 -3.905 1.00 25.00 N ATOM 920 CA SER A 642 15.183 5.318 -3.198 1.00 25.00 C ATOM 921 C SER A 642 15.869 5.244 -1.829 1.00 25.00 C ATOM 922 O SER A 642 16.516 6.206 -1.404 1.00 25.00 O ATOM 923 CB SER A 642 13.731 5.777 -3.027 1.00 25.00 C ATOM 924 OG SER A 642 12.972 4.817 -2.311 1.00 25.00 O ATOM 0 H SER A 642 14.429 3.423 -3.707 1.00 25.00 H new ATOM 0 HA SER A 642 15.729 6.041 -3.804 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.708 6.730 -2.499 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.282 5.944 -4.006 1.00 25.00 H new ATOM 0 HG SER A 642 12.020 4.940 -2.507 1.00 25.00 H new ATOM 930 N ALA A 643 15.722 4.100 -1.149 1.00 25.00 N ATOM 931 CA ALA A 643 16.292 3.894 0.185 1.00 25.00 C ATOM 932 C ALA A 643 17.702 3.294 0.119 1.00 25.00 C ATOM 933 O ALA A 643 18.065 2.647 -0.868 1.00 25.00 O ATOM 934 CB ALA A 643 15.383 2.985 0.986 1.00 25.00 C ATOM 0 H ALA A 643 15.207 3.296 -1.507 1.00 25.00 H new ATOM 0 HA ALA A 643 16.372 4.867 0.670 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.806 2.831 1.979 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.399 3.444 1.078 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.289 2.025 0.478 1.00 25.00 H new ATOM 940 N ASN A 644 18.484 3.519 1.184 1.00 25.00 N ATOM 941 CA ASN A 644 19.849 2.982 1.290 1.00 25.00 C ATOM 942 C ASN A 644 19.962 1.930 2.408 1.00 25.00 C ATOM 943 O ASN A 644 20.904 1.132 2.422 1.00 25.00 O ATOM 944 CB ASN A 644 20.869 4.119 1.514 1.00 25.00 C ATOM 945 CG ASN A 644 20.931 5.125 0.368 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.345 4.793 -0.743 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.505 6.354 0.637 1.00 25.00 N ATOM 0 H ASN A 644 18.193 4.073 1.989 1.00 25.00 H new ATOM 0 HA ASN A 644 20.078 2.488 0.346 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.616 4.646 2.434 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.858 3.684 1.657 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.513 7.067 -0.092 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.170 6.584 1.573 1.00 25.00 H new ATOM 954 N SER A 645 18.993 1.944 3.336 1.00 25.00 N ATOM 955 CA SER A 645 18.973 1.022 4.477 1.00 25.00 C ATOM 956 C SER A 645 17.585 0.397 4.636 1.00 25.00 C ATOM 957 O SER A 645 16.590 0.954 4.166 1.00 25.00 O ATOM 958 CB SER A 645 19.360 1.764 5.764 1.00 25.00 C ATOM 959 OG SER A 645 18.365 2.704 6.133 1.00 25.00 O ATOM 0 H SER A 645 18.206 2.592 3.315 1.00 25.00 H new ATOM 0 HA SER A 645 19.697 0.228 4.291 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.503 1.046 6.572 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.312 2.276 5.620 1.00 25.00 H new ATOM 0 HG SER A 645 18.636 3.161 6.957 1.00 25.00 H new ATOM 965 N ARG A 646 17.532 -0.769 5.306 1.00 25.00 N ATOM 966 CA ARG A 646 16.277 -1.521 5.501 1.00 25.00 C ATOM 967 C ARG A 646 15.343 -0.862 6.531 1.00 25.00 C ATOM 968 O ARG A 646 14.151 -1.179 6.580 1.00 25.00 O ATOM 969 CB ARG A 646 16.554 -2.996 5.867 1.00 25.00 C ATOM 970 CG ARG A 646 15.319 -3.882 6.021 1.00 25.00 C ATOM 971 CD ARG A 646 15.699 -5.272 6.506 1.00 25.00 C ATOM 972 NE ARG A 646 16.223 -5.249 7.878 1.00 25.00 N ATOM 973 CZ ARG A 646 15.472 -5.165 8.987 1.00 25.00 C ATOM 974 NH1 ARG A 646 14.142 -5.119 8.921 1.00 25.00 N ATOM 975 NH2 ARG A 646 16.062 -5.135 10.175 1.00 25.00 N ATOM 0 H ARG A 646 18.349 -1.214 5.724 1.00 25.00 H new ATOM 0 HA ARG A 646 15.755 -1.500 4.544 1.00 25.00 H new ATOM 0 HB2 ARG A 646 17.195 -3.428 5.099 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.115 -3.020 6.801 1.00 25.00 H new ATOM 0 HG2 ARG A 646 14.625 -3.425 6.726 1.00 25.00 H new ATOM 0 HG3 ARG A 646 14.800 -3.956 5.066 1.00 25.00 H new ATOM 0 HD2 ARG A 646 14.826 -5.923 6.462 1.00 25.00 H new ATOM 0 HD3 ARG A 646 16.448 -5.697 5.838 1.00 25.00 H new ATOM 0 HE ARG A 646 17.235 -5.301 7.997 1.00 25.00 H new ATOM 0 HH11 ARG A 646 13.675 -5.148 8.015 1.00 25.00 H new ATOM 0 HH12 ARG A 646 13.591 -5.055 9.777 1.00 25.00 H new ATOM 0 HH21 ARG A 646 17.079 -5.176 10.240 1.00 25.00 H new ATOM 0 HH22 ARG A 646 15.498 -5.071 11.023 1.00 25.00 H new ATOM 989 N ASP A 647 15.899 0.044 7.350 1.00 25.00 N ATOM 990 CA ASP A 647 15.109 0.831 8.306 1.00 25.00 C ATOM 991 C ASP A 647 14.437 2.027 7.603 1.00 25.00 C ATOM 992 O ASP A 647 13.377 2.490 8.034 1.00 25.00 O ATOM 993 CB ASP A 647 16.008 1.313 9.460 1.00 25.00 C ATOM 994 CG ASP A 647 16.417 0.196 10.408 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.713 -0.836 10.450 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.441 0.353 11.106 1.00 25.00 O ATOM 0 H ASP A 647 16.898 0.249 7.368 1.00 25.00 H new ATOM 0 HA ASP A 647 14.323 0.197 8.716 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.904 1.775 9.045 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.483 2.085 10.023 1.00 25.00 H new ATOM 1001 N GLU A 648 15.070 2.514 6.522 1.00 25.00 N ATOM 1002 CA GLU A 648 14.515 3.598 5.700 1.00 25.00 C ATOM 1003 C GLU A 648 13.571 3.026 4.630 1.00 25.00 C ATOM 1004 O GLU A 648 12.495 3.574 4.398 1.00 25.00 O ATOM 1005 CB