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= -0.241 K(o=0.12,f=-0.76) USER MOD Set 1.2: A 614 THR OG1 : rot 38:sc= 0.363 USER MOD Set 2.1: A 592 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.1!) USER MOD Set 2.2: A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 594 HIS :FLIP no HE2:sc= 0.305 F(o=-1.2,f=0.3) USER MOD Single : A 596 THR OG1 : rot -140:sc= -0.321 USER MOD Single : A 597 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 601 SER OG : rot -35:sc= 1 USER MOD Single : A 602 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.095) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -134:sc= -0.118 (180deg=-1.68) USER MOD Single : A 627 ASN : amide:sc=-0.00805 K(o=-0.008,f=-0.98) 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 -148:sc= -2.71 (180deg=-5.31!) USER MOD Single : A 642 SER OG : rot -153:sc= -0.775 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= -0.0047 USER MOD Single : A 649 TYR OH : rot 180:sc= 0 USER MOD Single : A 650 TYR OH : rot 165:sc= 0 USER MOD Single : A 651 HIS : no HE2:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 656 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0357) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 662 LYS NZ :NH3+ -120:sc= 0.33 (180deg=-0.264) USER MOD Single : B 536 SER OG : rot -32:sc= 0.0562 USER MOD Single : B 540 MET CE :methyl -167:sc=-0.00611 (180deg=-0.214) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -32:sc= 0.184 USER MOD Single : B 548 GLN :FLIP amide:sc= -0.0639 F(o=-1.2,f=-0.064) USER MOD Single : B 550 SER OG : rot -77:sc= 0.429 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.012 -4.522 5.206 1.00 25.00 N ATOM 73 CA GLY A 590 23.399 -5.661 5.904 1.00 25.00 C ATOM 74 C GLY A 590 22.018 -6.051 5.374 1.00 25.00 C ATOM 75 O GLY A 590 21.684 -7.239 5.324 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.063 -6.522 5.824 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.315 -5.421 6.964 1.00 25.00 H new ATOM 79 N TRP A 591 21.232 -5.046 4.962 1.00 25.00 N ATOM 80 CA TRP A 591 19.858 -5.252 4.466 1.00 25.00 C ATOM 81 C TRP A 591 19.829 -5.951 3.095 1.00 25.00 C ATOM 82 O TRP A 591 18.920 -6.728 2.809 1.00 25.00 O ATOM 83 CB TRP A 591 19.118 -3.900 4.395 1.00 25.00 C ATOM 84 CG TRP A 591 19.645 -2.918 3.370 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.559 -1.921 3.576 1.00 25.00 C ATOM 86 CD2 TRP A 591 19.267 -2.833 1.987 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.787 -1.238 2.405 1.00 25.00 N ATOM 88 CE2 TRP A 591 20.003 -1.776 1.416 1.00 25.00 C ATOM 89 CE3 TRP A 591 18.384 -3.553 1.173 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.878 -1.421 0.074 1.00 25.00 C ATOM 91 CZ3 TRP A 591 18.262 -3.198 -0.157 1.00 25.00 C ATOM 92 CH2 TRP A 591 19.006 -2.143 -0.695 1.00 25.00 C ATOM 0 H TRP A 591 21.527 -4.070 4.962 1.00 25.00 H new ATOM 0 HA TRP A 591 19.350 -5.911 5.170 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.067 -4.093 4.180 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.162 -3.430 5.378 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.033 -1.702 4.522 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.434 -0.458 2.290 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.808 -4.372 1.578 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 20.449 -0.605 -0.344 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 17.580 -3.745 -0.792 1.00 25.00 H new ATOM 0 HH2 TRP A 591 18.890 -1.893 -1.739 1.00 25.00 H new ATOM 103 N HIS A 592 20.844 -5.665 2.269 1.00 25.00 N ATOM 104 CA HIS A 592 20.945 -6.195 0.896 1.00 25.00 C ATOM 105 C HIS A 592 21.066 -7.734 0.872 1.00 25.00 C ATOM 106 O HIS A 592 20.517 -8.386 -0.021 1.00 25.00 O ATOM 107 CB HIS A 592 22.156 -5.546 0.193 1.00 25.00 C ATOM 108 CG HIS A 592 22.346 -5.936 -1.249 1.00 25.00 C ATOM 109 ND1 HIS A 592 23.080 -7.039 -1.637 1.00 25.00 N ATOM 110 CD2 HIS A 592 21.875 -5.381 -2.392 1.00 25.00 C ATOM 111 CE1 HIS A 592 23.054 -7.143 -2.954 1.00 25.00 C ATOM 112 NE2 HIS A 592 22.329 -6.150 -3.436 1.00 25.00 N ATOM 0 H HIS A 592 21.621 -5.059 2.531 1.00 25.00 H new ATOM 0 HA HIS A 592 20.027 -5.944 0.365 1.00 25.00 H new ATOM 0 HB2 HIS A 592 22.050 -4.463 0.249 1.00 25.00 H new ATOM 0 HB3 HIS A 592 23.059 -5.807 0.745 1.00 25.00 H new ATOM 0 HD1 HIS A 592 23.567 -7.675 -1.005 1.00 25.00 H new ATOM 0 HD2 HIS A 592 21.257 -4.498 -2.468 1.00 25.00 H new ATOM 0 HE1 HIS A 592 23.543 -7.910 -3.537 1.00 25.00 H new ATOM 121 N GLU A 593 21.786 -8.295 1.854 1.00 25.00 N ATOM 122 CA GLU A 593 21.970 -9.738 1.975 1.00 25.00 C ATOM 123 C GLU A 593 20.871 -10.362 2.863 1.00 25.00 C ATOM 124 O GLU A 593 20.791 -11.588 3.001 1.00 25.00 O ATOM 125 CB GLU A 593 23.365 -10.005 2.557 1.00 25.00 C ATOM 126 CG GLU A 593 24.495 -9.434 1.727 1.00 25.00 C ATOM 127 CD GLU A 593 24.496 -9.946 0.298 1.00 25.00 C ATOM 128 OE1 GLU A 593 24.558 -11.179 0.109 1.00 25.00 O ATOM 129 OE2 GLU A 593 24.437 -9.115 -0.632 1.00 25.00 O ATOM 0 H GLU A 593 22.254 -7.757 2.583 1.00 25.00 H new ATOM 0 HA GLU A 593 21.890 -10.201 0.992 1.00 25.00 H new ATOM 0 HB2 GLU A 593 23.416 -9.584 3.561 1.00 25.00 H new ATOM 0 HB3 GLU A 593 23.507 -11.081 2.655 1.00 25.00 H new ATOM 0 HG2 GLU A 593 24.419 -8.347 1.718 1.00 25.00 H new ATOM 0 HG3 GLU A 593 25.446 -9.683 2.197 1.00 25.00 H new ATOM 136 N HIS A 594 20.026 -9.500 3.441 1.00 25.00 N ATOM 137 CA HIS A 594 18.969 -9.923 4.362 1.00 25.00 C ATOM 138 C HIS A 594 17.577 -9.876 3.695 1.00 25.00 C ATOM 139 O HIS A 594 16.678 -10.619 4.100 1.00 25.00 O ATOM 140 CB HIS A 594 19.034 -9.031 5.624 1.00 25.00 C ATOM 141 CG HIS A 594 19.825 -9.578 6.779 1.00 25.00 C ATOM 142 ND1 HIS A 594 21.143 -9.466 7.063 1.00 25.00 N flip ATOM 143 CD2 HIS A 594 19.279 -10.346 7.785 1.00 25.00 C flip ATOM 144 CE1 HIS A 594 21.370 -10.162 8.225 1.00 25.00 C flip ATOM 145 NE2 HIS A 594 20.229 -10.682 8.641 1.00 25.00 N flip ATOM 0 H HIS A 594 20.057 -8.493 3.283 1.00 25.00 H new ATOM 0 HA HIS A 594 19.129 -10.963 4.646 1.00 25.00 H new ATOM 0 HB2 HIS A 594 19.459 -8.068 5.342 1.00 25.00 H new ATOM 0 HB3 HIS A 594 18.016 -8.842 5.964 1.00 25.00 H new ATOM 0 HD1 HIS A 594 21.839 -8.959 6.516 1.00 25.00 H new ATOM 0 HD2 HIS A 594 18.239 -10.629 7.862 1.00 25.00 H new ATOM 0 HE1 HIS A 594 22.325 -10.267 8.718 1.00 25.00 H new ATOM 154 N VAL A 595 17.409 -9.014 2.679 1.00 25.00 N ATOM 155 CA VAL A 595 16.119 -8.874 1.986 1.00 25.00 C ATOM 156 C VAL A 595 15.919 -10.030 0.991 1.00 25.00 C ATOM 157 O VAL A 595 16.797 -10.323 0.174 1.00 25.00 O ATOM 158 CB VAL A 595 15.993 -7.481 1.267 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.826 -7.428 0.270 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.818 -6.368 2.290 1.00 25.00 C ATOM 0 H VAL A 595 18.146 -8.407 2.321 1.00 25.00 H new ATOM 0 HA VAL A 595 15.329 -8.920 2.736 1.00 25.00 H new ATOM 0 HB VAL A 595 16.918 -7.341 0.708 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.789 -6.443 -0.195 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.970 -8.187 -0.499 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.890 -7.617 0.795 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.732 -5.411 1.775 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.915 -6.548 2.873 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.681 -6.346 2.955 1.00 25.00 H new ATOM 170 N THR A 596 14.750 -10.668 1.084 1.00 25.00 N ATOM 171 CA THR A 596 14.414 -11.825 0.250 1.00 25.00 C ATOM 172 C THR A 596 13.310 -11.492 -0.755 1.00 25.00 C ATOM 173 O THR A 596 12.869 -10.341 -0.854 1.00 25.00 O ATOM 174 CB THR A 596 13.944 -13.029 1.109 1.00 25.00 