USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=26 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 609 GLN : amide:sc= 1.21 K(o=2.1,f=-1.1!) USER MOD Set 1.2: A 614 THR OG1 : rot -130:sc= 0.868 USER MOD Set 2.1: A 592 HIS : no HE2:sc= 1.24 K(o=1.5,f=-6.7!) USER MOD Set 2.2: A 640 TYR OH : rot -2:sc= 0.224 USER MOD Single : A 594 HIS :FLIP no HE2:sc= -0.0186 F(o=-0.71,f=-0.019) USER MOD Single : A 596 THR OG1 : rot -160:sc= 0.745 USER MOD Single : A 597 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 601 SER OG : rot -16:sc= 0.652 USER MOD Single : A 602 HIS :FLIP no HE2:sc= 0.229 F(o=-2.3!,f=0.23) USER MOD Single : A 605 HIS :FLIP no HE2:sc= 0.0059 F(o=-0.57,f=0.0059) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -126:sc= -0.719 (180deg=-4.19!) USER MOD Single : A 627 ASN :FLIP amide:sc= -0.0902 F(o=-1.8!,f=-0.09) 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+ -178:sc= 0 (180deg=-0.00552) USER MOD Single : A 639 MET CE :methyl 157:sc= -0.811 (180deg=-3.09!) USER MOD Single : A 642 SER OG : rot -112:sc= 1.06 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 140:sc= -0.58 USER MOD Single : A 649 TYR OH : rot 15:sc= 0.825 USER MOD Single : A 650 TYR OH : rot 30:sc=-0.00928 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 656 LYS NZ :NH3+ 143:sc= 0 (180deg=-1.25) 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=-0.58) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 SER OG : rot -35:sc= 0.0659 USER MOD Single : B 540 MET CE :methyl 169:sc=-0.000165 (180deg=-0.163) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -24:sc= 0.0426 USER MOD Single : B 548 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.083) USER MOD Single : B 550 SER OG : rot -76:sc= 0.267 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 23.037 -4.192 4.924 1.00 25.00 N ATOM 73 CA GLY A 590 22.434 -5.423 5.452 1.00 25.00 C ATOM 74 C GLY A 590 21.088 -5.787 4.824 1.00 25.00 C ATOM 75 O GLY A 590 20.826 -6.964 4.565 1.00 25.00 O ATOM 0 HA2 GLY A 590 23.129 -6.249 5.297 1.00 25.00 H new ATOM 0 HA3 GLY A 590 22.302 -5.315 6.529 1.00 25.00 H new ATOM 79 N TRP A 591 20.256 -4.766 4.558 1.00 25.00 N ATOM 80 CA TRP A 591 18.901 -4.948 3.991 1.00 25.00 C ATOM 81 C TRP A 591 18.918 -5.670 2.629 1.00 25.00 C ATOM 82 O TRP A 591 18.035 -6.475 2.338 1.00 25.00 O ATOM 83 CB TRP A 591 18.198 -3.580 3.860 1.00 25.00 C ATOM 84 CG TRP A 591 18.785 -2.660 2.813 1.00 25.00 C ATOM 85 CD1 TRP A 591 19.811 -1.774 2.981 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.373 -2.542 1.442 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.067 -1.117 1.800 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.195 -1.567 0.844 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.391 -3.163 0.661 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.066 -1.202 -0.495 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.264 -2.799 -0.665 1.00 25.00 C ATOM 92 CH2 TRP A 591 18.098 -1.827 -1.232 1.00 25.00 C ATOM 0 H TRP A 591 20.500 -3.790 4.728 1.00 25.00 H new ATOM 0 HA TRP A 591 18.346 -5.585 4.680 1.00 25.00 H new ATOM 0 HB2 TRP A 591 17.147 -3.749 3.626 1.00 25.00 H new ATOM 0 HB3 TRP A 591 18.233 -3.076 4.826 1.00 25.00 H new ATOM 0 HD1 TRP A 591 20.344 -1.613 3.907 1.00 25.00 H new ATOM 0 HE1 TRP A 591 20.789 -0.410 1.659 1.00 25.00 H new ATOM 0 HE3 TRP A 591 16.744 -3.914 1.088 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.707 -0.453 -0.935 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.509 -3.272 -1.275 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.974 -1.566 -2.273 1.00 25.00 H new ATOM 103 N HIS A 592 19.945 -5.378 1.815 1.00 25.00 N ATOM 104 CA HIS A 592 20.063 -5.913 0.447 1.00 25.00 C ATOM 105 C HIS A 592 20.245 -7.445 0.441 1.00 25.00 C ATOM 106 O HIS A 592 19.682 -8.134 -0.414 1.00 25.00 O ATOM 107 CB HIS A 592 21.244 -5.225 -0.265 1.00 25.00 C ATOM 108 CG HIS A 592 21.387 -5.562 -1.724 1.00 25.00 C ATOM 109 ND1 HIS A 592 22.104 -6.648 -2.181 1.00 25.00 N ATOM 110 CD2 HIS A 592 20.904 -4.942 -2.827 1.00 25.00 C ATOM 111 CE1 HIS A 592 22.057 -6.680 -3.502 1.00 25.00 C ATOM 112 NE2 HIS A 592 21.334 -5.656 -3.918 1.00 25.00 N ATOM 0 H HIS A 592 20.715 -4.766 2.085 1.00 25.00 H new ATOM 0 HA HIS A 592 19.136 -5.701 -0.086 1.00 25.00 H new ATOM 0 HB2 HIS A 592 21.130 -4.146 -0.166 1.00 25.00 H new ATOM 0 HB3 HIS A 592 22.167 -5.497 0.248 1.00 25.00 H new ATOM 0 HD1 HIS A 592 22.594 -7.321 -1.592 1.00 25.00 H new ATOM 0 HD2 HIS A 592 20.294 -4.051 -2.845 1.00 25.00 H new ATOM 0 HE1 HIS A 592 22.529 -7.418 -4.133 1.00 25.00 H new ATOM 121 N GLU A 593 21.032 -7.957 1.397 1.00 25.00 N ATOM 122 CA GLU A 593 21.256 -9.404 1.544 1.00 25.00 C ATOM 123 C GLU A 593 20.231 -10.041 2.496 1.00 25.00 C ATOM 124 O GLU A 593 20.218 -11.262 2.685 1.00 25.00 O ATOM 125 CB GLU A 593 22.682 -9.674 2.048 1.00 25.00 C ATOM 126 CG GLU A 593 23.786 -9.126 1.148 1.00 25.00 C ATOM 127 CD GLU A 593 23.585 -9.456 -0.323 1.00 25.00 C ATOM 128 OE1 GLU A 593 23.522 -10.657 -0.660 1.00 25.00 O ATOM 129 OE2 GLU A 593 23.494 -8.512 -1.137 1.00 25.00 O ATOM 0 H GLU A 593 21.527 -7.388 2.084 1.00 25.00 H new ATOM 0 HA GLU A 593 21.130 -9.860 0.562 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.791 -9.239 3.041 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.818 -10.750 2.155 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.837 -8.044 1.266 1.00 25.00 H new ATOM 0 HG3 GLU A 593 24.745 -9.528 1.475 1.00 25.00 H new ATOM 136 N HIS A 594 19.369 -9.197 3.078 1.00 25.00 N ATOM 137 CA HIS A 594 18.360 -9.633 4.045 1.00 25.00 C ATOM 138 C HIS A 594 16.956 -9.694 3.410 1.00 25.00 C ATOM 139 O HIS A 594 16.107 -10.464 3.869 1.00 25.00 O ATOM 140 CB HIS A 594 18.397 -8.680 5.261 1.00 25.00 C ATOM 141 CG HIS A 594 19.316 -9.079 6.382 1.00 25.00 C ATOM 142 ND1 HIS A 594 20.667 -9.136 6.423 1.00 25.00 N flip ATOM 143 CD2 HIS A 594 18.877 -9.497 7.620 1.00 25.00 C flip ATOM 144 CE1 HIS A 594 21.018 -9.582 7.672 1.00 25.00 C flip ATOM 145 NE2 HIS A 594 19.920 -9.793 8.376 1.00 25.00 N flip ATOM 0 H HIS A 594 19.354 -8.195 2.890 1.00 25.00 H new ATOM 0 HA HIS A 594 18.588 -10.646 4.376 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.690 -7.689 4.913 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.386 -8.592 5.660 1.00 25.00 H new ATOM 0 HD1 HIS A 594 21.306 -8.893 5.666 1.00 25.00 H new ATOM 0 HD2 HIS A 594 17.843 -9.571 7.924 1.00 25.00 H new ATOM 0 HE1 HIS A 594 22.028 -9.736 8.023 1.00 25.00 H new ATOM 154 N VAL A 595 16.720 -8.893 2.357 1.00 25.00 N ATOM 155 CA VAL A 595 15.416 -8.875 1.676 1.00 25.00 C ATOM 156 C VAL A 595 15.308 -10.068 0.712 1.00 25.00 C ATOM 157 O VAL A 595 16.186 -10.281 -0.130 1.00 25.00 O ATOM 158 CB VAL A 595 15.156 -7.523 0.924 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.041 -7.639 -0.121 1.00 25.00 C ATOM 160 CG2 VAL A 595 14.791 -6.426 1.912 1.00 25.00 C ATOM 0 H VAL A 595 17.410 -8.254 1.962 1.00 25.00 H new ATOM 0 HA VAL A 595 14.644 -8.963 2.440 1.00 25.00 H new ATOM 0 HB VAL A 595 16.083 -7.273 0.407 1.00 25.00 H new ATOM 0 HG11 VAL A 595 13.901 -6.676 -0.612 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.315 -8.389 -0.863 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.113 -7.935 0.368 1.00 25.00 H new ATOM 0 HG21 VAL A 595 14.614 -5.495 1.373 1.00 25.00 H new ATOM 0 HG22 VAL A 595 13.888 -6.709 2.453 1.00 25.00 H new ATOM 0 HG23 VAL A 595 15.609 -6.286 2.619 1.00 25.00 H new ATOM 170 N THR A 596 14.223 -10.829 0.859 1.00 25.00 N ATOM 171 CA THR A 596 13.966 -12.006 0.026 1.00 25.00 C ATOM 172 C THR A 596 12.823 -11.753 -0.957 1.00 25.00 C ATOM 173 O THR A 596 12.240 -10.665 -0.983 1.00 25.00 O ATOM 174 CB THR A 596 13.613 -13.248 0.884 1.00 25.00 C ATOM 175 OG1 THR A 596 12.347 -13.064 1.531 1.00 25.00 O ATOM 176 CG2 THR A 596 14.681 -13.533 1.925 1.00 25.00 C ATOM 0 H THR A 596 13.500 -10.649 1.555 1.00 25.00 H new ATOM 0 HA THR A 596 14.886 -12.199 -0.525 1.00 25.00 H new ATOM 0 HB THR A 596 13.558 -14.104 0.211 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.277 -13.676 2.293 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.398 -14.410 2.506 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.633 -13.719 1.428 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.780 -12.674 2.589 1.00 25.00 H new ATOM 184 N GLN A 597 12.516 -12.774 -1.767 1.00 25.00 N ATOM 185 CA GLN A 597 11.328 -12.770 -2.623 1.00 25.00 C ATOM 186 C GLN A 597 10.076 -13.094 -1.797 1.00 25.00 C ATOM 187 O GLN A 597 8.950 -12.822 -2.225 1.00 25.00 O ATOM 188 CB GLN A 597 11.475 -13.779 -3.779 1.00 25.00 C ATOM 189 CG GLN A 597 12.569 -13.442 -4.800 1.00 25.00 C ATOM 190 CD GLN A 597 12.710 -14.440 -5.955 1.00 25.00 C ATOM 191 OE1 GLN A 597 11.805 -15.417 -6.037 1.00 25.00 O flip ATOM 192 NE2 GLN A 597 13.612 -14.312 -6.782 1.00 25.00 N flip ATOM 0 H GLN A 597 13.081 -13.619 -1.846 1.00 25.00 H new ATOM 0 HA GLN A 597 11.224 -11.773 -3.051 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.683 -14.763 -3.358 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.521 -13.851 -4.302 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.365 -12.455 -5.216 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.524 -13.377 -4.278 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.287 -13.553 -6.688 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.685 -14.965 -7.562 1.00 25.00 H new ATOM 201 N ASP A 598 10.293 -13.679 -0.604 1.00 25.00 N ATOM 202 CA ASP A 598 9.203 -14.016 0.317 1.00 25.00 C ATOM 203 C ASP A 598 8.828 -12.810 1.195 1.00 25.00 C ATOM 204 O ASP A 598 7.677 -12.698 1.627 1.00 25.00 O ATOM 205 CB ASP A 598 9.605 -15.221 1.186 1.00 25.00 C ATOM 206 CG ASP A 598 9.854 -16.488 0.380 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.040 -16.789 -0.518 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.861 -17.175 0.652 1.00 25.00 O ATOM 0 H ASP A 598 11.220 -13.927 -0.259 1.00 25.00 H new ATOM 0 HA ASP A 598 8.324 -14.283 -0.269 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.506 -14.972 1.746 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.819 -15.412 1.916 1.00 25.00 H new ATOM 213 N LEU A 599 9.801 -11.910 1.457 1.00 25.00 N ATOM 214 CA LEU A 599 9.521 -10.656 2.173 1.00 25.00 C ATOM 215 C LEU A 599 8.678 -9.712 1.318 1.00 25.00 C ATOM 216 O LEU A 599 7.646 -9.228 1.773 1.00 25.00 O ATOM 217 CB LEU A 599 10.818 -9.936 2.617 1.00 25.00 C ATOM 218 CG LEU A 599 11.489 -10.438 3.914 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.852 -9.791 4.060 1.00 25.00 C ATOM 220 CD2 LEU A 599 10.676 -10.117 5.164 1.00 25.00 C ATOM 0 H LEU A 599 10.777 -12.031 1.185 1.00 25.00 H new ATOM 0 HA LEU A 599 8.961 -10.927 3.068 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.544 -10.015 1.808 1.00 25.00 H new ATOM 0 HB3 LEU A 599 10.592 -8.877 2.740 1.00 25.00 H new ATOM 0 HG LEU A 599 11.566 -11.522 3.829 1.00 25.00 H new ATOM 0 HD11 LEU A 599 13.326 -10.145 4.975 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.473 -10.054 3.204 1.00 25.00 H new ATOM 0 HD13 LEU A 599 12.738 -8.708 4.106 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.197 -10.494 6.044 1.00 25.00 H new ATOM 0 HD22 LEU A 599 10.552 -9.037 5.250 1.00 25.00 H new ATOM 0 HD23 LEU A 599 9.696 -10.590 5.092 1.00 25.00 H new ATOM 232 N ARG A 600 9.092 -9.504 0.055 1.00 25.00 N ATOM 233 CA ARG A 600 8.420 -8.555 -0.855 1.00 25.00 C ATOM 234 C ARG A 600 6.920 -8.871 -1.043 1.00 25.00 C ATOM 235 O ARG A 600 6.139 -7.997 -1.422 1.00 25.00 O ATOM 236 CB ARG A 600 9.162 -8.490 -2.219 1.00 25.00 C ATOM 237 CG ARG A 600 10.547 -7.825 -2.208 1.00 25.00 C ATOM 238 CD ARG A 600 11.226 -7.863 -3.575 1.00 25.00 C ATOM 239 NE ARG A 600 12.518 -7.169 -3.563 1.00 25.00 N ATOM 240 CZ ARG A 600 13.424 -7.217 -4.553 1.00 25.00 C ATOM 241 NH1 ARG A 600 13.202 -7.926 -5.659 1.00 25.00 