GLU A 648 15.659 4.409 5.056 1.00 25.00 C ATOM 1006 CG GLU A 648 16.456 5.279 6.031 1.00 25.00 C ATOM 1007 CD GLU A 648 15.645 6.440 6.576 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.599 6.768 5.977 1.00 25.00 O ATOM 1009 OE2 GLU A 648 16.058 7.022 7.603 1.00 25.00 O ATOM 0 H GLU A 648 15.973 2.169 6.197 1.00 25.00 H new ATOM 0 HA GLU A 648 13.936 4.268 6.335 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.344 3.718 4.565 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.240 5.049 4.279 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.804 4.663 6.860 1.00 25.00 H new ATOM 0 HG3 GLU A 648 17.342 5.665 5.527 1.00 25.00 H new ATOM 1016 N TYR A 649 13.993 1.913 4.006 1.00 25.00 N ATOM 1017 CA TYR A 649 13.224 1.212 2.963 1.00 25.00 C ATOM 1018 C TYR A 649 11.820 0.813 3.455 1.00 25.00 C ATOM 1019 O TYR A 649 10.825 1.042 2.762 1.00 25.00 O ATOM 1020 CB TYR A 649 14.067 -0.002 2.482 1.00 25.00 C ATOM 1021 CG TYR A 649 13.342 -1.074 1.685 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.293 -1.005 0.299 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.710 -2.138 2.314 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.639 -1.964 -0.440 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.052 -3.105 1.580 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.019 -3.013 0.202 1.00 25.00 C ATOM 1027 OH TYR A 649 11.362 -3.972 -0.533 1.00 25.00 O ATOM 0 H TYR A 649 14.888 1.470 4.214 1.00 25.00 H new ATOM 0 HA TYR A 649 13.044 1.876 2.118 1.00 25.00 H new ATOM 0 HB2 TYR A 649 14.888 0.376 1.873 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.512 -0.474 3.358 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.777 -0.184 -0.208 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.733 -2.210 3.391 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.612 -1.894 -1.517 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.566 -3.929 2.081 1.00 25.00 H new ATOM 0 HH TYR A 649 10.980 -4.643 0.071 1.00 25.00 H new ATOM 1037 N TYR A 650 11.762 0.215 4.651 1.00 25.00 N ATOM 1038 CA TYR A 650 10.496 -0.155 5.289 1.00 25.00 C ATOM 1039 C TYR A 650 9.688 1.079 5.741 1.00 25.00 C ATOM 1040 O TYR A 650 8.489 0.972 6.014 1.00 25.00 O ATOM 1041 CB TYR A 650 10.765 -1.060 6.504 1.00 25.00 C ATOM 1042 CG TYR A 650 9.511 -1.589 7.183 1.00 25.00 C ATOM 1043 CD1 TYR A 650 8.808 -2.673 6.663 1.00 25.00 C ATOM 1044 CD2 TYR A 650 9.033 -1.001 8.348 1.00 25.00 C ATOM 1045 CE1 TYR A 650 7.676 -3.152 7.279 1.00 25.00 C ATOM 1046 CE2 TYR A 650 7.895 -1.478 8.972 1.00 25.00 C ATOM 1047 CZ TYR A 650 7.214 -2.561 8.416 1.00 25.00 C ATOM 1048 OH TYR A 650 6.090 -3.029 9.056 1.00 25.00 O ATOM 0 H TYR A 650 12.588 -0.024 5.200 1.00 25.00 H new ATOM 0 HA TYR A 650 9.904 -0.689 4.545 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.374 -1.905 6.184 1.00 25.00 H new ATOM 0 HB3 TYR A 650 11.351 -0.502 7.234 1.00 25.00 H new ATOM 0 HD1 TYR A 650 9.159 -3.147 5.758 1.00 25.00 H new ATOM 0 HD2 TYR A 650 9.559 -0.158 8.773 1.00 25.00 H new ATOM 0 HE1 TYR A 650 7.152 -3.999 6.861 1.00 25.00 H new ATOM 0 HE2 TYR A 650 7.537 -1.017 9.881 1.00 25.00 H new ATOM 0 HH TYR A 650 5.914 -2.482 9.850 1.00 25.00 H new ATOM 1058 N HIS A 651 10.353 2.244 5.804 1.00 25.00 N ATOM 1059 CA HIS A 651 9.740 3.468 6.333 1.00 25.00 C ATOM 1060 C HIS A 651 8.915 4.221 5.276 1.00 25.00 C ATOM 1061 O HIS A 651 8.005 4.971 5.641 1.00 25.00 O ATOM 1062 CB HIS A 651 10.824 4.383 6.933 1.00 25.00 C ATOM 1063 CG HIS A 651 10.615 4.735 8.382 1.00 25.00 C ATOM 1064 ND1 HIS A 651 11.629 4.704 9.318 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.500 5.115 9.055 1.00 25.00 C ATOM 1066 CE1 HIS A 651 11.147 5.045 10.501 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.858 5.300 10.367 1.00 25.00 N ATOM 0 H HIS A 651 11.318 2.361 5.494 1.00 25.00 H new ATOM 0 HA HIS A 651 9.043 3.171 7.117 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.793 3.894 6.827 1.00 25.00 H new ATOM 0 HB3 HIS A 651 10.866 5.304 6.351 1.00 25.00 H new ATOM 0 HD1 HIS A 651 12.600 4.456 9.127 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.513 5.247 8.636 1.00 25.00 H new ATOM 0 HE1 HIS A 651 11.711 5.105 11.420 1.00 25.00 H new ATOM 1076 N LEU A 652 9.218 4.027 3.976 1.00 25.00 N ATOM 1077 CA LEU A 652 8.433 4.649 2.908 1.00 25.00 C ATOM 1078 C LEU A 652 7.057 3.978 2.753 1.00 25.00 C ATOM 1079 O LEU A 652 6.101 4.617 2.307 1.00 25.00 O ATOM 1080 CB LEU A 652 9.166 4.598 1.551 1.00 25.00 C ATOM 1081 CG LEU A 652 10.505 5.359 1.371 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.195 5.045 0.050 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.310 6.855 1.560 1.00 25.00 C ATOM 0 H LEU A 652 9.993 3.450 3.650 1.00 25.00 H new ATOM 0 HA LEU A 652 8.297 5.690 3.200 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.354 3.549 1.322 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.476 4.970 0.794 1.00 25.00 H new ATOM 0 HG LEU A 652 11.176 5.002 2.152 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.126 5.608 -0.017 1.00 25.00 