C ATOM 175 OG1 THR A 596 12.785 -12.670 1.875 1.00 25.00 O ATOM 176 CG2 THR A 596 15.033 -13.514 2.045 1.00 25.00 C ATOM 0 H THR A 596 14.013 -10.399 1.736 1.00 25.00 H new ATOM 0 HA THR A 596 15.326 -12.091 -0.284 1.00 25.00 H new ATOM 0 HB THR A 596 13.699 -13.839 0.423 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.852 -13.059 2.772 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.663 -14.357 2.628 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.900 -13.828 1.463 1.00 25.00 H new ATOM 0 HG23 THR A 596 15.321 -12.706 2.718 1.00 25.00 H new ATOM 184 N GLN A 597 12.878 -12.517 -1.503 1.00 25.00 N ATOM 185 CA GLN A 597 11.678 -12.436 -2.339 1.00 25.00 C ATOM 186 C GLN A 597 10.425 -12.574 -1.463 1.00 25.00 C ATOM 187 O GLN A 597 9.317 -12.235 -1.886 1.00 25.00 O ATOM 188 CB GLN A 597 11.676 -13.531 -3.429 1.00 25.00 C ATOM 189 CG GLN A 597 12.766 -13.402 -4.492 1.00 25.00 C ATOM 190 CD GLN A 597 12.721 -14.495 -5.551 1.00 25.00 C ATOM 191 OE1 GLN A 597 11.737 -15.382 -5.451 1.00 25.00 O flip ATOM 192 NE2 GLN A 597 13.569 -14.546 -6.442 1.00 25.00 N flip ATOM 0 H GLN A 597 13.350 -13.420 -1.544 1.00 25.00 H new ATOM 0 HA GLN A 597 11.676 -11.465 -2.835 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.778 -14.502 -2.944 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.706 -13.523 -3.926 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.672 -12.432 -4.980 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.741 -13.421 -4.004 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.309 -13.845 -6.483 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.532 -15.290 -7.139 1.00 25.00 H new ATOM 201 N ASP A 598 10.623 -13.091 -0.235 1.00 25.00 N ATOM 202 CA ASP A 598 9.543 -13.262 0.738 1.00 25.00 C ATOM 203 C ASP A 598 9.174 -11.934 1.413 1.00 25.00 C ATOM 204 O ASP A 598 8.015 -11.739 1.794 1.00 25.00 O ATOM 205 CB ASP A 598 9.938 -14.296 1.796 1.00 25.00 C ATOM 206 CG ASP A 598 10.105 -15.693 1.223 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.264 -16.098 0.393 1.00 25.00 O ATOM 208 OD2 ASP A 598 11.076 -16.379 1.604 1.00 25.00 O ATOM 0 H ASP A 598 11.535 -13.399 0.103 1.00 25.00 H new ATOM 0 HA ASP A 598 8.666 -13.618 0.197 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.871 -13.988 2.267 1.00 25.00 H new ATOM 0 HB3 ASP A 598 9.178 -14.318 2.577 1.00 25.00 H new ATOM 213 N LEU A 599 10.162 -11.024 1.565 1.00 25.00 N ATOM 214 CA LEU A 599 9.900 -9.672 2.086 1.00 25.00 C ATOM 215 C LEU A 599 8.991 -8.861 1.161 1.00 25.00 C ATOM 216 O LEU A 599 8.043 -8.232 1.629 1.00 25.00 O ATOM 217 CB LEU A 599 11.207 -8.889 2.328 1.00 25.00 C ATOM 218 CG LEU A 599 11.072 -7.460 2.891 1.00 25.00 C ATOM 219 CD1 LEU A 599 10.358 -7.510 4.223 1.00 25.00 C ATOM 220 CD2 LEU A 599 12.421 -6.777 3.092 1.00 25.00 C ATOM 0 H LEU A 599 11.139 -11.203 1.335 1.00 25.00 H new ATOM 0 HA LEU A 599 9.388 -9.814 3.038 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.826 -9.467 3.015 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.747 -8.831 1.383 1.00 25.00 H new ATOM 0 HG LEU A 599 10.508 -6.882 2.160 1.00 25.00 H new ATOM 0 HD11 LEU A 599 10.262 -6.500 4.622 1.00 25.00 H new ATOM 0 HD12 LEU A 599 9.367 -7.943 4.088 1.00 25.00 H new ATOM 0 HD13 LEU A 599 10.930 -8.123 4.920 1.00 25.00 H new ATOM 0 HD21 LEU A 599 12.265 -5.774 3.490 1.00 25.00 H new ATOM 0 HD22 LEU A 599 13.021 -7.357 3.793 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.942 -6.711 2.137 1.00 25.00 H new ATOM 232 N ARG A 600 9.265 -8.905 -0.155 1.00 25.00 N ATOM 233 CA ARG A 600 8.498 -8.124 -1.141 1.00 25.00 C ATOM 234 C ARG A 600 7.026 -8.578 -1.217 1.00 25.00 C ATOM 235 O ARG A 600 6.151 -7.797 -1.588 1.00 25.00 O ATOM 236 CB ARG A 600 9.178 -8.179 -2.532 1.00 25.00 C ATOM 237 CG ARG A 600 10.492 -7.406 -2.659 