N ATOM 242 NH2 ARG A 600 14.562 -6.547 -4.430 1.00 25.00 N ATOM 0 H ARG A 600 9.892 -9.982 -0.361 1.00 25.00 H new ATOM 0 HA ARG A 600 8.467 -7.572 -0.387 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.273 -9.506 -2.597 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.530 -7.954 -2.927 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.446 -6.789 -1.885 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.181 -8.327 -1.477 1.00 25.00 H new ATOM 0 HD2 ARG A 600 11.373 -8.899 -3.879 1.00 25.00 H new ATOM 0 HD3 ARG A 600 10.574 -7.403 -4.317 1.00 25.00 H new ATOM 0 HE ARG A 600 12.745 -6.608 -2.742 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.331 -8.446 -5.765 1.00 25.00 H new ATOM 0 HH12 ARG A 600 13.903 -7.949 -6.399 1.00 25.00 H new ATOM 0 HH21 ARG A 600 14.744 -6.001 -3.588 1.00 25.00 H new ATOM 0 HH22 ARG A 600 15.256 -6.578 -5.177 1.00 25.00 H new ATOM 256 N SER A 601 6.543 -10.128 -0.774 1.00 25.00 N ATOM 257 CA SER A 601 5.146 -10.564 -0.846 1.00 25.00 C ATOM 258 C SER A 601 4.394 -10.250 0.461 1.00 25.00 C ATOM 259 O SER A 601 3.193 -9.969 0.437 1.00 25.00 O ATOM 260 CB SER A 601 5.093 -12.071 -1.137 1.00 25.00 C ATOM 261 OG SER A 601 5.727 -12.820 -0.112 1.00 25.00 O ATOM 0 H SER A 601 7.194 -10.865 -0.502 1.00 25.00 H new ATOM 0 HA SER A 601 4.656 -10.018 -1.652 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.055 -12.388 -1.232 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.577 -12.276 -2.092 1.00 25.00 H new ATOM 0 HG SER A 601 6.283 -12.224 0.433 1.00 25.00 H new ATOM 267 N HIS A 602 5.119 -10.304 1.593 1.00 25.00 N ATOM 268 CA HIS A 602 4.554 -9.997 2.919 1.00 25.00 C ATOM 269 C HIS A 602 4.532 -8.478 3.170 1.00 25.00 C ATOM 270 O HIS A 602 3.784 -7.991 4.019 1.00 25.00 O ATOM 271 CB HIS A 602 5.372 -10.716 4.008 1.00 25.00 C ATOM 272 CG HIS A 602 5.205 -12.211 4.027 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.081 -13.206 3.746 1.00 25.00 N flip ATOM 274 CD2 HIS A 602 4.019 -12.831 4.362 1.00 25.00 C flip ATOM 275 CE1 HIS A 602 5.417 -14.395 3.917 1.00 25.00 C flip ATOM 276 NE2 HIS A 602 4.175 -14.142 4.288 1.00 25.00 N flip ATOM 0 H HIS A 602 6.106 -10.560 1.615 1.00 25.00 H new ATOM 0 HA HIS A 602 3.524 -10.353 2.953 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.427 -10.483 3.866 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.086 -10.318 4.982 1.00 25.00 H new ATOM 0 HD1 HIS A 602 7.054 -13.092 3.460 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.106 -12.325 4.641 1.00 25.00 H new ATOM 0 HE1 HIS A 602 5.841 -15.378 3.772 1.00 25.00 H new ATOM 285 N LEU A 603 5.366 -7.754 2.412 1.00 25.00 N ATOM 286 CA LEU A 603 5.432 -6.282 2.441 1.00 25.00 C ATOM 287 C LEU A 603 4.217 -5.678 1.722 1.00 25.00 C ATOM 288 O LEU A 603 3.726 -4.608 2.089 1.00 25.00 O ATOM 289 CB LEU A 603 6.737 -5.832 1.741 1.00 25.00 C ATOM 290 CG LEU A 603 8.052 -5.712 2.585 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.222 -5.269 1.740 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.944 -4.774 3.782 1.00 25.00 C ATOM 0 H LEU A 603 6.022 -8.175 1.754 1.00 25.00 H new ATOM 0 HA LEU A 603 5.424 -5.936 3.475 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.931 -6.531 0.927 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.548 -4.859 1.287 1.00 25.00 H new ATOM 0 HG LEU A 603 8.216 -6.721 2.965 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.114 -5.198 2.362 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.391 -5.994 0.944 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.006 -4.294 1.302 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.896 -4.748 4.311 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.694 -3.771 3.437 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.164 -5.131 4.455 1.00 25.00 H new ATOM 304 N VAL A 604 3.758 -6.398 0.691 1.00 25.00 N ATOM 305 CA VAL A 604 2.572 -6.053 -0.089 1.00 25.00 C ATOM 306 C VAL A 604 1.299 -6.552 0.624 1.00 25.00 C ATOM 307 O VAL A 604 0.247 -5.917 0.539 1.00 25.00 O ATOM 308 CB VAL A 604 2.723 -6.673 -1.511 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.506 -6.449 -2.399 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.952 -6.089 -2.189 1.00 25.00 C ATOM 0 H VAL A 604 4.213 -7.254 0.372 1.00 25.00 H new ATOM 0 HA VAL A 604 2.478 -4.971 -0.184 1.00 25.00 H new ATOM 0 HB VAL A 604 2.824 -7.750 -1.376 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.678 -6.906 -3.374 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.629 -6.901 -1.936 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.339 -5.379 -2.524 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.059 -6.522 -3.184 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.842 -5.008 -2.274 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.838 -6.318 -1.597 1.00 25.00 H new ATOM 320 N HIS A 605 1.423 -7.689 1.331 1.00 25.00 N ATOM 321 CA HIS A 605 0.337 -8.228 2.165 1.00 25.00 C ATOM 322 C HIS A 605 0.196 -7.401 3.455 1.00 25.00 C ATOM 323 O HIS A 605 -0.826 -7.472 4.143 1.00 25.00 O ATOM 324 CB HIS A 605 0.602 -9.707 2.492 1.00 25.00 C ATOM 325 CG HIS A 605 -0.081 -10.679 1.567 1.00 25.00 C ATOM 326 ND1 HIS A 605 0.270 -11.129 0.336 1.00 25.00 N flip ATOM 327 CD2 HIS A 605 -1.263 -11.316 1.882 1.00 25.00 C flip ATOM 328 CE1 HIS A 605 -0.698 -12.020 -0.061 1.00 25.00 C flip ATOM 329 NE2 HIS A 605 -1.610 -12.115 0.888 1.00 25.00 N flip ATOM 0 H HIS A 605 2.271 -8.255 1.340 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.599 -8.162 1.611 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.677 -9.887 2.460 1.00 25.00 H new ATOM 0 HB3 HIS A 605 0.276 -9.905 3.513 1.00 25.00 H new ATOM 0 HD1 HIS A 605 1.097 -10.857 -0.195 1.00 25.00 H new ATOM 0 HD2 HIS A 605 -1.819 -11.183 2.798 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -0.710 -12.556 -0.999 1.00 25.00 H new ATOM 338 N LYS A 606 1.247 -6.623 3.757 1.00 25.00 N ATOM 339 CA LYS A 606 1.263 -5.682 4.881 1.00 25.00 C ATOM 340 C LYS A 606 0.604 -4.368 4.443 1.00 25.00 C ATOM 341 O LYS A 606 0.087 -3.601 5.258 1.00 25.00 O ATOM 342 CB LYS A 606 2.724 -5.427 5.290 1.00 25.00 C ATOM 343 CG LYS A 606 2.921 -4.453 6.444 1.00 25.00 C ATOM 344 CD LYS A 606 4.394 -4.323 6.788 1.00 25.00 C ATOM 345 CE LYS A 606 4.607 -3.410 7.971 1.00 25.00 C ATOM 346 NZ LYS A 606 6.047 -3.272 8.321 1.00 25.00 N ATOM 0 H LYS A 606 2.115 -6.632 3.222 1.00 25.00 H new ATOM 0 HA LYS A 606 0.714 -6.092 5.729 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.179 -6.380 5.560 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.265 -5.050 4.422 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.517 -3.477 6.176 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.367 -4.798 7.317 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.806 -5.308 7.008 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.937 -3.936 5.926 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.193 -2.427 7.748 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.061 -3.798 8.831 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.146 -2.637 9.138 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.437 -4.206 8.559 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.565 -2.877 7.510 1.00 25.00 H new ATOM 360 N LEU A 607 0.646 -4.148 3.129 1.00 25.00 N ATOM 361 CA LEU A 607 0.135 -2.949 2.488 1.00 25.00 C ATOM 362 C LEU A 607 -1.357 -3.072 2.168 1.00 25.00 C ATOM 363 O LEU A 607 -2.112 -2.120 2.356 1.00 25.00 O ATOM 364 CB LEU A 607 0.956 -2.719 1.220 1.00 25.00 C ATOM 365 CG LEU A 607 2.119 -1.723 1.343 1.00 25.00 C ATOM 366 CD1 LEU A 607 3.173 -2.035 0.306 1.00 25.00 C ATOM 367 CD2 LEU A 607 1.647 -0.284 1.159 1.00 25.00 C ATOM 0 H LEU A 607 1.046 -4.817 2.471 1.00 25.00 H new ATOM 0 HA LEU A 607 0.231 -2.098 3.162 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.358 -3.678 0.892 1.00 25.00 H new ATOM 0 HB3 LEU A 607 0.285 -2.369 0.435 1.00 25.00 H new ATOM 0 HG LEU A 607 2.536 -1.823 2.345 1.00 25.00 H new ATOM 0 HD11 LEU A 607 3.995 -1.325 0.398 1.00 25.00 H new ATOM 0 HD12 LEU A 607 3.548 -3.047 0.461 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.737 -1.958 -0.690 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.497 0.392 1.253 1.00 25.00 H new ATOM 0 HD22 LEU A 607 1.200 -0.171 0.171 1.00 25.00 H new ATOM 0 HD23 LEU A 607 0.906 -0.044 1.922 1.00 25.00 H new ATOM 379 N VAL A 608 -1.772 -4.265 1.718 1.00 25.00 N ATOM 380 CA VAL A 608 -3.171 -4.540 1.347 1.00 25.00 C ATOM 381 C VAL A 608 -4.074 -4.655 2.596 1.00 25.00 C ATOM 382 O VAL A 608 -5.281 -4.415 2.508 1.00 25.00 O ATOM 383 CB VAL A 608 -3.269 -5.837 0.470 1.00 25.00 C ATOM 384 CG1 VAL A 608 -3.197 -7.114 1.307 1.00 25.00 C ATOM 385 CG2 VAL A 608 -4.557 -5.845 -0.349 1.00 25.00 C ATOM 0 H VAL A 608 -1.151 -5.065 1.601 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.528 -3.697 0.756 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.408 -5.821 -0.198 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -3.269 -7.983 0.652 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -2.250 -7.143 1.845 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -4.021 -7.128 2.021 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -4.601 -6.754 -0.948 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -5.415 -5.811 0.322 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -4.576 -4.976 -1.006 1.00 25.00 H new ATOM 395 N GLN A 609 -3.480 -4.997 3.750 1.00 25.00 N ATOM 396 CA GLN A 609 -4.245 -5.173 4.996 1.00 25.00 C ATOM 397 C GLN A 609 -4.522 -3.829 5.682 1.00 25.00 C ATOM 398 O GLN A 609 -5.510 -3.686 6.410 1.00 25.00 O ATOM 399 CB GLN A 609 -3.543 -6.161 5.956 1.00 25.00 C ATOM 400 CG GLN A 609 -3.557 -7.614 5.493 1.00 25.00 C ATOM 401 CD GLN A 609 -4.952 -8.192 5.232 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.880 -7.949 6.003 1.00 25.00 O ATOM 403 NE2 GLN A 609 -5.105 -8.981 4.168 1.00 25.00 N ATOM 0 H GLN A 609 -2.477 -5.157 3.847 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.208 -5.606 4.726 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.508 -5.845 6.088 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.022 -6.100 6.933 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -2.969 -7.695 4.579 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.061 -8.226 6.247 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.315 -9.162 3.549 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -6.012 -9.404 3.973 1.00 25.00 H new ATOM 412 N ALA A 610 -3.637 -2.852 5.435 1.00 25.00 N ATOM 413 CA ALA A 610 -3.795 -1.495 5.954 1.00 25.00 C ATOM 414 C ALA A 610 -4.772 -0.676 5.103 1.00 25.00 C ATOM 415 O ALA A 610 -5.514 0.156 5.631 1.00 25.00 O ATOM 416 CB ALA A 610 -2.443 -0.811 6.001 1.00 25.00 C ATOM 0 H ALA A 610 -2.797 -2.984 4.872 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.210 -1.560 6.960 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.561 0.201 6.388 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.773 -1.373 6.652 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -2.022 -0.769 4.997 1.00 25.00 H new ATOM 422 N ILE A 611 -4.772 -0.934 3.785 1.00 25.00 N ATOM 423 CA ILE A 611 -5.661 -0.237 2.845 1.00 25.00 C ATOM 424 C ILE A 611 -7.089 -0.812 2.947 1.00 25.00 C ATOM 425 O ILE A 611 -8.057 -0.056 3.059 1.00 25.00 O ATOM 426 CB ILE A 611 -5.118 -0.313 1.373 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.762 0.413 1.271 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.112 0.309 0.390 1.00 25.00 C ATOM 429 CD1 ILE A 611 -2.989 0.177 -0.023 1.00 25.00 C ATOM 0 H ILE A 611 -4.162 -1.624 3.346 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.690 0.818 3.118 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.987 -1.364 1.114 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.933 1.484 1.382 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.138 