H new ATOM 0 HD12 LEU A 652 11.411 3.978 -0.003 1.00 25.00 H new ATOM 0 HD13 LEU A 652 10.542 5.324 -0.777 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.264 7.366 1.429 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.596 7.225 0.824 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.930 7.049 2.563 1.00 25.00 H new ATOM 1095 N LEU A 653 6.974 2.691 3.127 1.00 25.00 N ATOM 1096 CA LEU A 653 5.730 1.916 3.026 1.00 25.00 C ATOM 1097 C LEU A 653 4.862 2.082 4.282 1.00 25.00 C ATOM 1098 O LEU A 653 3.631 2.062 4.196 1.00 25.00 O ATOM 1099 CB LEU A 653 6.043 0.426 2.813 1.00 25.00 C ATOM 1100 CG LEU A 653 5.161 -0.326 1.798 1.00 25.00 C ATOM 1101 CD1 LEU A 653 4.930 0.538 0.587 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.776 -1.646 1.361 1.00 25.00 C ATOM 0 H LEU A 653 7.761 2.163 3.505 1.00 25.00 H new ATOM 0 HA LEU A 653 5.174 2.298 2.169 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.081 0.338 2.493 1.00 25.00 H new ATOM 0 HB3 LEU A 653 5.962 -0.080 3.775 1.00 25.00 H new ATOM 0 HG LEU A 653 4.217 -0.548 2.295 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.306 0.002 -0.128 1.00 25.00 H new ATOM 0 HD12 LEU A 653 4.430 1.459 0.887 1.00 25.00 H new ATOM 0 HD13 LEU A 653 5.887 0.779 0.124 1.00 25.00 H new ATOM 0 HD21 LEU A 653 5.115 -2.136 0.646 1.00 25.00 H new ATOM 0 HD22 LEU A 653 6.743 -1.460 0.893 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.912 -2.290 2.230 1.00 25.00 H new ATOM 1114 N ALA A 654 5.520 2.250 5.445 1.00 25.00 N ATOM 1115 CA ALA A 654 4.830 2.433 6.732 1.00 25.00 C ATOM 1116 C ALA A 654 4.217 3.831 6.861 1.00 25.00 C ATOM 1117 O ALA A 654 3.227 4.012 7.578 1.00 25.00 O ATOM 1118 CB ALA A 654 5.792 2.176 7.883 1.00 25.00 C ATOM 0 H ALA A 654 6.537 2.262 5.517 1.00 25.00 H new ATOM 0 HA ALA A 654 4.014 1.712 6.772 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.271 2.314 8.830 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.168 1.155 7.821 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.627 2.875 7.823 1.00 25.00 H new ATOM 1124 N GLU A 655 4.809 4.817 6.163 1.00 25.00 N ATOM 1125 CA GLU A 655 4.284 6.192 6.156 1.00 25.00 C ATOM 1126 C GLU A 655 3.077 6.333 5.220 1.00 25.00 C ATOM 1127 O GLU A 655 2.215 7.186 5.445 1.00 25.00 O ATOM 1128 CB GLU A 655 5.386 7.217 5.805 1.00 25.00 C ATOM 1129 CG GLU A 655 6.472 7.391 6.866 1.00 25.00 C ATOM 1130 CD GLU A 655 7.561 8.357 6.434 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.369 9.051 5.413 1.00 25.00 O ATOM 1132 OE2 GLU A 655 8.605 8.420 7.117 1.00 25.00 O ATOM 0 H GLU A 655 5.649 4.687 5.599 1.00 25.00 H new ATOM 0 HA GLU A 655 3.940 6.409 7.167 1.00 25.00 H new ATOM 0 HB2 GLU A 655 5.858 6.914 4.871 1.00 25.00 H new ATOM 0 HB3 GLU A 655 4.917 8.184 5.626 1.00 25.00 H new ATOM 0 HG2 GLU A 655 6.018 7.750 7.790 1.00 25.00 H new ATOM 0 HG3 GLU A 655 6.918 6.421 7.086 1.00 25.00 H new ATOM 1139 N LYS A 656 3.020 5.487 4.174 1.00 25.00 N ATOM 1140 CA LYS A 656 1.822 5.382 3.325 1.00 25.00 C ATOM 1141 C LYS A 656 0.703 4.693 4.107 1.00 25.00 C ATOM 1142 O LYS A 656 -0.475 4.988 3.918 1.00 25.00 O ATOM 1143 CB LYS A 656 2.090 4.574 2.039 1.00 25.00 C ATOM 1144 CG LYS A 656 3.058 5.204 1.027 1.00 25.00 C ATOM 1145 CD LYS A 656 3.352 4.287 -0.157 1.00 25.00 C ATOM 1146 CE LYS A 656 4.391 4.892 -1.097 1.00 25.00 C ATOM 1147 NZ LYS A 656 3.902 6.134 -1.761 1.00 25.00 N ATOM 0 H LYS A 656 3.785 4.871 3.899 1.00 25.00 H new ATOM 0 HA LYS A 656 1.535 6.394 3.040 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.482 3.598 2.324 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.137 4.402 1.539 1.00 25.00 H new ATOM 0 HG2 LYS A 656 2.636 6.140 0.660 1.00 25.00 H new ATOM 0 HG3 LYS A 656 3.993 5.452 1.530 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.709 3.324 0.209 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.431 4.097 -0.707 1.00 25.00 H new ATOM 0 HE2 LYS A 656 5.298 5.116 -0.536 1.00 25.00 H new ATOM 0 HE3 LYS A 656 4.660 4.159 -1.857 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 4.608 6.460 -2.451 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 3.006 5.936 -2.250 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 3.751 6.874 -1.046 1.00 25.00 H new ATOM 1161 N ILE A 657 1.116 3.803 5.026 1.00 25.00 N ATOM 1162 CA ILE A 657 0.199 3.007 5.852 1.00 25.00 C ATOM 1163 C ILE A 657 -0.566 3.901 6.849 1.00 25.00 C ATOM 1164 O ILE A 657 -1.694 3.586 7.233 1.00 25.00 O ATOM 1165 CB ILE A 657 0.999 1.849 6.560 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.206 0.695 5.546 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.341 1.350 7.859 1.00 25.00 C ATOM 1168 CD1 ILE A 657 2.107 -0.450 6.008 1.00 25.00 C ATOM 0 H ILE A 657 2.101 3.617 5.216 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.558 2.547 5.217 1.00 25.00 H new ATOM 0 HB ILE A 657 1.963 2.250 6.872 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.230 0.282 5.291 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.624 1.113 4.630 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.947 