1.00 25.00 C ATOM 238 CD ARG A 600 11.116 -7.596 -4.031 1.00 25.00 C ATOM 239 NE ARG A 600 12.391 -6.879 -4.163 1.00 25.00 N ATOM 240 CZ ARG A 600 13.209 -6.958 -5.224 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.901 -7.715 -6.277 1.00 25.00 N ATOM 242 NH2 ARG A 600 14.343 -6.271 -5.229 1.00 25.00 N ATOM 0 H ARG A 600 10.010 -9.472 -0.559 1.00 25.00 H new ATOM 0 HA ARG A 600 8.492 -7.087 -0.806 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.366 -9.223 -2.783 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.478 -7.794 -3.274 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.311 -6.346 -2.484 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.189 -7.741 -1.891 1.00 25.00 H new ATOM 0 HD2 ARG A 600 11.278 -8.659 -4.211 1.00 25.00 H new ATOM 0 HD3 ARG A 600 10.423 -7.245 -4.796 1.00 25.00 H new ATOM 0 HE ARG A 600 12.676 -6.276 -3.391 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.031 -8.247 -6.286 1.00 25.00 H new ATOM 0 HH12 ARG A 600 13.536 -7.762 -7.074 1.00 25.00 H new ATOM 0 HH21 ARG A 600 14.589 -5.687 -4.430 1.00 25.00 H new ATOM 0 HH22 ARG A 600 14.969 -6.326 -6.032 1.00 25.00 H new ATOM 256 N SER A 601 6.779 -9.848 -0.856 1.00 25.00 N ATOM 257 CA SER A 601 5.426 -10.415 -0.822 1.00 25.00 C ATOM 258 C SER A 601 4.717 -10.103 0.507 1.00 25.00 C ATOM 259 O SER A 601 3.492 -9.960 0.542 1.00 25.00 O ATOM 260 CB SER A 601 5.493 -11.934 -1.035 1.00 25.00 C ATOM 261 OG SER A 601 6.048 -12.591 0.094 1.00 25.00 O ATOM 0 H SER A 601 7.509 -10.505 -0.581 1.00 25.00 H new ATOM 0 HA SER A 601 4.849 -9.957 -1.625 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.492 -12.321 -1.227 1.00 25.00 H new ATOM 0 HB3 SER A 601 6.094 -12.153 -1.917 1.00 25.00 H new ATOM 0 HG SER A 601 6.739 -12.024 0.495 1.00 25.00 H new ATOM 267 N HIS A 602 5.504 -9.997 1.592 1.00 25.00 N ATOM 268 CA HIS A 602 4.979 -9.698 2.936 1.00 25.00 C ATOM 269 C HIS A 602 4.720 -8.196 3.106 1.00 25.00 C ATOM 270 O HIS A 602 3.959 -7.786 3.988 1.00 25.00 O ATOM 271 CB HIS A 602 5.969 -10.200 4.003 1.00 25.00 C ATOM 272 CG HIS A 602 6.082 -11.696 4.096 1.00 25.00 C ATOM 273 ND1 HIS A 602 7.103 -12.334 4.769 1.00 25.00 N ATOM 274 CD2 HIS A 602 5.292 -12.678 3.600 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.936 -13.642 4.681 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.845 -13.877 3.979 1.00 25.00 N ATOM 0 H HIS A 602 6.517 -10.115 1.563 1.00 25.00 H new ATOM 0 HA HIS A 602 4.027 -10.214 3.060 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.955 -9.787 3.789 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.665 -9.811 4.974 1.00 25.00 H new ATOM 0 HD2 HIS A 602 4.394 -12.543 3.015 1.00 25.00 H new ATOM 0 HE1 HIS A 602 7.584 -14.392 5.111 1.00 25.00 H new ATOM 0 HE2 HIS A 602 5.472 -14.799 3.754 1.00 25.00 H new ATOM 285 N LEU A 603 5.362 -7.393 2.254 1.00 25.00 N ATOM 286 CA LEU A 603 5.186 -5.941 2.244 1.00 25.00 C ATOM 287 C LEU A 603 3.946 -5.546 1.435 1.00 25.00 C ATOM 288 O LEU A 603 3.234 -4.604 1.786 1.00 25.00 O ATOM 289 CB LEU A 603 6.441 -5.277 1.688 1.00 25.00 C ATOM 290 CG LEU A 603 7.681 -5.254 2.619 1.00 25.00 C ATOM 291 CD1 LEU A 603 8.824 -4.603 1.920 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.451 -4.516 3.928 1.00 25.00 C ATOM 0 H LEU A 603 6.019 -7.733 1.551 1.00 25.00 H new ATOM 0 HA LEU A 603 5.031 -5.595 3.266 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.717 -5.787 0.765 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.194 -4.249 1.423 1.00 25.00 H new ATOM 0 HG LEU A 603 7.892 -6.296 2.858 1.00 25.00 H new ATOM 0 HD11 LEU A 603 9.693 -4.589 2.578 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.063 -5.162 1.015 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.554 -3.581 1.655 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.362 -4.542 4.526 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.184 -3.480 3.720 1.00 25.00 H new ATOM 0 HD23 LEU A 603 6.642 -4.996 4.479 1.00 25.00 H new ATOM 304 N VAL A 604 3.711 -6.292 0.348 1.00 25.00 N ATOM 305 CA VAL A 604 2.469 -6.237 -0.437 1.00 25.00 C ATOM 306 C VAL A 604 1.289 -6.803 0.384 1.00 25.00 C ATOM 307 O VAL A 604 0.146 -6.373 0.220 1.00 25.00 O ATOM 308 CB VAL A 604 2.671 -7.030 -1.767 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.373 -7.564 -2.353 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.342 -6.143 -2.796 1.00 25.00 C ATOM 0 H VAL A 604 4.388 -6.961 -0.017 1.00 25.00 H new ATOM 0 HA VAL A 604 2.230 -5.202 -0.680 1.00 25.00 H new ATOM 0 HB VAL A 604 3.296 -7.889 -1.521 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.585 -8.104 -3.275 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.901 -8.238 -1.638 1.00 25.00 H new ATOM 0 HG13 VAL A 604 0.701 -6.733 -2.566 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.481 -6.701 -3.722 1.00 25.00 H new ATOM 0 HG22 VAL A 604 2.717 -5.271 -2.988 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.312 -5.818 -2.419 1.00 25.00 H new ATOM 320 N HIS A 605 1.599 -7.765 1.268 1.00 25.00 N ATOM 321 CA HIS A 605 0.628 -8.304 2.228 1.00 25.00 C ATOM 322 C HIS A 605 0.488 -7.350 3.430 1.00 25.00 C ATOM 323 O HIS A 605 -0.476 -7.428 4.193 1.00 25.00 O ATOM 324 CB HIS A 605 1.070 -9.705 2.684 1.00 25.00 C ATOM 325 CG HIS A 605 0.030 -10.480 3.448 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.117 -10.970 2.862 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.046 -10.817 4.761 1.00 25.00 C ATOM 328 CE1 HIS A 605 -1.856 -11.573 3.779 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.228 -11.495 4.938 1.00 25.00 N ATOM 0 H HIS A 605 2.525 -8.188 1.336 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.347 -8.390 1.748 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.360 -10.282 1.806 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.958 -9.605 3.308 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.686 -10.594 5.524 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -2.811 -12.048 3.609 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -1.566 -11.876 5.822 1.00 25.00 H new ATOM 338 N LYS A 606 1.480 -6.454 3.573 1.00 25.00 N ATOM 339 CA LYS A 606 1.456 -5.371 4.568 1.00 25.00 C ATOM 340 C LYS A 606 0.642 -4.189 4.015 1.00 25.00 C ATOM 341 O LYS A 606 0.138 -3.350 4.765 1.00 25.00 O ATOM 342 CB LYS A 606 2.900 -4.921 4.859 1.00 25.00 C ATOM 343 CG LYS A 606 3.462 -5.345 6.211 1.00 25.00 C ATOM 344 CD LYS A 606 4.593 -4.422 6.647 1.00 25.00 C ATOM 345 CE LYS A 606 5.140 -4.820 8.001 1.00 25.00 C ATOM 346 NZ LYS A 606 6.199 -3.890 8.477 1.00 25.00 N ATOM 0 H LYS A 606 2.323 -6.462 2.999 1.00 25.00 H new ATOM 0 HA LYS A 606 0.994 -5.724 5.490 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.549 -5.314 4.076 1.00 25.00 H new ATOM 0 HB3 LYS A 606 2.943 -3.834 4.792 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.669 -5.332 6.959 1.00 25.00 H new ATOM 0 HG3 LYS A 606 3.827 -6.370 6.151 1.00 25.00 H new ATOM 0 HD2 LYS A 606 5.393 -4.450 5.907 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.231 -3.395 6.687 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.327 -4.843 8.726 1.00 25.00 H new ATOM 0 HE3 LYS A 606 5.545 -5.830 7.944 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.543 -4.203 9.407 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.988 -3.886 7.799 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 5.807 -2.930 8.558 1.00 25.00 H new ATOM 360 N LEU A 607 0.535 -4.167 2.683 1.00 25.00 N ATOM 361 CA LEU A 607 -0.119 -3.100 1.938 1.00 25.00 C ATOM 362 C LEU A 607 -1.631 -3.340 1.814 1.00 25.00 C ATOM 363 O LEU A 607 -2.429 -2.487 2.202 1.00 25.00 O