0.101 2.109 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.712 0.244 -0.622 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.059 -0.228 0.441 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.274 1.355 0.649 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.051 0.732 0.007 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.778 -0.887 -0.132 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.585 0.517 -0.870 1.00 25.00 H new ATOM 441 N PHE A 612 -7.201 -2.150 2.901 1.00 25.00 N ATOM 442 CA PHE A 612 -8.465 -2.837 3.143 1.00 25.00 C ATOM 443 C PHE A 612 -8.223 -4.139 3.942 1.00 25.00 C ATOM 444 O PHE A 612 -7.583 -5.060 3.426 1.00 25.00 O ATOM 445 CB PHE A 612 -9.178 -3.135 1.804 1.00 25.00 C ATOM 446 CG PHE A 612 -10.566 -3.709 1.950 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.646 -2.868 2.162 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.786 -5.073 1.869 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.922 -3.378 2.292 1.00 25.00 C ATOM 450 CE2 PHE A 612 -12.061 -5.590 1.997 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.131 -4.742 2.209 1.00 25.00 C ATOM 0 H PHE A 612 -6.421 -2.774 2.696 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.111 -2.189 3.736 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.238 -2.213 1.226 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.568 -3.832 1.229 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.488 -1.802 2.226 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.953 -5.740 1.704 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.756 -2.712 2.458 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.221 -6.656 1.931 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.128 -5.144 2.310 1.00 25.00 H new ATOM 461 N PRO A 613 -8.726 -4.249 5.220 1.00 25.00 N ATOM 462 CA PRO A 613 -8.661 -5.511 5.992 1.00 25.00 C ATOM 463 C PRO A 613 -9.472 -6.634 5.337 1.00 25.00 C ATOM 464 O PRO A 613 -10.562 -6.391 4.810 1.00 25.00 O ATOM 465 CB PRO A 613 -9.264 -5.146 7.357 1.00 25.00 C ATOM 466 CG PRO A 613 -9.057 -3.682 7.499 1.00 25.00 C ATOM 467 CD PRO A 613 -9.354 -3.173 6.024 1.00 25.00 C ATOM 0 HA PRO A 613 -7.640 -5.888 6.056 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -10.323 -5.399 7.399 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -8.773 -5.692 8.162 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -9.736 -3.241 8.229 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.044 -3.441 7.820 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -10.422 -3.081 5.827 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.909 -2.198 5.827 1.00 25.00 H new ATOM 475 N THR A 614 -8.933 -7.860 5.379 1.00 25.00 N ATOM 476 CA THR A 614 -9.554 -9.007 4.718 1.00 25.00 C ATOM 477 C THR A 614 -10.539 -9.757 5.626 1.00 25.00 C ATOM 478 O THR A 614 -10.135 -10.356 6.630 1.00 25.00 O ATOM 479 CB THR A 614 -8.524 -10.016 4.184 1.00 25.00 C ATOM 480 OG1 THR A 614 -7.540 -9.361 3.371 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.205 -11.130 3.408 1.00 25.00 C ATOM 0 H THR A 614 -8.065 -8.079 5.867 1.00 25.00 H new ATOM 0 HA THR A 614 -10.099 -8.573 3.880 1.00 25.00 H new ATOM 0 HB THR A 614 -8.017 -10.461 5.040 1.00 25.00 H new ATOM 0 HG1 THR A 614 -7.446 -9.840 2.521 1.00 25.00 H new ATOM 0 HG21 THR A 614 -8.454 -11.830 3.041 1.00 25.00 H new ATOM 0 HG22 THR A 614 -9.902 -11.655 4.061 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.748 -10.706 2.564 1.00 25.00 H new ATOM 489 N PRO A 615 -11.863 -9.718 5.285 1.00 25.00 N ATOM 490 CA PRO A 615 -12.892 -10.583 5.905 1.00 25.00 C ATOM 491 C PRO A 615 -12.644 -12.070 5.645 1.00 25.00 C ATOM 492 O PRO A 615 -12.608 -12.881 6.573 1.00 25.00 O ATOM 493 CB PRO A 615 -14.183 -10.160 5.201 1.00 25.00 C ATOM 494 CG PRO A 615 -13.969 -8.738 4.838 1.00 25.00 C ATOM 495 CD PRO A 615 -12.477 -8.790 4.307 1.00 25.00 C ATOM 0 HA PRO A 615 -12.906 -10.468 6.989 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -14.370 -10.770 4.317 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -15.047 -10.275 5.856 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -14.668 -8.396 4.075 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -14.081 -8.072 5.693 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.415 -9.166 3.286 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -12.002 -7.809 4.314 1.00 25.00 H new ATOM 503 N ASP A 616 -12.485 -12.398 4.360 1.00 25.00 N ATOM 504 CA ASP A 616 -12.254 -13.773 3.915 1.00 25.00 C ATOM 505 C ASP A 616 -10.994 -13.866 3.044 1.00 25.00 C ATOM 506 O ASP A 616 -10.712 -12.963 2.251 1.00 25.00 O ATOM 507 CB ASP A 616 -13.473 -14.291 3.136 1.00 25.00 C ATOM 508 CG ASP A 616 -13.530 -15.807 3.030 1.00 25.00 C ATOM 509 OD1 ASP A 616 -12.608 -16.398 2.434 1.00 25.00 O ATOM 510 OD2 ASP A 616 -14.499 -16.401 3.548 1.00 25.00 O ATOM 0 H ASP A 616 -12.513 -11.718 3.600 1.00 25.00 H new ATOM 0 HA ASP A 616 -12.105 -14.394 4.798 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -14.382 -13.935 3.621 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.460 -13.865 2.133 1.00 25.00 H new ATOM 515 N PRO A 617 -10.212 -14.982 3.195 1.00 25.00 N ATOM 516 CA PRO A 617 -9.034 -15.289 2.344 1.00 25.00 C ATOM 517 C PRO A 617 -9.354 -15.376 0.839 1.00 25.00 C ATOM 518 O PRO A 617 -8.440 -15.395 0.008 1.00 25.00 O ATOM 519 CB PRO A 617 -8.577 -16.667 2.861 1.00 25.00 C ATOM 520 CG PRO A 617 -9.129 -16.764 4.245 1.00 25.00 C ATOM 521 CD PRO A 617 -10.395 -16.024 4.232 1.00 25.00 C ATOM 0 HA PRO A 617 -8.286 -14.499 2.416 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -8.954 -17.471 2.229 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -7.490 -16.747 2.863 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -9.289 -17.804 4.529 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -8.437 -16.338 4.971 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -11.233 -16.678 3.992 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -10.605 -15.581 5.206 1.00 25.00 H new ATOM 529 N ALA A 618 -10.655 -15.434 0.506 1.00 25.00 N ATOM 530 CA ALA A 618 -11.114 -15.503 -0.888 1.00 25.00 C ATOM 531 C ALA A 618 -11.176 -14.118 -1.544 1.00 25.00 C ATOM 532 O ALA A 618 -11.184 -14.013 -2.775 1.00 25.00 O ATOM 533 CB ALA A 618 -12.476 -16.182 -0.962 1.00 25.00 C ATOM 0 H ALA A 618 -11.411 -15.434 1.191 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.385 -16.094 -1.442 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -12.804 -16.227 -2.000 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.401 -17.193 -0.561 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.199 -15.613 -0.377 1.00 25.00 H new ATOM 539 N ALA A 619 -11.219 -13.057 -0.715 1.00 25.00 N ATOM 540 CA ALA A 619 -11.197 -11.664 -1.206 1.00 25.00 C ATOM 541 C ALA A 619 -9.865 -11.300 -1.881 1.00 25.00 C ATOM 542 O ALA A 619 -9.795 -10.326 -2.638 1.00 25.00 O ATOM 543 CB ALA A 619 -11.467 -10.697 -0.064 1.00 25.00 C ATOM 0 H ALA A 619 -11.269 -13.138 0.301 1.00 25.00 H new ATOM 0 HA ALA A 619 -11.983 -11.582 -1.957 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.448 -9.674 -0.441 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.446 -10.907 0.366 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.701 -10.816 0.702 1.00 25.00 H new ATOM 549 N LEU A 620 -8.819 -12.093 -1.606 1.00 25.00 N ATOM 550 CA LEU A 620 -7.482 -11.855 -2.152 1.00 25.00 C ATOM 551 C LEU A 620 -7.352 -12.340 -3.608 1.00 25.00 C ATOM 552 O LEU A 620 -6.376 -12.012 -4.290 1.00 25.00 O ATOM 553 CB LEU A 620 -6.428 -12.553 -1.277 1.00 25.00 C ATOM 554 CG LEU A 620 -6.297 -12.046 0.172 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.336 -12.929 0.951 1.00 25.00 C ATOM 556 CD2 LEU A 620 -5.814 -10.595 0.212 1.00 25.00 C ATOM 0 H LEU A 620 -8.879 -12.912 -1.002 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.316 -10.778 -2.148 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.659 -13.618 -1.247 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.458 -12.451 -1.764 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.284 -12.090 0.632 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.251 -12.561 1.974 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.711 -13.952 0.963 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.355 -12.908 0.475 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -5.732 -10.267 1.248 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -4.839 -10.523 -0.270 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -6.527 -9.960 -0.314 1.00 25.00 H new ATOM 568 N LYS A 621 -8.345 -13.112 -4.069 1.00 25.00 N ATOM 569 CA LYS A 621 -8.353 -13.655 -5.432 1.00 25.00 C ATOM 570 C LYS A 621 -9.379 -12.901 -6.307 1.00 25.00 C ATOM 571 O LYS A 621 -9.732 -13.348 -7.405 1.00 25.00 O ATOM 572 CB LYS A 621 -8.662 -15.170 -5.381 1.00 25.00 C ATOM 573 CG LYS A 621 -7.607 -16.042 -4.685 1.00 25.00 C ATOM 574 CD LYS A 621 -7.973 -17.522 -4.681 1.00 25.00 C ATOM 575 CE LYS A 621 -6.931 -18.328 -3.945 1.00 25.00 C ATOM 576 NZ LYS A 621 -7.285 -19.773 -3.872 1.00 25.00 N ATOM 0 H LYS A 621 -9.158 -13.375 -3.513 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.371 -13.516 -5.884 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -9.616 -15.311 -4.872 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -8.789 -15.531 -6.402 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -6.647 -15.911 -5.185 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -7.481 -15.701 -3.657 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -8.946 -17.660 -4.210 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -8.062 -17.882 -5.706 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -5.968 -18.216 -4.444 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -6.815 -17.933 -2.936 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -6.541 -20.287 -3.358 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -8.191 -19.884 -3.373 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -7.371 -20.158 -4.834 1.00 25.00 H new ATOM 590 N ASP A 622 -9.832 -11.742 -5.808 1.00 25.00 N ATOM 591 CA ASP A 622 -10.845 -10.929 -6.487 1.00 25.00 C ATOM 592 C ASP A 622 -10.193 -9.979 -7.508 1.00 25.00 C ATOM 593 O ASP A 622 -8.983 -9.738 -7.456 1.00 25.00 O ATOM 594 CB ASP A 622 -11.648 -10.144 -5.436 1.00 25.00 C ATOM 595 CG ASP A 622 -12.999 -9.663 -5.946 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.367 -10.028 -7.082 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.682 -8.924 -5.207 1.00 25.00 O ATOM 0 H ASP A 622 -9.507 -11.345 -4.926 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.521 -11.582 -7.038 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.802 -10.775 -4.561 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.063 -9.284 -5.110 1.00 25.00 H new ATOM 602 N ARG A 623 -11.009 -9.443 -8.428 1.00 25.00 N ATOM 603 CA ARG A 623 -10.528 -8.556 -9.497 1.00 25.00 C ATOM 604 C ARG A 623 -10.226 -7.139 -8.966 1.00 25.00 C ATOM 605 O ARG A 623 -9.126 -6.618 -9.176 1.00 25.00 O ATOM 606 CB ARG A 623 -11.570 -8.519 -10.643 1.00 25.00 C ATOM 607 CG ARG A 623 -11.682 -9.799 -11.481 1.00 25.00 C ATOM 608 CD ARG A 623 -11.009 -9.670 -12.849 1.00 25.00 C ATOM 609 NE ARG A 623 -9.541 -9.739 -12.764 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.697 -9.294 -13.707 1.00 25.00 C ATOM 611 NH1 ARG A 623 -9.148 -8.740 -14.832 1.00 25.00 N ATOM 612 NH2 ARG A 623 -7.390 -9.406 -13.521 1.00 25.00 N ATOM 0 H ARG A 623 -12.015 -9.611 -8.452 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.589 -8.952 -9.884 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.548 -8.301 -10.213 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -11.322 -7.692 -11.308 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.230 -10.627 -10.935 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.734 -10.046 -11.620 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -11.369 -10.463 -13.504 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -11.299 -8.724 -13.305 1.00 25.00 H new ATOM 0 HE ARG A 623 -9.136 -10.156 -11.926 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -10.152 -8.648 -14.988 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -8.489 -8.408 -15.537 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.031 -9.829 -12.665 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -6.743 -9.070 -14.234 1.00 25.00 H new ATOM 626 N ARG A 624 -11.210 -6.533 -8.280 1.00 25.00 N ATOM 627 CA ARG A 624 -11.078 -5.174 -7.714 1.00 25.00 C ATOM 628 C ARG A 624 -9.946 -5.070 -6.677 1.00 25.00 C ATOM 629 O ARG A 624 -9.329 -4.012 -6.534 1.00 25.00 O ATOM 630 CB ARG A 624 -12.403 -4.717 -7.073 1.00 25.00 C ATOM 631 CG ARG A 624 -13.559 -4.501 -8.055 1.00 25.00 C ATOM 632 CD ARG A 624 -13.283 -3.380 -9.053 1.00 25.00 C ATOM 633 NE ARG A 624 -13.500 -2.054 -8.460 1.00 25.00 N ATOM 634 CZ ARG A 624 -14.481 -1.209 -8.812 1.00 25.00 C ATOM 635 NH1 ARG A 624 -15.359 -1.524 -9.763 1.00 25.00 N ATOM 636 NH2 ARG A 624 -14.580 -0.035 -8.203 1.00 25.00 N ATOM 0 H ARG A 624 -12.116 -6.966 -8.101 1.00 25.00 H new ATOM 0 HA ARG A 624 -10.826 -4.519 -8.548 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.707 -5.460 -6.336 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.226 -3.786 -6.534 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.747 -5.427 -8.598 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.466 -4.270 -7.497 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -12.255 -3.455 -9.408 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -13.930 -3.500 -9.922 1.00 25.00 H new ATOM 0 HE ARG A 624 -12.858 -1.753 -7.727 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -15.294 -2.423 -10.240 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -16.097 -0.866 -10.014 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -13.914 0.219 -7.474 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -15.322 0.614 -8.464 1.00 25.00 H new ATOM 650 N MET A 625 -9.674 -6.180 -5.972 1.00 25.00 N ATOM 651 CA MET A 625 -8.605 -6.233 -4.963 1.00 25.00 C ATOM 652 C MET A 625 -7.221 -6.241 -5.632 1.00 25.00 C ATOM 653 O MET A 625 -6.295 -5.579 -5.157 1.00 25.00 O ATOM 654 CB MET A 625 -8.787 -7.487 -4.086 1.00 25.00 C ATOM 655 CG MET A 625 -7.774 -7.659 -2.945 1.00 25.00 C ATOM 656 SD MET A 625 -7.861 -6.372 -1.674 1.00 25.00 S ATOM 657 CE MET A 625 -9.285 -6.873 -0.704 1.00 25.00 C ATOM 0 H MET A 625 -10.183 -7.057 -6.084 1.00 25.00 H new ATOM 0 HA MET A 625 -8.668 -5.344 -4.336 1.00 25.00 H new ATOM 0 HB2 MET A 625 -9.789 -7.464 -3.657 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.735 -8.366 -4.728 1.00 25.00 H new ATOM 0 HG2 MET A 625 -7.934 -8.629 -2.475 1.00 25.00 H new ATOM 0 HG3 MET A 625 -6.769 -7.671 -3.366 1.00 25.00 H new ATOM 0 HE1 MET A 625 -9.990 -6.044 -0.638 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.769 -7.725 -1.182 1.00 25.00 H new ATOM 0 HE3 MET A 625 -8.962 -7.155 0.298 1.00 25.00 H new ATOM 667 N GLU A 626 -7.106 -6.990 -6.740 1.00 25.00 N ATOM 668 CA GLU A 626 -5.857 -7.101 -7.505 1.00 25.00 C ATOM 669 C GLU A 626 -5.420 -5.766 -8.137 1.00 25.00 C ATOM 670 O GLU A 626 -4.246 -5.595 -8.479 1.00 25.00 O ATOM 671 CB GLU A 626 -5.978 -8.179 -8.586 1.00 25.00 C ATOM 672 CG GLU A 626 -4.664 -8.483 -9.293 1.00 25.00 C ATOM 673 CD GLU A 626 -4.793 -9.593 -10.318 1.00 25.00 C ATOM 674 OE1 GLU A 626 -5.687 -9.498 -11.186 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.003 -10.558 -10.254 1.00 25.00 O ATOM 0 H GLU A 626 -7.876 -7.534 -7.129 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.084 -7.386 -6.792 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.358 -9.095 -8.133 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.713 -7.860 -9.325 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.304 -7.580 -9.785 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -3.914 -8.763 -8.553 1.00 25.00 H new ATOM 682 N ASN A 627 -6.373 -4.828 -8.282 1.00 25.00 N ATOM 683 CA ASN A 627 -6.113 -3.519 -8.908 1.00 25.00 C ATOM 684 C ASN A 627 -5.202 -2.627 -8.050 1.00 25.00 C ATOM 685 O ASN A 627 -4.308 -1.967 -8.587 1.00 25.00 O ATOM 686 CB ASN A 627 -7.434 -2.789 -9.202 1.00 25.00 C ATOM 687 CG ASN A 627 -8.256 -3.448 -10.302 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.596 -4.246 -11.131 1.00 25.00 O flip ATOM 689 ND2 ASN A 627 -9.469 -3.246 -10.404 1.00 25.00 N flip ATOM 0 H ASN A 627 -7.337 -4.954 -7.972 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.590 -3.717 -9.844 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -8.029 -2.747 -8.289 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -7.216 -1.760 -9.488 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.940 -2.625 -9.746 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -10.001 -3.700 -11.146 1.00 25.00 H new ATOM 696 N LEU A 628 -5.428 -2.607 -6.722 1.00 25.00 N ATOM 697 CA LEU A 628 -4.575 -1.830 -5.812 1.00 25.00 C ATOM 698 C LEU A 628 -3.348 -2.650 -5.384 1.00 25.00 C ATOM 699 O LEU A 628 -2.338 -2.089 -4.954 1.00 25.00 O ATOM 700 CB LEU A 628 -5.382 -1.262 -4.613 1.00 25.00 C ATOM 701 CG LEU A 628 -6.450 -0.187 -4.882 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.184 0.171 -3.599 1.00 25.00 C ATOM 703 CD2 LEU A 628 -5.795 1.050 -5.457 1.00 25.00 C ATOM 0 H LEU A 628 -6.185 -3.114 -6.263 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.198 -0.960 -6.351 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.874 -2.100 -4.119 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.668 -0.847 -3.901 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.171 -0.584 -5.597 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -7.935 0.932 -3.810 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.671 -0.718 -3.198 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.473 0.555 -2.868 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.554 1.809 -5.646 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -5.063 1.437 -4.748 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.295 0.796 -6.392 1.00 25.00 H new ATOM 715 N VAL A 629 -3.461 -3.988 -5.493 1.00 25.00 N ATOM 716 CA VAL A 629 -2.304 -4.901 -5.388 1.00 25.00 C ATOM 717 C VAL A 629 -1.232 -4.487 -6.412 1.00 25.00 C ATOM 718 O VAL A 629 -0.034 -4.630 -6.174 1.00 25.00 O ATOM 719 CB VAL A 629 -2.749 -6.380 -5.640 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.646 -7.241 -6.259 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.244 -7.018 -4.347 1.00 25.00 C ATOM 0 H VAL A 629 -4.348 -4.464 -5.655 1.00 25.00 H new ATOM 0 HA VAL A 629 -1.888 -4.836 -4.382 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.563 -6.337 -6.363 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.017 -8.255 -6.409 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.349 -6.818 -7.219 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -0.785 -7.265 -5.591 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -3.549 -8.046 -4.542 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -2.443 -7.011 -3.608 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.095 -6.453 -3.965 1.00 25.00 H new ATOM 731 N ALA A 630 -1.717 -3.970 -7.543 1.00 25.00 N ATOM 732 CA ALA A 630 -0.877 -3.469 -8.617 1.00 25.00 C ATOM 733 C ALA A 630 -0.318 -2.075 -8.292 1.00 25.00 C ATOM 734 O ALA A 630 0.665 -1.637 -8.897 1.00 25.00 O ATOM 735 CB ALA A 630 -1.682 -3.465 -9.902 1.00 25.00 C ATOM 0 H ALA A 630 -2.716 -3.890 -7.735 1.00 25.00 H new ATOM 0 HA ALA A 630 -0.014 -4.123 -8.737 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -1.063 -3.091 -10.718 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -2.008 -4.480 -10.130 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.554 -2.822 -9.783 1.00 25.00 H new ATOM 741 N TYR A 631 -0.963 -1.388 -7.331 1.00 25.00 N ATOM 742 CA TYR A 631 -0.423 -0.154 -6.745 1.00 25.00 C ATOM 743 C TYR A 631 0.716 -0.488 -5.758 1.00 25.00 C ATOM 744 O TYR A 631 1.752 0.184 -5.750 1.00 25.00 O ATOM 745 CB TYR A 631 -1.559 0.670 -6.050 1.00 25.00 C ATOM 746 CG TYR A 631 -1.092 1.911 -5.291 1.00 25.00 C ATOM 747 CD1 TYR A 631 -0.420 2.937 -5.952 1.00 25.00 C ATOM 748 CD2 TYR A 631 -1.376 2.077 -3.937 1.00 25.00 C ATOM 749 CE1 TYR A 631 -0.046 4.088 -5.282 1.00 25.00 C ATOM 750 CE2 TYR A 631 -0.997 3.221 -3.263 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.145 4.114 -3.881 1.00 25.00 C ATOM 752 OH TYR A 631 0.029 5.369 -3.275 1.00 25.00 O ATOM 0 H TYR A 631 -1.863 -1.671 -6.944 1.00 25.00 H new ATOM 0 HA TYR A 631 -0.009 0.464 -7.542 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.279 0.977 -6.809 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.087 0.016 -5.356 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -0.188 2.832 -7.002 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.902 1.297 -3.406 1.00 25.00 H new ATOM 0 HE1 TYR A 631 0.315 4.949 -5.825 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -1.362 3.415 -2.265 1.00 25.00 H new ATOM 0 HH TYR A 631 -0.060 5.278 -2.303 1.00 25.00 H new ATOM 762 N ALA A 632 0.505 -1.529 -4.940 1.00 25.00 N ATOM 763 CA ALA A 632 1.446 -1.888 -3.873 1.00 25.00 C ATOM 764 C ALA A 632 2.595 -2.762 -4.389 1.00 25.00 C ATOM 765 O ALA A 632 3.671 -2.796 -3.784 1.00 25.00 O ATOM 766 CB ALA A 632 0.721 -2.578 -2.732 1.00 25.00 C ATOM 0 H ALA A 632 -0.311 -2.138 -4.998 1.00 25.00 H new ATOM 0 HA ALA A 632 1.885 -0.962 -3.502 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.435 -2.837 -1.950 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.036 -1.908 -2.324 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.243 -3.485 -3.101 1.00 25.00 H new ATOM 772 N LYS A 633 2.360 -3.469 -5.510 1.00 25.00 N ATOM 773 CA LYS A 633 3.404 -4.258 -6.182 1.00 25.00 C ATOM 774 C LYS A 633 4.484 -3.349 -6.794 1.00 25.00 C ATOM 775 O LYS A 633 5.630 -3.764 -6.991 1.00 25.00 O ATOM 776 CB LYS A 633 2.790 -5.120 -7.293 1.00 25.00 C ATOM 777 CG LYS A 633 2.304 -6.496 -6.839 1.00 25.00 C ATOM 778 CD LYS A 633 1.424 -7.167 -7.889 1.00 25.00 C ATOM 779 CE LYS A 633 1.590 -8.684 -7.900 1.00 25.00 C ATOM 780 NZ LYS A 633 0.755 -9.338 -8.949 1.00 25.00 N ATOM 0 H LYS A 633 1.450 -3.508 -5.970 1.00 25.00 H new ATOM 0 HA LYS A 633 3.865 -4.898 -5.430 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.951 -4.580 -7.731 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.530 -5.253 -8.082 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.163 -7.132 -6.626 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.745 -6.394 -5.909 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.380 -6.919 -7.697 1.00 25.00 H new ATOM 0 HD3 LYS A 633 1.670 -6.770 -8.874 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.638 -8.931 -8.067 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.320 -9.084 -6.923 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.901 -10.367 -8.918 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.248 -9.126 -8.776 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 1.029 -8.978 -9.885 1.00 25.00 H new ATOM 794 N LYS A 634 4.080 -2.103 -7.081 1.00 25.00 N ATOM 795 CA LYS A 634 4.921 -1.113 -7.759 1.00 25.00 C ATOM 796 C LYS A 634 5.819 -0.340 -6.775 1.00 25.00 C ATOM 797 O LYS A 634 6.965 -0.021 -7.109 1.00 25.00 O ATOM 798 CB LYS A 634 4.008 -0.141 -8.539 1.00 25.00 C ATOM 799 CG LYS A 634 4.741 0.887 -9.415 1.00 25.00 C ATOM 800 CD LYS A 634 3.779 1.855 -10.111 1.00 25.00 C ATOM 801 CE LYS A 634 4.493 2.779 -11.098 1.00 25.00 C ATOM 802 NZ LYS A 634 5.449 3.693 -10.412 1.00 25.00 N ATOM 0 H LYS A 634 3.151 -1.754 -6.846 1.00 25.00 H new ATOM 0 HA LYS A 634 5.589 -1.636 -8.444 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.341 -0.725 -9.173 