0.553 8.291 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.266 2.174 8.569 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.656 0.969 7.639 1.00 25.00 H new ATOM 0 HD11 ILE A 657 2.178 -1.198 5.218 1.00 25.00 H new ATOM 0 HD12 ILE A 657 3.101 -0.063 6.232 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.685 -0.907 6.903 1.00 25.00 H new ATOM 1180 N TYR A 658 0.060 5.009 7.249 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.557 5.962 8.167 1.00 25.00 C ATOM 1182 C TYR A 658 -1.453 6.952 7.403 1.00 25.00 C ATOM 1183 O TYR A 658 -2.488 7.380 7.917 1.00 25.00 O ATOM 1184 CB TYR A 658 0.537 6.713 8.945 1.00 25.00 C ATOM 1185 CG TYR A 658 1.295 5.870 9.959 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.661 5.643 9.822 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.646 5.306 11.053 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.355 4.880 10.743 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.333 4.543 11.977 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.685 4.333 11.817 1.00 25.00 C ATOM 1191 OH TYR A 658 3.373 3.574 12.735 1.00 25.00 O ATOM 0 H TYR A 658 1.000 5.268 6.948 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.184 5.417 8.872 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.250 7.127 8.232 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.080 7.556 9.464 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.188 6.070 8.982 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.414 5.468 11.182 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.415 4.714 10.622 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.813 4.113 12.820 1.00 25.00 H new ATOM 0 HH TYR A 658 2.756 3.263 13.431 1.00 25.00 H new ATOM 1201 N LYS A 659 -1.042 7.291 6.169 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.771 8.258 5.323 1.00 25.00 C ATOM 1203 C LYS A 659 -3.023 7.646 4.696 1.00 25.00 C ATOM 1204 O LYS A 659 -4.018 8.345 4.484 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.864 8.824 4.217 1.00 25.00 C ATOM 1206 CG LYS A 659 0.259 9.740 4.709 1.00 25.00 C ATOM 1207 CD LYS A 659 1.151 10.247 3.569 1.00 25.00 C ATOM 1208 CE LYS A 659 2.183 11.247 4.055 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.357 10.589 4.700 1.00 25.00 N ATOM 0 H LYS A 659 -0.204 6.908 5.731 1.00 25.00 H new ATOM 0 HA LYS A 659 -2.083 9.070 5.980 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.421 7.992 3.670 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -1.481 9.378 3.510 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -0.175 10.592 5.232 1.00 25.00 H new ATOM 0 HG3 LYS A 659 0.871 9.201 5.432 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.657 9.402 3.102 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.530 10.711 2.802 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.525 11.849 3.213 1.00 25.00 H new ATOM 0 HE3 LYS A 659 1.717 11.929 4.766 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.032 11.315 5.014 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 3.037 10.035 5.520 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 3.821 9.958 4.016 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.965 6.337 4.407 1.00 25.00 N ATOM 1224 CA ILE A 660 -4.130 5.580 3.920 1.00 25.00 C ATOM 1225 C ILE A 660 -5.174 5.454 5.048 1.00 25.00 C ATOM 1226 O ILE A 660 -6.378 5.419 4.796 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.701 4.166 3.395 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.900 4.306 2.084 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.917 3.255 3.171 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.021 3.108 1.747 1.00 25.00 C ATOM 0 H ILE A 660 -2.118 5.777 4.503 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.576 6.119 3.084 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.072 3.706 4.157 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.598 4.470 1.263 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.271 5.194 2.151 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.582 2.284 2.807 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.453 3.125 4.111 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.581 3.709 2.435 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.496 3.294 0.810 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.295 2.953 2.545 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.642 2.218 1.644 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.674 5.405 6.286 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.507 5.340 7.488 1.00 25.00 C ATOM 1244 C GLN A 661 -6.169 6.690 7.813 1.00 25.00 C ATOM 1245 O GLN A 661 -7.162 6.738 8.545 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.655 4.860 8.670 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.234 3.388 8.586 1.00 25.00 C ATOM 1248 CD GLN A 661 -5.321 2.375 8.969 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -6.097 2.624 9.891 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -5.399 1.245 8.267 1.00 25.00 N ATOM 0 H GLN A 661 -3.673 