ATOM 364 CB LEU A 607 0.518 -3.038 0.533 1.00 25.00 C ATOM 365 CG LEU A 607 1.474 -1.869 0.165 1.00 25.00 C ATOM 366 CD1 LEU A 607 2.590 -2.225 -0.808 1.00 25.00 C ATOM 367 CD2 LEU A 607 0.680 -0.701 -0.339 1.00 25.00 C ATOM 0 H LEU A 607 0.909 -4.905 2.087 1.00 25.00 H new ATOM 0 HA LEU A 607 0.017 -2.158 2.470 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.069 -3.967 0.386 1.00 25.00 H new ATOM 0 HB3 LEU A 607 -0.296 -3.032 -0.192 1.00 25.00 H new ATOM 0 HG LEU A 607 1.990 -1.610 1.090 1.00 25.00 H new ATOM 0 HD11 LEU A 607 3.200 -1.343 -1.000 1.00 25.00 H new ATOM 0 HD12 LEU A 607 3.212 -3.010 -0.377 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.158 -2.578 -1.744 1.00 25.00 H new ATOM 0 HD21 LEU A 607 1.356 0.115 -0.595 1.00 25.00 H new ATOM 0 HD22 LEU A 607 0.118 -0.998 -1.224 1.00 25.00 H new ATOM 0 HD23 LEU A 607 -0.012 -0.370 0.436 1.00 25.00 H new ATOM 379 N VAL A 608 -2.008 -4.524 1.293 1.00 25.00 N ATOM 380 CA VAL A 608 -3.414 -4.862 0.989 1.00 25.00 C ATOM 381 C VAL A 608 -4.284 -4.914 2.266 1.00 25.00 C ATOM 382 O VAL A 608 -5.477 -4.611 2.211 1.00 25.00 O ATOM 383 CB VAL A 608 -3.513 -6.217 0.205 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.958 -6.691 0.047 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.868 -6.099 -1.176 1.00 25.00 C ATOM 0 H VAL A 608 -1.350 -5.271 1.071 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.802 -4.065 0.355 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.974 -6.956 0.798 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.974 -7.632 -0.502 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.403 -6.837 1.031 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.529 -5.942 -0.501 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.950 -7.052 -1.699 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.377 -5.325 -1.750 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.816 -5.836 -1.065 1.00 25.00 H new ATOM 395 N GLN A 609 -3.674 -5.281 3.403 1.00 25.00 N ATOM 396 CA GLN A 609 -4.381 -5.368 4.683 1.00 25.00 C ATOM 397 C GLN A 609 -4.555 -3.986 5.296 1.00 25.00 C ATOM 398 O GLN A 609 -5.560 -3.705 5.953 1.00 25.00 O ATOM 399 CB GLN A 609 -3.605 -6.258 5.653 1.00 25.00 C ATOM 400 CG GLN A 609 -3.613 -7.728 5.278 1.00 25.00 C ATOM 401 CD GLN A 609 -5.013 -8.298 5.099 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.891 -8.131 5.952 1.00 25.00 O ATOM 403 NE2 GLN A 609 -5.233 -8.968 3.975 1.00 25.00 N ATOM 0 H GLN A 609 -2.685 -5.523 3.458 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.365 -5.800 4.499 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.573 -5.911 5.703 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.027 -6.145 6.651 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -3.053 -7.862 4.353 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.094 -8.295 6.050 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.482 -9.084 3.295 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -6.154 -9.367 3.791 1.00 25.00 H new ATOM 412 N ALA A 610 -3.553 -3.134 5.063 1.00 25.00 N ATOM 413 CA ALA A 610 -3.576 -1.746 5.524 1.00 25.00 C ATOM 414 C ALA A 610 -4.548 -0.889 4.703 1.00 25.00 C ATOM 415 O ALA A 610 -5.215 -0.007 5.247 1.00 25.00 O ATOM 416 CB ALA A 610 -2.178 -1.167 5.455 1.00 25.00 C ATOM 0 H ALA A 610 -2.707 -3.387 4.552 1.00 25.00 H new ATOM 0 HA ALA A 610 -3.927 -1.737 6.556 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.195 -0.133 5.799 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.511 -1.749 6.091 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.820 -1.202 4.426 1.00 25.00 H new ATOM 422 N ILE A 611 -4.633 -1.173 3.393 1.00 25.00 N ATOM 423 CA ILE A 611 -5.522 -0.437 2.482 1.00 25.00 C ATOM 424 C ILE A 611 -6.974 -0.931 2.647 1.00 25.00 C ATOM 425 O ILE A 