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.382 0.395 -7.826 1.00 25.00 H new ATOM 0 HG2 LYS A 634 5.439 1.454 -8.798 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.332 0.364 -10.167 1.00 25.00 H new ATOM 0 HD2 LYS A 634 3.014 1.286 -10.639 1.00 25.00 H new ATOM 0 HD3 LYS A 634 3.267 2.457 -9.360 1.00 25.00 H new ATOM 0 HE2 LYS A 634 5.029 2.179 -11.834 1.00 25.00 H new ATOM 0 HE3 LYS A 634 3.755 3.368 -11.643 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 5.887 4.326 -11.112 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 4.940 4.259 -9.704 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 6.188 3.133 -9.941 1.00 25.00 H new ATOM 816 N VAL A 635 5.298 -0.048 -5.573 1.00 25.00 N ATOM 817 CA VAL A 635 5.962 0.889 -4.649 1.00 25.00 C ATOM 818 C VAL A 635 7.268 0.339 -4.053 1.00 25.00 C ATOM 819 O VAL A 635 8.221 1.098 -3.882 1.00 25.00 O ATOM 820 CB VAL A 635 5.019 1.400 -3.511 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.819 2.123 -2.437 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.884 2.297 -4.017 1.00 25.00 C ATOM 0 H VAL A 635 4.427 -0.443 -5.219 1.00 25.00 H new ATOM 0 HA VAL A 635 6.223 1.743 -5.275 1.00 25.00 H new ATOM 0 HB VAL A 635 4.550 0.513 -3.085 1.00 25.00 H new ATOM 0 HG11 VAL A 635 5.145 2.471 -1.654 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.552 1.440 -2.008 1.00 25.00 H new ATOM 0 HG13 VAL A 635 6.333 2.976 -2.879 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.269 2.615 -3.175 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.305 3.173 -4.511 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.270 1.742 -4.726 1.00 25.00 H new ATOM 832 N GLU A 636 7.318 -0.982 -3.778 1.00 25.00 N ATOM 833 CA GLU A 636 8.495 -1.630 -3.142 1.00 25.00 C ATOM 834 C GLU A 636 9.809 -1.297 -3.874 1.00 25.00 C ATOM 835 O GLU A 636 10.848 -1.097 -3.237 1.00 25.00 O ATOM 836 CB GLU A 636 8.352 -3.163 -3.127 1.00 25.00 C ATOM 837 CG GLU A 636 9.427 -3.929 -2.368 1.00 25.00 C ATOM 838 CD GLU A 636 10.610 -4.245 -3.256 1.00 25.00 C ATOM 839 OE1 GLU A 636 10.393 -4.720 -4.391 1.00 25.00 O ATOM 840 OE2 GLU A 636 11.753 -4.012 -2.816 1.00 25.00 O ATOM 0 H GLU A 636 6.555 -1.627 -3.986 1.00 25.00 H new ATOM 0 HA GLU A 636 8.531 -1.239 -2.125 1.00 25.00 H new ATOM 0 HB2 GLU A 636 7.383 -3.413 -2.695 1.00 25.00 H new ATOM 0 HB3 GLU A 636 8.342 -3.517 -4.158 1.00 25.00 H new ATOM 0 HG2 GLU A 636 9.759 -3.341 -1.512 1.00 25.00 H new ATOM 0 HG3 GLU A 636 9.007 -4.855 -1.975 1.00 25.00 H new ATOM 847 N GLY A 637 9.738 -1.239 -5.218 1.00 25.00 N ATOM 848 CA GLY A 637 10.911 -0.957 -6.049 1.00 25.00 C ATOM 849 C GLY A 637 11.389 0.486 -5.958 1.00 25.00 C ATOM 850 O GLY A 637 12.539 0.783 -6.296 1.00 25.00 O ATOM 0 H GLY A 637 8.877 -1.385 -5.746 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.724 -1.620 -5.752 1.00 25.00 H new ATOM 0 HA3 GLY A 637 10.674 -1.188 -7.088 1.00 25.00 H new ATOM 854 N ASP A 638 10.499 1.378 -5.500 1.00 25.00 N ATOM 855 CA ASP A 638 10.837 2.788 -5.281 1.00 25.00 C ATOM 856 C ASP A 638 11.529 2.971 -3.918 1.00 25.00 C ATOM 857 O ASP A 638 12.205 3.979 -3.690 1.00 25.00 O ATOM 858 CB ASP A 638 9.568 3.652 -5.371 1.00 25.00 C ATOM 859 CG ASP A 638 9.032 3.784 -6.789 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.795 3.508 -7.740 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.852 4.160 -6.944 1.00 25.00 O ATOM 0 H ASP A 638 9.533 1.143 -5.273 1.00 25.00 H new ATOM 0 HA ASP A 638 11.531 3.110 -6.057 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.795 3.218 -4.736 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.784 4.645 -4.977 1.00 25.00 H new ATOM 866 N MET A 639 11.352 1.983 -3.023 1.00 25.00 N ATOM 867 CA MET A 639 12.036 1.967 -1.723 1.00 25.00 C ATOM 868 C MET A 639 13.455 1.401 -1.846 1.00 25.00 C ATOM 869 O MET A 639 14.320 1.684 -1.012 1.00 25.00 O ATOM 870 CB MET A 639 11.261 1.137 -0.694 1.00 25.00 C ATOM 871 CG MET A 639 9.920 1.725 -0.328 1.00 25.00 C ATOM 872 SD MET A 639 8.626 0.487 -0.259 1.00 25.00 S ATOM 873 CE MET A 639 9.524 -0.853 0.491 1.00 25.00 C ATOM 0 H MET A 639 10.738 1.184 -3.180 1.00 25.00 H new ATOM 0 HA MET A 639 12.088 3.002 -1.385 1.00 25.00 H new ATOM 0 HB2 MET A 639 11.112 0.132 -1.089 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.864 1.039 0.209 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.996 2.221 0.639 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.650 2.488 -1.058 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.824 -1.534 0.975 1.00 25.00 H new ATOM 0 HE2 MET A 639 10.082 -1.391 -0.275 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.217 -0.456 1.233 1.00 25.00 H new ATOM 883 N TYR A 640 13.680 0.605 -2.901 1.00 25.00 N ATOM 884 CA TYR A 640 14.960 -0.075 -3.125 1.00 25.00 C ATOM 885 C TYR A 640 16.018 0.895 -3.677 1.00 25.00 C ATOM 886 O TYR A 640 17.210 0.744 -3.402 1.00 25.00 O ATOM 887 CB TYR A 640 14.748 -1.246 -4.097 1.00 25.00 C ATOM 888 CG TYR A 640 16.018 -1.969 -4.509 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.414 -3.132 -3.858 1.00 25.00 C ATOM 890 CD2 TYR A 640 16.809 -1.500 -5.554 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.560 -3.807 -4.233 1.00 25.00 C ATOM 892 CE2 TYR A 640 17.957 -2.170 -5.932 1.00 25.00 C ATOM 893 CZ TYR A 640 18.327 -3.322 -5.269 1.00 25.00 C ATOM 894 OH TYR A 640 19.465 -3.997 -5.646 1.00 25.00 O ATOM 0 H TYR A 640 12.981 0.416 -3.620 1.00 25.00 H new ATOM 0 HA TYR A 640 15.327 -0.453 -2.171 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.071 -1.965 -3.636 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.253 -0.871 -4.993 1.00 25.00 H new ATOM 0 HD1 TYR A 640 15.815 -3.515 -3.045 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.521 -0.600 -6.077 1.00 25.00 H new ATOM 0 HE1 TYR A 640 17.852 -4.709 -3.717 1.00 25.00 H new ATOM 0 HE2 TYR A 640 18.562 -1.793 -6.743 1.00 25.00 H new ATOM 0 HH TYR A 640 19.594 -4.773 -5.062 1.00 25.00 H new ATOM 904 N GLU A 641 15.558 1.886 -4.455 1.00 25.00 N ATOM 905 CA GLU A 641 16.437 2.905 -5.044 1.00 25.00 C ATOM 906 C GLU A 641 16.618 4.112 -4.112 1.00 25.00 C ATOM 907 O GLU A 641 17.639 4.805 -4.180 1.00 25.00 O ATOM 908 CB GLU A 641 15.879 3.384 -6.398 1.00 25.00 C ATOM 909 CG GLU A 641 15.912 2.345 -7.514 1.00 25.00 C ATOM 910 CD GLU A 641 17.317 1.897 -7.884 1.00 25.00 C ATOM 911 OE1 GLU A 641 18.196 2.771 -8.049 1.00 25.00 O ATOM 912 OE2 GLU A 641 17.538 0.674 -8.007 1.00 25.00 O ATOM 0 H GLU A 641 14.573 2.003 -4.692 1.00 25.00 H new ATOM 0 HA GLU A 641 17.411 2.439 -5.193 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.848 3.708 -6.255 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.446 4.258 -6.719 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.331 1.475 -7.207 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.426 2.757 -8.398 1.00 25.00 H new ATOM 919 N SER A 642 15.625 4.349 -3.240 1.00 25.00 N ATOM 920 CA SER A 642 15.598 5.541 -2.383 1.00 25.00 C ATOM 921 C SER A 642 16.182 5.280 -0.989 1.00 25.00 C ATOM 922 O SER A 642 16.891 6.133 -0.446 1.00 25.00 O ATOM 923 CB SER A 642 14.162 6.063 -2.254 1.00 25.00 C ATOM 924 OG SER A 642 13.338 5.132 -1.576 1.00 25.00 O ATOM 0 H SER A 642 14.827 3.726 -3.111 1.00 25.00 H new ATOM 0 HA SER A 642 16.227 6.292 -2.862 1.00 25.00 H new ATOM 0 HB2 SER A 642 14.164 7.011 -1.716 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.753 6.260 -3.245 1.00 25.00 H new ATOM 0 HG SER A 642 12.676 4.766 -2.199 1.00 25.00 H new ATOM 930 N ALA A 643 15.885 4.102 -0.416 1.00 25.00 N ATOM 931 CA ALA A 643 16.327 3.765 0.942 1.00 25.00 C ATOM 932 C ALA A 643 17.691 3.068 0.941 1.00 25.00 C ATOM 933 O ALA A 643 18.013 2.312 0.019 1.00 25.00 O ATOM 934 CB ALA A 643 15.291 2.890 1.633 1.00 25.00 C ATOM 0 H ALA A 643 15.341 3.370 -0.873 1.00 25.00 H new ATOM 0 HA ALA A 643 16.434 4.699 1.493 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.632 2.648 2.639 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.343 3.425 1.690 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.155 1.970 1.065 1.00 25.00 H new ATOM 940 N ASN A 644 18.482 3.339 1.987 1.00 25.00 N ATOM 941 CA ASN A 644 19.817 2.745 2.143 1.00 25.00 C ATOM 942 C ASN A 644 19.906 1.854 3.397 1.00 25.00 C ATOM 943 O ASN A 644 20.920 1.185 3.616 1.00 25.00 O ATOM 944 CB ASN A 644 20.902 3.844 2.188 1.00 25.00 C ATOM 945 CG ASN A 644 20.979 4.683 0.917 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.446 4.216 -0.123 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.505 5.921 0.996 1.00 25.00 N ATOM 0 H ASN A 644 18.218 3.971 2.743 1.00 25.00 H new ATOM 0 HA ASN A 644 19.992 2.111 1.274 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.706 4.501 3.035 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.871 3.378 2.364 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.519 6.526 0.175 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.127 6.267 1.878 1.00 25.00 H new ATOM 954 N SER A 645 18.838 1.853 4.208 1.00 25.00 N ATOM 955 CA SER A 645 18.803 1.089 5.459 1.00 25.00 C ATOM 956 C SER A 645 17.500 0.294 5.578 1.00 25.00 C ATOM 957 O SER A 645 16.530 0.565 4.864 1.00 25.00 O ATOM 958 CB SER A 645 18.950 2.034 6.660 1.00 25.00 C ATOM 959 OG SER A 645 17.795 2.838 6.827 1.00 25.00 O ATOM 0 H SER A 645 17.984 2.376 4.016 1.00 25.00 H new ATOM 0 HA SER A 645 19.636 0.386 5.451 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.124 1.451 7.565 1.00 25.00 H new ATOM 0 HB3 SER A 645 19.822 2.672 6.519 1.00 25.00 H new ATOM 0 HG SER A 645 17.588 2.920 7.782 1.00 25.00 H new ATOM 965 N ARG A 646 17.492 -0.689 6.497 1.00 25.00 N ATOM 966 CA ARG A 646 16.317 -1.543 6.747 1.00 25.00 C ATOM 967 C ARG A 646 15.207 -0.772 7.487 1.00 25.00 C ATOM 968 O ARG A 646 14.024 -1.090 7.337 1.00 25.00 O ATOM 969 CB ARG A 646 16.752 -2.795 7.553 1.00 25.00 C ATOM 970 CG ARG A 646 15.625 -3.763 7.957 1.00 25.00 C ATOM 971 CD ARG A 646 16.098 -4.881 8.884 1.00 25.00 C ATOM 972 NE ARG A 646 14.975 -5.701 9.356 1.00 25.00 N ATOM 973 CZ ARG A 646 14.199 -5.407 10.409 1.00 25.00 C ATOM 974 NH1 ARG A 646 14.390 -4.298 11.121 1.00 25.00 N ATOM 975 NH2 ARG A 646 13.218 -6.233 10.748 1.00 25.00 N ATOM 0 H ARG A 646 18.296 -0.913 7.084 1.00 25.00 H new ATOM 0 HA ARG A 646 15.905 -1.858 5.788 1.00 25.00 H new ATOM 0 HB2 ARG A 646 17.483 -3.347 6.962 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.259 -2.462 8.458 1.00 25.00 H new ATOM 0 HG2 ARG A 646 14.832 -3.202 8.450 1.00 25.00 H new ATOM 0 HG3 ARG A 646 15.193 -4.203 7.058 1.00 25.00 H new ATOM 0 HD2 ARG A 646 16.815 -5.512 8.358 1.00 25.00 H new ATOM 0 HD3 ARG A 646 16.619 -4.450 9.739 1.00 25.00 H new ATOM 0 HE ARG A 646 14.770 -6.559 8.844 1.00 25.00 H new ATOM 0 HH11 ARG A 646 15.139 -3.653 10.869 1.00 25.00 H new ATOM 0 HH12 ARG A 646 13.788 -4.094 11.918 1.00 25.00 H new ATOM 0 HH21 ARG A 646 13.059 -7.084 10.209 1.00 25.00 H new ATOM 0 HH22 ARG A 646 12.623 -6.017 11.548 1.00 25.00 H new ATOM 989 N ASP A 647 15.603 0.234 8.280 1.00 25.00 N ATOM 990 CA ASP A 647 14.657 1.036 9.064 1.00 25.00 C ATOM 991 C ASP A 647 13.999 2.133 8.207 1.00 25.00 C ATOM 992 O ASP A 647 12.894 2.583 8.520 1.00 25.00 O ATOM 993 CB ASP A 647 15.377 1.650 10.278 1.00 25.00 C ATOM 994 CG ASP A 647 15.719 0.631 11.354 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.178 -0.494 11.300 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.528 0.959 12.248 1.00 25.00 O ATOM 0 H ASP A 647 16.578 0.511 8.395 1.00 25.00 H new ATOM 0 HA ASP A 647 13.861 0.380 9.415 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.294 2.134 9.941 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.747 2.427 10.711 1.00 25.00 H new ATOM 1001 N GLU A 648 14.687 2.555 7.133 1.00 25.00 N ATOM 1002 CA GLU A 648 14.150 3.554 6.197 1.00 25.00 C ATOM 1003 C GLU A 648 13.290 2.868 5.126 1.00 25.00 C ATOM 1004 