5.409 6.483 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.314 4.632 7.301 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.760 5.479 8.733 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.215 5.014 9.593 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -3.906 3.178 7.568 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.372 3.235 9.236 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -4.740 1.069 7.509 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -6.118 0.556 8.488 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.613 7.781 7.258 1.00 25.00 N ATOM 1260 CA LYS A 662 -6.165 9.136 7.444 1.00 25.00 C ATOM 1261 C LYS A 662 -7.381 9.375 6.538 1.00 25.00 C ATOM 1262 O LYS A 662 -8.367 9.985 6.960 1.00 25.00 O ATOM 1263 CB LYS A 662 -5.107 10.219 7.135 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.509 11.688 7.382 1.00 25.00 C ATOM 1265 CD LYS A 662 -6.126 12.371 6.176 1.00 25.00 C ATOM 1266 CE LYS A 662 -6.654 13.750 6.515 1.00 25.00 C ATOM 1267 NZ LYS A 662 -7.587 14.264 5.473 1.00 25.00 N ATOM 0 H LYS A 662 -4.777 7.751 6.674 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.469 9.207 8.488 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -4.221 10.006 7.733 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.817 10.119 6.089 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.217 11.726 8.210 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -4.627 12.248 7.692 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -5.381 12.452 5.384 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -6.938 11.757 5.787 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -7.168 13.715 7.476 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -5.818 14.441 6.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -7.924 15.210 5.745 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -7.091 14.322 4.561 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -8.398 13.619 5.385 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.290 8.888 5.292 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.328 9.084 4.266 1.00 25.00 C ATOM 1283 C GLU A 663 -9.621 8.342 4.612 1.00 25.00 C ATOM 1284 O GLU A 663 -10.715 8.882 4.442 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.825 8.601 2.891 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.671 9.410 2.299 1.00 25.00 C ATOM 1287 CD GLU A 663 -7.010 10.877 2.065 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -8.037 11.154 1.411 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -6.243 11.744 2.534 1.00 25.00 O ATOM 0 H GLU A 663 -6.491 8.344 4.965 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.542 10.152 4.230 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.510 7.562 2.982 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.659 8.621 2.189 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.813 9.347 2.968 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.371 8.960 1.353 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.480 7.096 5.087 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.632 6.283 5.514 1.00 25.00 C ATOM 1298 C LEU A 664 -11.213 6.752 6.858 1.00 25.00 C ATOM 1299 O LEU A 664 -12.354 6.422 7.193 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.261 4.784 5.615 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.902 4.035 4.304 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.350 2.636 4.575 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -11.094 3.963 3.364 1.00 25.00 C ATOM 0 H LEU A 664 -8.579 6.627 5.186 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.394 6.415 4.746 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.413 4.694 6.294 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -11.098 4.263 6.079 1.00 25.00 H new ATOM 0 HG LEU A 664 -9.115 4.612 3.819 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -9.113 2.149 3.629 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.447 2.712 5.181 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -10.096 2.048 5.109 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.809 3.432 2.455 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.911 3.433 3.853 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.417 4.972 3.109 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.416 7.523 7.620 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.805 8.003 8.958 1.00 25.00 C ATOM 1317 C GLU A 665 -12.014 8.968 8.907 1.00 25.00 C ATOM 1318 O GLU A 665 -12.699 9.153 9.917 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.592 8.671 9.634 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.845 9.176 11.054 1.00 25.00 C ATOM 1321 CD GLU A 665 -8.593 9.727 11.710 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -7.874 10.511 11.054 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -8.332 9.376 12.880 1.00 25.00 O ATOM 0 H GLU A 665 -9.488 7.830 7.327 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.122 7.143 9.548 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.769 7.956 