611 -7.884 -0.122 2.853 1.00 25.00 O ATOM 426 CB ILE A 611 -5.035 -0.555 0.994 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.721 0.227 0.806 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.091 -0.022 0.024 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.040 0.041 -0.545 1.00 25.00 C ATOM 0 H ILE A 611 -4.094 -1.911 2.940 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.491 0.621 2.743 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.868 -1.610 0.777 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.925 1.288 0.948 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.025 -0.071 1.590 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.726 -0.116 -0.999 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.011 -0.596 0.136 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.290 1.027 0.243 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.125 0.633 -0.576 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.796 -1.012 -0.688 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.711 0.369 -1.339 1.00 25.00 H new ATOM 441 N PHE A 612 -7.177 -2.255 2.551 1.00 25.00 N ATOM 442 CA PHE A 612 -8.468 -2.870 2.840 1.00 25.00 C ATOM 443 C PHE A 612 -8.272 -4.183 3.637 1.00 25.00 C ATOM 444 O PHE A 612 -7.846 -5.191 3.061 1.00 25.00 O ATOM 445 CB PHE A 612 -9.251 -3.127 1.529 1.00 25.00 C ATOM 446 CG PHE A 612 -10.586 -3.805 1.724 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.707 -3.078 2.090 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.702 -5.174 1.554 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.923 -3.705 2.283 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.915 -5.808 1.742 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.056 -5.032 2.058 1.00 25.00 C ATOM 0 H PHE A 612 -6.453 -2.918 2.273 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.053 -2.185 3.453 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.411 -2.175 1.023 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.638 -3.740 0.868 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.630 -2.009 2.226 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.835 -5.753 1.271 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.775 -3.131 2.616 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -11.992 -6.881 1.649 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.029 -5.498 2.119 1.00 25.00 H new ATOM 461 N PRO A 613 -8.572 -4.203 4.979 1.00 25.00 N ATOM 462 CA PRO A 613 -8.541 -5.447 5.778 1.00 25.00 C ATOM 463 C PRO A 613 -9.652 -6.421 5.374 1.00 25.00 C ATOM 464 O PRO A 613 -10.805 -6.014 5.185 1.00 25.00 O ATOM 465 CB PRO A 613 -8.749 -4.972 7.226 1.00 25.00 C ATOM 466 CG PRO A 613 -9.482 -3.681 7.124 1.00 25.00 C ATOM 467 CD PRO A 613 -8.928 -3.044 5.829 1.00 25.00 C ATOM 0 HA PRO A 613 -7.608 -5.991 5.633 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -9.320 -5.702 7.800 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.795 -4.841 7.736 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.559 -3.836 7.064 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -9.299 -3.047 7.992 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.672 -2.410 5.347 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.060 -2.418 6.033 1.00 25.00 H new ATOM 475 N THR A 614 -9.295 -7.703 5.239 1.00 25.00 N ATOM 476 CA THR A 614 -10.237 -8.726 4.794 1.00 25.00 C ATOM 477 C THR A 614 -10.768 -9.584 5.952 1.00 25.00 C ATOM 478 O THR A 614 -10.006 -10.326 6.581 1.00 25.00 O ATOM 479 CB THR A 614 -9.634 -9.663 3.733 1.00 25.00 C ATOM 480 OG1 THR A 614 -8.437 -10.285 4.222 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.357 -8.917 2.440 1.00 25.00 C ATOM 0 H THR A 614 -8.357 -8.054 5.433 1.00 25.00 H new ATOM 0 HA THR A 614 -11.063 -8.168 4.353 1.00 25.00 H new ATOM 0 