O GLU A 648 12.187 3.324 4.828 1.00 25.00 O ATOM 1005 CB GLU A 648 15.308 4.362 5.565 1.00 25.00 C ATOM 1006 CG GLU A 648 16.068 5.273 6.534 1.00 25.00 C ATOM 1007 CD GLU A 648 17.189 6.040 5.857 1.00 25.00 C ATOM 1008 OE1 GLU A 648 17.342 5.905 4.626 1.00 25.00 O ATOM 1009 OE2 GLU A 648 17.911 6.778 6.560 1.00 25.00 O ATOM 0 H GLU A 648 15.619 2.218 6.892 1.00 25.00 H new ATOM 0 HA GLU A 648 13.511 4.251 6.739 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.015 3.664 5.116 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.906 4.972 4.756 1.00 25.00 H new ATOM 0 HG2 GLU A 648 15.371 5.979 6.985 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.482 4.672 7.343 1.00 25.00 H new ATOM 1016 N TYR A 649 13.807 1.760 4.575 1.00 25.00 N ATOM 1017 CA TYR A 649 13.097 0.946 3.574 1.00 25.00 C ATOM 1018 C TYR A 649 11.686 0.543 4.068 1.00 25.00 C ATOM 1019 O TYR A 649 10.688 0.806 3.390 1.00 25.00 O ATOM 1020 CB TYR A 649 13.983 -0.283 3.234 1.00 25.00 C ATOM 1021 CG TYR A 649 13.378 -1.304 2.285 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.432 -1.094 0.917 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.765 -2.459 2.752 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.898 -1.999 0.035 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.223 -3.377 1.870 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.293 -3.142 0.513 1.00 25.00 C ATOM 1027 OH TYR A 649 11.757 -4.052 -0.370 1.00 25.00 O ATOM 0 H TYR A 649 14.732 1.401 4.811 1.00 25.00 H new ATOM 0 HA TYR A 649 12.932 1.527 2.666 1.00 25.00 H new ATOM 0 HB2 TYR A 649 14.916 0.077 2.801 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.238 -0.789 4.165 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.904 -0.200 0.537 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.711 -2.643 3.815 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.951 -1.817 -1.028 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.748 -4.273 2.242 1.00 25.00 H new ATOM 0 HH TYR A 649 12.092 -3.868 -1.272 1.00 25.00 H new ATOM 1037 N TYR A 650 11.631 -0.092 5.246 1.00 25.00 N ATOM 1038 CA TYR A 650 10.367 -0.495 5.881 1.00 25.00 C ATOM 1039 C TYR A 650 9.513 0.705 6.354 1.00 25.00 C ATOM 1040 O TYR A 650 8.319 0.544 6.623 1.00 25.00 O ATOM 1041 CB TYR A 650 10.666 -1.431 7.064 1.00 25.00 C ATOM 1042 CG TYR A 650 11.119 -2.819 6.645 1.00 25.00 C ATOM 1043 CD1 TYR A 650 11.937 -3.586 7.472 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.744 -3.357 5.419 1.00 25.00 C ATOM 1045 CE1 TYR A 650 12.366 -4.838 7.090 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.166 -4.616 5.034 1.00 25.00 C ATOM 1047 CZ TYR A 650 11.978 -5.352 5.871 1.00 25.00 C ATOM 1048 OH TYR A 650 12.404 -6.603 5.489 1.00 25.00 O ATOM 0 H TYR A 650 12.460 -0.341 5.786 1.00 25.00 H new ATOM 0 HA TYR A 650 9.777 -1.013 5.125 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.438 -0.979 7.687 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.771 -1.521 7.680 1.00 25.00 H new ATOM 0 HD1 TYR A 650 12.240 -3.192 8.431 1.00 25.00 H new ATOM 0 HD2 TYR A 650 10.113 -2.782 4.757 1.00 25.00 H new ATOM 0 HE1 TYR A 650 13.004 -5.415 7.743 1.00 25.00 H new ATOM 0 HE2 TYR A 650 10.861 -5.022 4.081 1.00 25.00 H new ATOM 0 HH TYR A 650 12.535 -7.161 6.284 1.00 25.00 H new ATOM 1058 N HIS A 651 10.127 1.899 6.449 1.00 25.00 N ATOM 1059 CA HIS A 651 9.429 3.115 6.911 1.00 25.00 C ATOM 1060 C HIS A 651 8.678 3.810 5.766 1.00 25.00 C ATOM 1061 O HIS A 651 7.588 4.349 5.973 1.00 25.00 O ATOM 1062 CB HIS A 651 10.438 4.086 7.556 1.00 25.00 C ATOM 1063 CG HIS A 651 9.834 5.358 8.091 1.00 25.00 C ATOM 1064 ND1 HIS A 651 10.040 6.591 7.508 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.037 5.585 9.166 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.403 7.518 8.200 1.00 25.00 C ATOM 1067 NE2 HIS A 651 8.786 6.933 9.209 1.00 25.00 N ATOM 0 H HIS A 651 11.108 2.048 6.211 1.00 25.00 H new ATOM 0 HA HIS A 651 8.689 2.815 7.653 1.00 25.00 H new ATOM 0 HB2 HIS A 651 10.947 3.571 8.371 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.197 4.343 6.817 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.669 4.843 9.859 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.389 8.575 7.978 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.214 7.407 9.908 1.00 25.00 H new ATOM 1076 N LEU A 652 9.276 3.792 4.568 1.00 25.00 N ATOM 1077 CA LEU A 652 8.674 4.380 3.364 1.00 25.00 C ATOM 1078 C LEU A 652 7.399 3.640 2.935 1.00 25.00 C ATOM 1079 O LEU A 652 6.443 4.257 2.460 1.00 25.00 O ATOM 1080 CB LEU A 652 9.705 4.360 2.242 1.00 25.00 C ATOM 1081 CG LEU A 652 10.902 5.330 2.356 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.965 5.113 1.282 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.388 6.750 2.274 1.00 25.00 C ATOM 0 H LEU A 652 10.190 3.370 4.406 1.00 25.00 H new ATOM 0 HA LEU A 652 8.381 5.406 3.589 1.00 25.00 H new ATOM 0 HB2 LEU A 652 10.099 3.347 2.166 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.188 4.572 1.306 1.00 25.00 H new ATOM 0 HG LEU A 652 11.384 5.135 3.314 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.776 5.828 1.423 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.358 4.099 1.359 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.521 5.257 0.297 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.224 7.445 2.353 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.882 6.899 1.320 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.687 6.931 3.089 1.00 25.00 H new ATOM 1095 N LEU A 653 7.409 2.308 3.098 1.00 25.00 N ATOM 1096 CA LEU A 653 6.213 1.470 2.890 1.00 25.00 C ATOM 1097 C LEU A 653 5.184 1.641 4.023 1.00 25.00 C ATOM 1098 O LEU A 653 3.981 1.462 3.804 1.00 25.00 O ATOM 1099 CB LEU A 653 6.603 -0.013 2.785 1.00 25.00 C ATOM 1100 CG LEU A 653 5.450 -1.030 2.714 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.828 -2.167 1.795 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.090 -1.577 4.087 1.00 25.00 C ATOM 0 H LEU A 653 8.238 1.783 3.375 1.00 25.00 H new ATOM 0 HA LEU A 653 5.756 1.800 1.957 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.223 -0.139 1.897 1.00 25.00 H new ATOM 0 HB3 LEU A 653 7.224 -0.263 3.645 1.00 25.00 H new ATOM 0 HG LEU A 653 4.574 -0.511 2.324 1.00 25.00 H new ATOM 0 HD11 LEU A 653 5.009 -2.884 1.748 1.00 25.00 H new ATOM 0 HD12 LEU A 653 6.027 -1.777 0.797 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.722 -2.661 2.176 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.272 -2.291 3.991 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.958 -2.075 4.519 1.00 25.00 H new ATOM 0 HD23 LEU A 653 4.782 -0.757 4.736 1.00 25.00 H new ATOM 1114 N ALA A 654 5.668 1.992 5.227 1.00 25.00 N ATOM 1115 CA ALA A 654 4.810 2.169 6.408 1.00 25.00 C ATOM 1116 C ALA A 654 4.143 3.548 6.440 1.00 25.00 C ATOM 1117 O ALA A 654 3.058 3.700 7.008 1.00 25.00 O ATOM 1118 CB ALA A 654 5.615 1.953 7.683 1.00 25.00 C ATOM 0 H ALA A 654 6.658 2.160 5.407 1.00 25.00 H new ATOM 0 HA ALA A 654 4.018 1.423 6.344 1.00 25.00 H new ATOM 0 HB1 ALA A 654 4.967 2.087 8.549 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.024 0.943 7.688 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.431 2.675 7.725 1.00 25.00 H new ATOM 1124 N GLU A 655 4.798 4.553 5.829 1.00 25.00 N ATOM 1125 CA GLU A 655 4.257 5.926 5.793 1.00 25.00 C ATOM 1126 C GLU A 655 3.046 6.053 4.854 1.00 25.00 C ATOM 1127 O GLU A 655 2.119 6.801 5.155 1.00 25.00 O ATOM 1128 CB GLU A 655 5.352 6.959 5.442 1.00 25.00 C ATOM 1129 CG GLU A 655 4.888 8.414 5.398 1.00 25.00 C ATOM 1130 CD GLU A 655 5.986 9.366 4.964 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.123 8.900 4.743 1.00 25.00 O ATOM 1132 OE2 GLU A 655 5.709 10.578 4.845 1.00 25.00 O ATOM 0 H GLU A 655 5.695 4.442 5.357 1.00 25.00 H new ATOM 0 HA GLU A 655 3.902 6.148 6.799 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.156 6.873 6.173 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.774 6.700 4.471 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.045 8.502 4.713 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.528 8.706 6.385 1.00 25.00 H new ATOM 1139 N LYS A 656 3.059 5.313 3.725 1.00 25.00 N ATOM 1140 CA LYS A 656 1.882 5.215 2.832 1.00 25.00 C ATOM 1141 C LYS A 656 0.738 4.514 3.569 1.00 25.00 C ATOM 1142 O LYS A 656 -0.433 4.799 3.340 1.00 25.00 O ATOM 1143 CB LYS A 656 2.191 4.414 1.549 1.00 25.00 C ATOM 1144 CG LYS A 656 3.052 5.125 0.496 1.00 25.00 C ATOM 1145 CD LYS A 656 3.079 4.379 -0.835 1.00 25.00 C ATOM 1146 CE LYS A 656 3.762 5.198 -1.918 1.00 25.00 C ATOM 1147 NZ LYS A 656 5.228 5.315 -1.686 1.00 25.00 N ATOM 0 H LYS A 656 3.867 4.776 3.410 1.00 25.00 H new ATOM 0 HA LYS A 656 1.606 6.231 2.549 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.693 3.490 1.835 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.246 4.132 1.085 1.00 25.00 H new ATOM 0 HG2 LYS A 656 2.668 6.133 0.337 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.070 5.228 0.872 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.601 3.430 -0.711 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.060 4.144 -1.143 1.00 25.00 H new ATOM 0 HE2 LYS A 656 3.584 4.736 -2.889 1.00 25.00 H new ATOM 0 HE3 LYS A 656 3.320 6.194 -1.953 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 5.727 5.282 -2.598 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 5.433 6.217 -1.212 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 5.549 4.528 -1.087 1.00 25.00 H new ATOM 1161 N ILE A 657 1.117 3.622 4.498 1.00 25.00 N ATOM 1162 CA ILE A 657 0.174 2.802 5.265 1.00 25.00 C ATOM 1163 C ILE A 657 -0.644 3.667 6.248 1.00 25.00 C ATOM 1164 O ILE A 657 -1.840 3.434 6.434 1.00 25.00 O ATOM 1165 CB ILE A 657 0.958 1.637 5.977 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.058 0.430 5.008 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.358 1.225 7.336 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.815 -0.785 5.537 1.00 25.00 C ATOM 0 H ILE A 657 2.094 3.451 4.737 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.554 2.350 4.591 1.00 25.00 H new ATOM 0 HB ILE A 657 1.955 2.007 6.214 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.048 0.118 4.741 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.541 0.764 4.090 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.951 0.418 7.766 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.366 2.080 8.011 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.668 0.885 7.193 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.823 -1.567 4.778 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.840 -0.500 5.775 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.324 -1.157 6.436 1.00 25.00 H new ATOM 1180 N TYR A 658 0.015 4.654 6.865 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.651 5.587 7.778 1.00 25.00 C ATOM 1182 C TYR A 658 -1.297 6.740 6.991 1.00 25.00 C ATOM 1183 O TYR A 658 -2.307 7.310 7.414 1.00 25.00 O ATOM 1184 CB TYR A 658 0.365 6.137 8.792 1.00 25.00 C ATOM 1185 CG TYR A 658 0.822 5.134 9.843 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.082 4.547 9.776 1.00 25.00 C ATOM 1187 CD2 TYR A 658 -0.008 4.778 10.903 1.00 25.00 C ATOM 1188 CE1 TYR A 658 2.501 3.641 10.729 1.00 25.00 C ATOM 1189 CE2 TYR A 658 0.406 3.869 11.860 1.00 25.00 C ATOM 1190 CZ TYR A 658 1.651 3.296 11.764 1.00 25.00 C ATOM 1191 OH TYR A 658 2.076 2.403 12.720 1.00 25.00 O ATOM 0 H TYR A 658 1.013 4.827 6.747 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.437 5.055 8.315 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.239 6.499 8.250 1.00 25.00 H new ATOM 0 HB3 TYR A 658 -0.075 6.997 9.297 1.00 25.00 H new ATOM 0 HD1 TYR A 658 2.744 4.805 8.963 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.991 5.219 10.979 1.00 25.00 H new ATOM 0 HE1 TYR A 658 3.487 3.204 10.667 1.00 