9.659 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.267 9.510 9.018 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -10.609 9.953 11.028 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -10.240 8.361 11.660 1.00 25.00 H new ATOM 1694 N SER B 536 -7.662 9.293 -3.916 1.00 25.00 N ATOM 1695 CA SER B 536 -8.724 9.167 -4.915 1.00 25.00 C ATOM 1696 C SER B 536 -9.068 7.705 -5.217 1.00 25.00 C ATOM 1697 O SER B 536 -10.244 7.359 -5.317 1.00 25.00 O ATOM 1698 CB SER B 536 -8.323 9.895 -6.196 1.00 25.00 C ATOM 1699 OG SER B 536 -8.006 11.256 -5.946 1.00 25.00 O ATOM 0 HA SER B 536 -9.621 9.627 -4.500 1.00 25.00 H new ATOM 0 HB2 SER B 536 -7.463 9.397 -6.644 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.137 9.837 -6.918 1.00 25.00 H new ATOM 0 HG SER B 536 -7.728 11.361 -5.012 1.00 25.00 H new ATOM 1705 N ILE B 537 -8.042 6.847 -5.334 1.00 25.00 N ATOM 1706 CA ILE B 537 -8.234 5.462 -5.800 1.00 25.00 C ATOM 1707 C ILE B 537 -8.710 4.538 -4.673 1.00 25.00 C ATOM 1708 O ILE B 537 -9.548 3.664 -4.908 1.00 25.00 O ATOM 1709 CB ILE B 537 -6.931 4.872 -6.452 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -6.522 5.636 -7.746 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -7.078 3.366 -6.742 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -5.094 5.404 -8.234 1.00 25.00 C ATOM 0 H ILE B 537 -7.075 7.085 -5.114 1.00 25.00 H new ATOM 0 HA ILE B 537 -9.011 5.508 -6.563 1.00 25.00 H new ATOM 0 HB ILE B 537 -6.132 5.007 -5.723 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -7.209 5.353 -8.544 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -6.657 6.704 -7.573 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -6.159 2.991 -7.192 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -7.270 2.833 -5.811 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -7.910 3.207 -7.428 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -4.920 5.985 -9.140 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -4.390 5.716 -7.462 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -4.950 4.345 -8.449 1.00 25.00 H new ATOM 1724 N ALA B 538 -8.181 4.734 -3.463 1.00 25.00 N ATOM 1725 CA ALA B 538 -8.485 3.841 -2.345 1.00 25.00 C ATOM 1726 C ALA B 538 -9.819 4.167 -1.673 1.00 25.00 C ATOM 1727 O ALA B 538 -10.322 3.391 -0.854 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.345 3.841 -1.337 1.00 25.00 C ATOM 0 H ALA B 538 -7.545 5.498 -3.234 1.00 25.00 H new ATOM 0 HA ALA B 538 -8.588 2.837 -2.757 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.589 3.171 -0.512 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -6.430 3.501 -1.822 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.199 4.851 -0.953 1.00 25.00 H new ATOM 1734 N ASP B 539 -10.376 5.314 -2.036 1.00 25.00 N ATOM 1735 CA ASP B 539 -11.709 5.720 -1.584 1.00 25.00 C ATOM 1736 C ASP B 539 -12.743 5.484 -2.702 1.00 25.00 C ATOM 1737 O ASP B 539 -13.953 5.586 -2.477 1.00 25.00 O ATOM 1738 CB ASP B 539 -11.689 7.190 -1.119 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.107 7.379 0.275 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.568 6.690 1.211 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -10.191 8.213 0.429 1.00 25.00 O ATOM 0 H ASP B 539 -9.922 5.991 -2.650 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.003 5.110 -0.730 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -11.109 7.779 -1.829 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -12.706 7.582 -1.135 1.00 25.00 H new ATOM 1746 N MET B 540 -12.240 5.157 -3.902 1.00 25.00 N ATOM 1747 CA MET B 540 -13.081 4.747 -5.030 1.00 25.00 C ATOM 1748 C MET B 540 -13.189 3.228 -5.115 1.00 25.00 C ATOM 1749 O MET B 540 -14.196 2.693 -5.590 1.00 25.00 O ATOM 1750 CB MET B 540 -12.531 5.286 -6.345 1.00 25.00 C ATOM 1751 CG MET B 540 -12.938 6.732 -6.629 1.00 25.00 C ATOM 1752 SD MET B 540 -12.055 7.467 -8.026 1.00 25.00 S ATOM 1753 CE MET B 540 -12.885 6.695 -9.409 1.00 25.00 C ATOM 0 H MET B 540 -11.242 5.170 -4.114 1.00 25.00 H new ATOM 0 HA MET B 540 -14.074 5.163 -4.859 1.00 25.00 H new ATOM 0 HB2 MET B 540 -11.443 5.219 -6.329 1.00 25.00 H new ATOM 0 HB3 MET B 540 -12.877 4.652 -7.162 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.009 6.768 -6.827 1.00 25.00 H new ATOM 0 HG3 MET B 540 -12.758 7.334 -5.738 1.00 25.00 H new ATOM 0 HE1 MET B 540 -12.447 7.052 -10.341 1.00 25.00 H new ATOM 0 HE2 MET B 540 -12.769 5.613 -9.345 1.00 25.00 H new ATOM 0 HE3 MET B 540 -13.945 6.949 -9.385 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.139 2.542 -4.646 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.072 1.084 -4.694 1.00 25.00 C ATOM 1765 C ASP B 541 -12.650 0.451 -3.418 1.00 25.00 C ATOM 1766 O ASP B 541 -13.047 -0.715 -3.438 1.00 25.00 O ATOM 1767 CB ASP B 541 -10.619 0.638 -4.906 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.126 0.844 -6.331 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -10.942 1.242 -7.190 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -8.925 0.609 -6.585 1.00 25.00 O ATOM 0 H ASP B 541 -11.320 2.982 -4.226 1.00 25.00 H new ATOM 0 HA ASP B 541 -12.679 0.742 -5.532 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -9.974 1.190 -4.223 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.529 -0.417 -4.647 1.00 25.00 H new ATOM 1775 N PHE B 542 -12.713 1.228 -2.320 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.183 0.715 -1.021 1.00 25.00 C ATOM 1777 C PHE B 542 -14.704 0.468 -1.018 1.00 25.00 C ATOM 1778 O PHE B 542 -15.193 -0.357 -0.247 1.00 25.00 O ATOM 1779 CB PHE B 542 -12.807 1.709 0.091 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.039 1.218 1.500 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.157 0.331 2.101 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.155 1.632 2.213 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.383 -0.130 3.385 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.384 1.176 3.496 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.497 0.293 4.084 1.00 25.00 C ATOM 0 H PHE B 542 -12.444 2.212 -2.308 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.696 -0.243 -0.841 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -11.754 1.969 -0.017 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.378 2.626 -0.055 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.284 -0.003 1.560 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -14.853 2.319 1.759 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.689 -0.820 3.841 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.256 1.509 4.040 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.675 -0.065 5.087 1.00 25.00 H new ATOM 1795 N SER B 543 -15.431 1.178 -1.893 1.00 25.00 N ATOM 1796 CA SER B 543 -16.898 1.092 -1.954 1.00 25.00 C ATOM 1797 C SER B 543 -17.371 -0.130 -2.755 1.00 25.00 C ATOM 1798 O SER B 543 -18.369 -0.762 -2.398 1.00 25.00 O ATOM 1799 CB SER B 543 -17.472 2.377 -2.561 1.00 25.00 C ATOM 1800 OG SER B 543 -16.983 2.593 -3.875 1.00 25.00 O ATOM 0 H SER B 543 -15.024 1.822 -2.572 1.00 25.00 H new ATOM 0 HA SER B 543 -17.265 0.974 -0.934 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.560 2.317 -2.582 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.212 3.227 -1.930 1.00 25.00 H new ATOM 0 HG SER B 543 -17.368 3.419 -4.236 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.644 -0.449 -3.831 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.959 -1.599 -4.688 1.00 25.00 C ATOM 1808 C ALA B 544 -16.370 -2.901 -4.128 1.00 25.00 C ATOM 1809 O ALA B 544 -16.841 -3.996 -4.451 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.453 -1.347 -6.101 1.00 25.00 C ATOM 0 H ALA B 544 -15.825 0.079 -4.132 1.00 25.00 H new ATOM 0 HA ALA B 544 -18.042 -1.716 -4.711 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.690 -2.204 -6.731 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.933 -0.456 -6.506 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -15.373 -1.200 -6.080 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.340 -2.757 -3.284 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.622 -3.890 -2.690 1.00 25.00 C ATOM 1818 C LEU B 545 -15.333 -4.414 -1.424 1.00 25.00 C ATOM 1819 O LEU B 545 -15.036 -5.516 -0.955 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.171 -3.448 -2.411 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.166 -3.382 -3.582 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -10.856 -2.696 -3.210 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -11.861 -4.786 -4.064 1.00 25.00 C ATOM 0 H LEU B 545 -14.981 -1.848 -2.994 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.611 -4.729 -3.385 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.211 -2.458 -1.957 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -12.759 -4.126 -1.663 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.635 -2.787 -4.366 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.194 -2.682 -4.076 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.058 -1.673 -2.892 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.378 -3.241 -2.396 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.152 -4.741 -4.891 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.430 -5.365 -3.247 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.781 -5.263 -4.401 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.272 -3.613 -0.881 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.194 -4.082 0.174 1.00 25.00 C ATOM 1837 C LEU B 546 -18.363 -4.842 -0.450 1.00 25.00 C ATOM 1838 O LEU B 546 -18.951 -5.732 0.169 1.00 25.00 O ATOM 1839 CB LEU B 546 -17.755 -2.905 0.991 1.00 25.00 C ATOM 1840 CG LEU B 546 -16.761 -2.175 1.890 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -17.325 -0.828 2.316 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -16.432 -3.008 3.119 1.00 25.00 C ATOM 0 H LEU B 546 -16.412 -2.640 -1.155 1.00 25.00 H new ATOM 0 HA LEU B 546 -16.628 -4.737 0.836 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.186 -2.182 0.299 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -18.570 -3.277 1.612 1.00 