25.00 H new ATOM 0 HE2 TYR A 658 -0.247 3.611 12.680 1.00 25.00 H new ATOM 0 HH TYR A 658 1.364 2.266 13.379 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.689 7.055 5.843 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.122 8.146 4.966 1.00 25.00 C ATOM 1203 C LYS A 659 -2.403 7.788 4.172 1.00 25.00 C ATOM 1204 O LYS A 659 -3.184 8.680 3.826 1.00 25.00 O ATOM 1205 CB LYS A 659 0.075 8.531 4.060 1.00 25.00 C ATOM 1206 CG LYS A 659 -0.117 9.699 3.081 1.00 25.00 C ATOM 1207 CD LYS A 659 1.169 10.123 2.357 1.00 25.00 C ATOM 1208 CE LYS A 659 0.908 11.069 1.193 1.00 25.00 C ATOM 1209 NZ LYS A 659 0.318 12.365 1.635 1.00 25.00 N ATOM 0 H LYS A 659 0.127 6.553 5.493 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.409 9.013 5.561 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.921 8.770 4.705 1.00 25.00 H new ATOM 0 HB3 LYS A 659 0.354 7.651 3.481 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -0.864 9.419 2.339 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -0.514 10.555 3.626 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.838 10.606 3.069 1.00 25.00 H new ATOM 0 HD3 LYS A 659 1.683 9.235 1.989 1.00 25.00 H new ATOM 0 HE2 LYS A 659 1.843 11.259 0.666 1.00 25.00 H new ATOM 0 HE3 LYS A 659 0.234 10.590 0.483 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 0.159 12.974 0.807 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 -0.588 12.188 2.114 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 0.971 12.838 2.292 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.615 6.492 3.899 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.843 6.021 3.229 1.00 25.00 C ATOM 1225 C ILE A 660 -4.981 5.871 4.262 1.00 25.00 C ATOM 1226 O ILE A 660 -6.161 5.990 3.925 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.596 4.679 2.460 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.673 4.926 1.249 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.917 4.053 1.995 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.123 3.663 0.600 1.00 25.00 C ATOM 0 H ILE A 660 -1.955 5.750 4.130 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.139 6.765 2.489 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.114 3.981 3.145 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.224 5.493 0.499 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.837 5.548 1.568 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.712 3.123 1.465 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.546 3.846 2.861 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.433 4.745 1.329 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.486 3.934 -0.242 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.540 3.103 1.331 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.949 3.047 0.245 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.596 5.611 5.515 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.526 5.567 6.655 1.00 25.00 C ATOM 1244 C GLN A 661 -6.160 6.942 6.944 1.00 25.00 C ATOM 1245 O GLN A 661 -7.200 7.025 7.603 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.795 5.052 7.900 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.563 3.535 7.916 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.648 3.023 9.037 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -3.273 3.787 9.926 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.305 1.735 9.024 1.00 25.00 N ATOM 0 H GLN A 661 -3.627 5.424 5.772 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.336 4.886 6.393 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.831 5.556 7.975 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.369 5.329 8.784 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.529 3.037 8.002 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -4.136 3.239 6.958 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.632 1.128 8.273 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.715 1.357 9.765 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.518 8.012 6.440 1.00 25.00 N ATOM 1260 CA LYS A 662 -6.010 9.391 6.606 1.00 25.00 C ATOM 1261 C LYS A 662 -7.233 9.677 5.723 1.00 25.00 C ATOM 1262 O LYS A 662 -8.198 10.297 6.176 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.910 10.412 6.266 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.300 11.896 6.406 1.00 25.00 C ATOM 1265 CD LYS A 662 -5.637 12.331 7.838 1.00 25.00 C ATOM 1266 CE LYS A 662 -5.918 13.814 7.937 1.00 25.00 C ATOM 1267 NZ LYS A 662 -7.211 14.191 7.303 1.00 25.00 N ATOM 0 H LYS A 662 -4.649 7.946 5.910 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.300 9.490 7.652 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -4.052 10.220 6.910 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.584 10.238 5.241 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -4.480 12.511 6.036 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -6.160 12.095 5.767 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -6.506 11.775 8.189 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -4.807 12.076 8.497 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -5.931 14.109 8.986 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -5.108 14.367 7.461 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -7.358 15.216 7.397 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -7.191 13.935 6.295 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -7.989 13.685 7.773 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.176 9.213 4.460 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.217 9.481 3.464 1.00 25.00 C ATOM 1283 C GLU A 663 -9.529 8.735 3.773 1.00 25.00 C ATOM 1284 O GLU A 663 -10.619 9.285 3.588 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.673 9.146 2.059 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.485 9.976 1.575 1.00 25.00 C ATOM 1287 CD GLU A 663 -6.851 11.419 1.287 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -8.060 11.727 1.242 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -5.926 12.240 1.105 1.00 25.00 O ATOM 0 H GLU A 663 -6.407 8.644 4.107 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.470 10.541 3.500 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.383 8.095 2.046 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.485 9.261 1.342 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.699 9.950 2.329 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.076 9.523 0.672 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.403 7.481 4.238 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.555 6.693 4.726 1.00 25.00 C ATOM 1298 C LEU A 664 -11.216 7.329 5.964 1.00 25.00 C ATOM 1299 O LEU A 664 -12.379 7.049 6.266 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.141 5.241 5.075 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.748 4.284 3.917 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.194 2.960 4.432 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.911 4.039 2.969 1.00 25.00 C ATOM 0 H LEU A 664 -8.512 6.987 4.288 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.277 6.683 3.909 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.297 5.293 5.763 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.967 4.782 5.618 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.955 4.784 3.360 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.932 2.322 3.588 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.305 3.147 5.034 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.948 2.463 5.042 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.596 3.365 2.173 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.739 3.590 3.518 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.233 4.986 2.536 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.457 8.176 6.677 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.957 8.877 7.867 1.00 25.00 C ATOM 1317 C GLU A 665 -11.666 10.189 7.476 1.00 25.00 C ATOM 1318 O GLU A 665 -12.461 10.724 8.253 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.790 9.145 8.835 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.320 7.922 9.623 1.00 25.00 C ATOM 1321 CD GLU A 665 -10.292 7.522 10.717 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -10.621 8.381 11.562 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -10.723 6.349 10.730 1.00 25.00 O ATOM 0 H GLU A 665 -9.487 8.392 6.446 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.692 8.247 8.368 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.948 9.540 8.267 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -10.091 9.921 9.539 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.184 7.084 8.939 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.347 8.132 10.066 1.00 25.00 H new ATOM 1694 N SER B 536 -8.262 8.710 -5.259 1.00 25.00 N ATOM 1695 CA SER B 536 -9.566 8.760 -5.921 1.00 25.00 C ATOM 1696 C SER B 536 -10.062 7.348 -6.246 1.00 25.00 C ATOM 1697 O SER B 536 -11.269 7.101 -6.305 1.00 25.00 O ATOM 1698 CB SER B 536 -9.468 9.597 -7.204 1.00 25.00 C ATOM 1699 OG SER B 536 -8.510 9.060 -8.105 1.00 25.00 O ATOM 0 HA SER B 536 -10.282 9.226 -5.245 1.00 25.00 H new ATOM 0 HB2 SER B 536 -10.443 9.636 -7.689 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.196 10.622 -6.951 1.00 25.00 H new ATOM 0 HG SER B 536 -7.764 8.675 -7.599 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.104 6.437 -6.450 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.395 5.032 -6.756 1.00 25.00 C ATOM 1707 C ILE B 537 -9.577 4.206 -5.468 1.00 25.00 C ATOM 1708 O ILE B 537 -10.273 3.186 -5.479 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.269 4.399 -7.653 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.204 5.059 -9.065 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.415 2.873 -7.776 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.935 4.796 -9.879 1.00 25.00 C ATOM 0 H ILE B 537 -8.108 6.652 -6.408 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.331 5.010 -7.314 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.327 4.603 -7.145 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.060 4.713 -9.644 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.316 6.137 -8.944 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.616 2.480 -8.404 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.354 2.421 -6.786 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.379 2.635 -8.225 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -7.007 5.306 -10.840 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.069 5.170 -9.334 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.824 3.724 -10.044 1.00 25.00 H new ATOM 1724 N ALA B 538 -8.962 4.659 -4.368 1.00 25.00 N ATOM 1725 CA ALA B 538 -8.974 3.907 -3.109 1.00 25.00 C ATOM 1726 C ALA B 538 -10.265 4.108 -2.311 1.00 25.00 C ATOM 1727 O ALA B 538 -10.528 3.391 -1.339 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.751 4.255 -2.274 1.00 25.00 C ATOM 0 H ALA B 538 -8.451 5.541 -4.325 1.00 25.00 H new ATOM 0 HA ALA B 538 -8.936 2.848 -3.366 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.773 3.689 -1.343 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -6.848 4.004 -2.830 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.754 5.322 -2.051 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.052 5.083 -2.741 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.388 5.326 -2.188 1.00 25.00 C ATOM 1736 C ASP B 539 -13.454 4.778 -3.153 1.00 25.00 C ATOM 1737 O ASP B 539 -14.636 4.673 -2.806 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.578 6.833 -1.911 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.815 7.331 -0.691 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.449 6.494 0.162 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.588 8.554 -0.592 1.00 25.00 O ATOM 0 H ASP B 539 -10.788 5.731 -3.483 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.498 4.803 -1.238 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.256 7.398 -2.786 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.640 7.037 -1.773 1.00 25.00 H new ATOM 1746 N MET B 540 -13.001 4.422 -4.363 1.00 25.00 N ATOM 1747 CA MET B 540 -13.827 3.745 -5.367 1.00 25.00 C ATOM 1748 C MET B 540 -13.747 2.225 -5.206 1.00 25.00 C ATOM 1749 O MET B 540 -14.697 1.507 -5.535 1.00 25.00 O ATOM 1750 CB MET B 540 -13.351 4.128 -6.770 1.00 25.00 C ATOM 1751 CG MET B 540 -13.739 5.537 -7.204 1.00 25.00 C ATOM 1752 SD MET B 540 -12.982 6.030 -8.767 1.00 25.00 S ATOM 1753 CE MET B 540 -13.781 4.903 -9.915 1.00 25.00 C ATOM 0 H MET B 540 -12.045 4.598 -4.673 1.00 25.00 H new ATOM 0 HA MET B 540 -14.861 4.059 -5.226 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.266 4.034 -6.810 1.00 25.00 H new ATOM 0 HB3 MET B 540 -13.759 3.415 -7.486 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.823 5.596 -7.298 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.447 6.243 -6.427 1.00 25.00 H new ATOM 0 HE1 MET B 540 -13.566 5.212 -10.938 1.00 25.00 H new ATOM 0 HE2 MET B 540 -13.405 3.893 -9.754 1.00 25.00 H new ATOM 0 HE3 MET B 540 -14.858 4.919 -9.750 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.602 1.751 -4.694 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.340 0.320 -4.531 1.00 25.00 C ATOM 1765 C ASP B 541 -12.785 -0.184 -3.147 1.00 25.00 C ATOM 1766 O ASP B 541 -13.016 -1.384 -2.971 1.00 25.00 O ATOM 1767 CB ASP B 541 -10.847 0.045 -4.747 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.462 -0.043 -6.214 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.373 -0.182 -7.057 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.254 0.032 -6.518 1.00 25.00 O ATOM 0 H ASP B 541 -11.836 2.349 -4.383 1.00 25.00 H new ATOM 0 HA ASP B 541 -12.922 -0.222 -5.276 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.266 0.836 -4.272 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.580 -0.888 -4.251 1.00 25.00 H new ATOM 1775 N PHE B 542 -12.912 0.739 -2.176 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.327 0.386 -0.809 1.00 25.00 C ATOM 1777 C PHE B 542 -14.843 0.131 -0.742 1.00 25.00 C ATOM 1778 O PHE B 542 -15.310 -0.637 0.102 1.00 25.00 O ATOM 1779 CB PHE B 542 -12.925 1.510 0.163 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.261 1.250 1.614 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.432 0.473 2.409 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.418 1.773 2.171 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.749 0.224 3.731 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.740 1.528 3.493 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.905 0.753 4.274 1.00 25.00 C ATOM 0 H PHE B 542 -12.733 1.734 -2.314 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.821 -0.535 -0.518 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -11.851 1.676 0.078 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.416 2.432 -0.148 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.528 0.057 1.990 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.075 2.379 1.565 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -12.095 -0.383 4.339 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.644 1.942 3.915 1.00 25.00 H new ATOM 0 HZ PHE B 542 -14.155 0.561 5.307 1.00 25.00 H new ATOM 1795 N SER B 543 -15.592 0.786 -1.642 1.00 25.00 N ATOM 1796 CA SER B 543 -17.050 0.625 -1.732 1.00 25.00 C ATOM 1797 C SER B 543 -17.433 -0.633 -2.530 1.00 25.00 C ATOM 1798 O SER B 543 -18.521 -1.186 -2.341 1.00 25.00 O ATOM 1799 CB SER B 543 -17.673 1.869 -2.373 1.00 25.00 C ATOM 1800 OG SER B 543 -17.357 1.959 -3.754 1.00 25.00 O ATOM 0 H SER B 543 -15.206 1.439 -2.324 1.00 25.00 H new ATOM 0 HA SER B 543 -17.438 0.505 -0.721 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.755 1.840 -2.248 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.316 2.761 -1.859 1.00 25.00 H new ATOM 0 HG SER B 543 -17.771 2.763 -4.133 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.525 -1.073 -3.417 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.748 -2.258 -4.256 1.00 25.00 C ATOM 1808 C ALA B 544 -16.383 -3.560 -3.529 1.00 25.00 C ATOM 1809 O ALA B 544 -16.875 -4.634 -3.886 1.00 25.00 O ATOM 1810 CB ALA B 544 -15.958 -2.136 -5.553 1.00 25.00 C ATOM 0 H ALA B 544 -15.624 -0.621 -3.571 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.813 -2.303 -4.483 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.130 -3.019 -6.168 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.283 -1.248 -6.095 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.895 -2.054 -5.325 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.519 -3.448 -2.507 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.080 -4.597 -1.707 1.00 25.00 C ATOM 1818 C LEU B 545 -16.105 -4.980 -0.629 1.00 25.00 C ATOM 1819 O LEU B 545 -16.122 -6.123 -0.163 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.730 -4.281 -1.056 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.526 -4.214 -2.009 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.316 -3.613 -1.312 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.167 -5.601 -2.538 1.00 25.00 C ATOM 0 H LEU B 545 -15.108 -2.561 -2.215 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.982 -5.451 -2.378 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.813 -3.325 -0.538 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.528 -5.038 -0.298 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.809 -3.577 -2.847 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.477 -3.576 -2.007 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.554 -2.604 -0.976 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -11.049 -4.228 -0.452 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.312 -5.524 -3.210 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.915 -6.255 -1.703 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -13.018 -6.015 -3.079 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.955 -4.015 -0.242 1.00 25.00 N ATOM 1836 CA LEU B 546 -18.005 -4.243 0.765 1.00 25.00 C ATOM 1837 C LEU B 546 -19.284 -4.772 0.113 1.00 25.00 C ATOM 1838 O LEU B 546 -20.029 -5.547 0.719 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.322 -2.938 1.522 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.204 -2.380 2.412 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -17.625 -1.047 3.016 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -16.849 -3.361 3.519 1.00 25.00 C ATOM 0 H LEU B 546 -16.935 -3.065 -0.613 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.632 -4.988 1.468 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.590 -2.175 0.791 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.201 -3.108 2.143 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.322 -2.228 1.790 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -16.822 -0.663 3.645 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -17.832 -0.335 2.217 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -18.522 -1.188 3.619 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.054 -2.942 4.136 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -17.728 -3.546 4.137 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.510 -4.299 3.079 1.00 25.00 H new ATOM 1854 N SER B 547 -19.522 -4.332 -1.126 1.00 25.00 N ATOM 1855 CA SER B 547 -20.710 -4.718 -1.900 1.00 25.00 C ATOM 1856 C SER B 547 -20.605 -6.147 -2.470 1.00 25.00 C ATOM 1857 O SER B 547 -21.619 -6.733 -2.861 1.00 25.00 O ATOM 1858 CB SER B 547 -20.933 -3.711 -3.037 1.00 25.00 C ATOM 1859 OG SER B 547 -19.888 -3.769 -3.997 1.00 25.00 O ATOM 0 H SER B 547 -18.897 -3.697 -1.623 1.00 25.00 H new ATOM 0 HA SER B 547 -21.562 -4.709 -1.220 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.887 -3.915 -3.523 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.995 -2.704 -2.625 1.00 25.00 H new ATOM 0 HG SER B 547 -19.078 -4.129 -3.578 1.00 25.00 H new ATOM 1865 N GLN B 548 -19.381 -6.696 -2.506 1.00 25.00 N ATOM 1866 CA GLN B 548 -19.138 -8.028 -3.084 1.00 25.00 C ATOM 1867 C GLN B 548 -19.220 -9.157 -2.039 1.00 25.00 C ATOM 1868 O GLN B 548 -19.264 -10.339 -2.397 1.00 25.00 O ATOM 1869 CB GLN B 548 -17.791 -8.064 -3.831 1.00 25.00 C ATOM 1870 CG GLN B 548 -17.790 -7.324 -5.163 1.00 25.00 C ATOM 1871 CD GLN B 548 -18.680 -7.954 -6.234 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -18.587 -9.154 -6.493 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -19.524 -7.151 -6.884 1.00 25.00 N ATOM 0 H GLN B 548 -18.545 -6.239 -2.142 1.00 25.00 H new ATOM 0 HA GLN B 548 -19.939 -8.210 -3.800 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -17.022 -7.634 -3.190 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -17.514 -9.104 -4.007 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -18.115 -6.297 -4.995 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -16.768 -7.277 -5.538 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -19.574 -6.161 -6.643 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -20.119 -7.527 -7.622 1.00 25.00 H new ATOM 1882 N ILE B 549 -19.252 -8.776 -0.761 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.314 -9.745 0.348 1.00 25.00 C ATOM 1884 C ILE B 549 -20.731 -9.864 0.928 1.00 25.00 C ATOM 1885 O ILE B 549 -21.133 -10.943 1.373 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.302 -9.416 1.491 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -16.833 -9.584 1.026 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -18.595 -10.292 2.711 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -15.800 -8.952 1.945 1.00 25.00 C ATOM 0 H ILE B 549 -19.236 -7.801 -0.462 1.00 25.00 H new ATOM 0 HA ILE B 549 -19.032 -10.704 -0.085 1.00 25.00 H new ATOM 0 HB ILE B 549 -18.429 -8.369 1.767 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.615 -10.648 0.934 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.729 -9.150 0.032 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -17.886 -10.058 3.505 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -19.609 -10.100 3.062 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.499 -11.342 2.436 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -14.802 -9.120 1.540 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -15.986 -7.881 2.019 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -15.870 -9.402 2.935 1.00 25.00 H new ATOM 1901 N SER B 550 -21.476 -8.750 0.914 1.00 25.00 N ATOM 1902 CA SER B 550 -22.844 -8.715 1.437 1.00 25.00 C ATOM 1903 C SER B 550 -23.875 -8.830 0.306 1.00 25.00 C ATOM 1904 O SER B 550 -24.936 -9.432 0.490 1.00 25.00 O ATOM 1905 CB SER B 550 -23.069 -7.423 2.235 1.00 25.00 C ATOM 1906 OG SER B 550 -22.956 -6.274 1.409 1.00 25.00 O ATOM 0 H SER B 550 -21.149 -7.858 0.543 1.00 25.00 H new ATOM 0 HA SER B 550 -22.977 -9.571 2.099 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.057 -7.446 2.695 1.00 25.00 H new ATOM 0 HB3 SER B 550 -22.342 -7.363 3.045 1.00 25.00 H new ATOM 0 HG SER B 550 -22.010 -6.094 1.227 1.00 25.00 H new ATOM 1912 N SER B 551 -23.544 -8.243 -0.869 1.00 25.00 N ATOM 1913 CA SER B 551 -24.408 -8.253 -2.074 1.00 25.00 C ATOM 1914 C SER B 551 -25.779 -7.608 -1.813 1.00 25.00 C ATOM 1915 O SER B 551 -25.949 -6.426 -2.177 1.00 25.00 O ATOM 1916 CB SER B 551 -24.577 -9.679 -2.639 1.00 25.00 C ATOM 1917 OG SER B 551 -23.323 -10.250 -2.973 1.00 25.00 O ATOM 1918 OXT SER B 551 -26.664 -8.283 -1.238 1.00 25.00 O ATOM 0 H SER B 551 -22.664 -7.746 -1.008 1.00 25.00 H new ATOM 0 HA SER B 551 -23.899 -7.647 -2.824 1.00 25.00 H new ATOM 0 HB2 SER B 551 -25.081 -10.307 -1.904 1.00 25.00 H new ATOM 0 HB3 SER B 551 -25.213 -9.650 -3.523 1.00 25.00 H new ATOM 0 HG SER B 551 -23.459 -11.154 -3.327 1.00 25.00 H new