25.00 H new ATOM 0 HG LEU B 546 -15.844 -2.015 1.322 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -16.605 -0.318 2.957 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -17.519 -0.219 1.433 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -18.255 -0.980 2.864 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -15.722 -2.468 3.745 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -17.344 -3.197 3.685 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -15.994 -3.957 2.809 1.00 25.00 H new ATOM 1854 N SER B 547 -18.675 -4.461 -1.693 1.00 25.00 N ATOM 1855 CA SER B 547 -19.769 -5.059 -2.472 1.00 25.00 C ATOM 1856 C SER B 547 -19.447 -6.487 -2.943 1.00 25.00 C ATOM 1857 O SER B 547 -20.352 -7.227 -3.343 1.00 25.00 O ATOM 1858 CB SER B 547 -20.093 -4.175 -3.680 1.00 25.00 C ATOM 1859 OG SER B 547 -19.263 -4.491 -4.786 1.00 25.00 O ATOM 0 H SER B 547 -18.174 -3.725 -2.191 1.00 25.00 H new ATOM 0 HA SER B 547 -20.635 -5.124 -1.813 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.139 -4.305 -3.958 1.00 25.00 H new ATOM 0 HB3 SER B 547 -19.962 -3.127 -3.412 1.00 25.00 H new ATOM 0 HG SER B 547 -18.422 -3.993 -4.716 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.159 -6.867 -2.894 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.717 -8.210 -3.314 1.00 25.00 C ATOM 1867 C GLN B 548 -17.987 -9.270 -2.236 1.00 25.00 C ATOM 1868 O GLN B 548 -17.888 -10.474 -2.498 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.223 -8.215 -3.674 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.854 -7.325 -4.853 1.00 25.00 C ATOM 1871 CD GLN B 548 -16.694 -7.593 -6.094 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -16.891 -8.739 -6.503 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -17.199 -6.526 -6.699 1.00 25.00 N ATOM 0 H GLN B 548 -17.404 -6.263 -2.568 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.301 -8.465 -4.198 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -15.651 -7.897 -2.802 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.920 -9.238 -3.898 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -15.971 -6.281 -4.562 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -14.802 -7.473 -5.096 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -17.013 -5.594 -6.329 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -17.774 -6.638 -7.534 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.338 -8.808 -1.034 1.00 25.00 N ATOM 1883 CA ILE B 549 -18.616 -9.694 0.108 1.00 25.00 C ATOM 1884 C ILE B 549 -20.133 -9.932 0.243 1.00 25.00 C ATOM 1885 O ILE B 549 -20.561 -11.011 0.665 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.038 -9.119 1.446 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -16.494 -9.061 1.389 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -18.488 -9.974 2.645 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -15.848 -8.243 2.497 1.00 25.00 C ATOM 0 H ILE B 549 -18.438 -7.815 -0.821 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.119 -10.644 -0.085 1.00 25.00 H new ATOM 0 HB ILE B 549 -18.424 -8.108 1.574 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.104 -10.078 1.432 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.195 -8.645 0.427 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.076 -9.557 3.564 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -19.576 -9.975 2.703 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.131 -10.996 2.518 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -14.765 -8.259 2.377 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.204 -7.214 2.445 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.112 -8.669 3.465 1.00 25.00 H new ATOM 1901 N SER B 550 -20.930 -8.917 -0.121 1.00 25.00 N ATOM 1902 CA SER B 550 -22.393 -9.001 -0.045 1.00 25.00 C ATOM 1903 C SER B 550 -23.004 -9.432 -1.383 1.00 25.00 C ATOM 1904 O SER B 550 -24.028 -10.119 -1.408 1.00 25.00 O ATOM 1905 CB SER B 550 -22.981 -7.653 0.388 1.00 25.00 C ATOM 1906 OG SER B 550 -22.588 -6.616 -0.496 1.00 25.00 O ATOM 0 H SER B 550 -20.582 -8.025 -0.472 1.00 25.00 H new ATOM 0 HA SER B 550 -22.641 -9.759 0.698 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.069 -7.719 0.415 1.00 25.00 H new ATOM 0 HB3 SER B 550 -22.651 -7.417 1.400 1.00 25.00 H new ATOM 0 HG SER B 550 -22.978 -5.767 -0.199 1.00 25.00 H new ATOM 1912 N SER B 551 -22.355 -9.021 -2.497 1.00 25.00 N ATOM 1913 CA SER B 551 -22.791 -9.338 -3.879 1.00 25.00 C ATOM 1914 C SER B 551 -24.214 -8.826 -4.166 1.00 25.00 C ATOM 1915 O SER B 551 -25.190 -9.502 -3.768 1.00 25.00 O ATOM 1916 CB SER B 551 -22.679 -10.851 -4.169 1.00 25.00 C ATOM 1917 OG SER B 551 -21.345 -11.312 -4.016 1.00 25.00 O ATOM 1918 OXT SER B 551 -24.335 -7.748 -4.786 1.00 25.00 O ATOM 0 H SER B 551 -21.507 -8.455 -2.463 1.00 25.00 H new ATOM 0 HA SER B 551 -22.115 -8.813 -4.554 1.00 25.00 H new ATOM 0 HB2 SER B 551 -23.335 -11.401 -3.495 1.00 25.00 H new ATOM 0 HB3 SER B 551 -23.021 -11.055 -5.184 1.00 25.00 H new ATOM 0 HG SER B 551 -21.307 -12.273 -4.205 1.00 25.00 H new