HB THR A 614 -10.365 -10.444 3.524 1.00 25.00 H new ATOM 0 HG1 THR A 614 -8.548 -10.509 5.170 1.00 25.00 H new ATOM 0 HG21 THR A 614 -8.931 -9.603 1.708 1.00 25.00 H new ATOM 0 HG22 THR A 614 -10.288 -8.504 2.052 1.00 25.00 H new ATOM 0 HG23 THR A 614 -8.653 -8.107 2.631 1.00 25.00 H new ATOM 489 N PRO A 615 -12.099 -9.478 6.258 1.00 25.00 N ATOM 490 CA PRO A 615 -12.800 -10.413 7.167 1.00 25.00 C ATOM 491 C PRO A 615 -12.833 -11.842 6.620 1.00 25.00 C ATOM 492 O PRO A 615 -12.503 -12.802 7.322 1.00 25.00 O ATOM 493 CB PRO A 615 -14.226 -9.863 7.219 1.00 25.00 C ATOM 494 CG PRO A 615 -14.091 -8.398 6.993 1.00 25.00 C ATOM 495 CD PRO A 615 -13.015 -8.415 5.783 1.00 25.00 C ATOM 0 HA PRO A 615 -12.303 -10.472 8.136 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -14.853 -10.323 6.455 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -14.693 -10.071 8.182 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -15.033 -7.929 6.710 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -13.724 -7.870 7.873 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -13.472 -8.659 4.824 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -12.511 -7.456 5.662 1.00 25.00 H new ATOM 503 N ASP A 616 -13.251 -11.951 5.356 1.00 25.00 N ATOM 504 CA ASP A 616 -13.342 -13.233 4.653 1.00 25.00 C ATOM 505 C ASP A 616 -12.223 -13.371 3.608 1.00 25.00 C ATOM 506 O ASP A 616 -12.112 -12.528 2.710 1.00 25.00 O ATOM 507 CB ASP A 616 -14.713 -13.380 3.978 1.00 25.00 C ATOM 508 CG ASP A 616 -14.982 -14.794 3.489 1.00 25.00 C ATOM 509 OD1 ASP A 616 -14.010 -15.558 3.315 1.00 25.00 O ATOM 510 OD2 ASP A 616 -16.167 -15.135 3.282 1.00 25.00 O ATOM 0 H ASP A 616 -13.536 -11.151 4.791 1.00 25.00 H new ATOM 0 HA ASP A 616 -13.223 -14.027 5.390 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -15.492 -13.090 4.683 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -14.773 -12.692 3.135 1.00 25.00 H new ATOM 515 N PRO A 617 -11.359 -14.436 3.712 1.00 25.00 N ATOM 516 CA PRO A 617 -10.288 -14.712 2.718 1.00 25.00 C ATOM 517 C PRO A 617 -10.803 -14.990 1.289 1.00 25.00 C ATOM 518 O PRO A 617 -10.012 -15.038 0.342 1.00 25.00 O ATOM 519 CB PRO A 617 -9.595 -15.966 3.278 1.00 25.00 C ATOM 520 CG PRO A 617 -10.638 -16.645 4.102 1.00 25.00 C ATOM 521 CD PRO A 617 -11.317 -15.431 4.819 1.00 25.00 C ATOM 0 HA PRO A 617 -9.640 -13.843 2.603 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -9.242 -16.614 2.476 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -8.726 -15.701 3.880 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -11.344 -17.205 3.488 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -10.204 -17.349 4.812 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -12.312 -15.676 5.192 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -10.736 -15.077 5.670 1.00 25.00 H new ATOM 529 N ALA A 618 -12.127 -15.165 1.152 1.00 25.00 N ATOM 530 CA ALA A 618 -12.759 -15.462 -0.144 1.00 25.00 C ATOM 531 C ALA A 618 -12.908 -14.211 -1.027 1.00 25.00 C ATOM 532 O ALA A 618 -13.270 -14.315 -2.203 1.00 25.00 O ATOM 533 CB ALA A 618 -14.118 -16.112 0.083 1.00 25.00 C ATOM 0 H ALA A 618 -12.785 -15.105 1.929 1.00 25.00 H new ATOM 0 HA ALA A 618 -12.104 -16.151 -0.677 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -14.582 -16.330 -0.879 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -13.989 -17.039 0.642 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -14.756 -15.433 0.648 1.00 25.00 H new ATOM 539 N ALA A 619 -12.616 -13.035 -0.450 1.00 25.00 N ATOM 540 CA ALA A 619 -12.705 -11.757 -1.170 1.00 25.00 C ATOM 541 C ALA A 619 -11.428 -11.445 -1.960 1.00 25.00 C ATOM 542 O ALA A 619 -11.401 -10.504 -2.759 1.00 25.00 O ATOM 543 CB ALA A 619 -12.985 -10.629 -0.191 1.00 25.00 C ATOM 0 H ALA A 619 -12.314 -12.944 0.520 1.00 25.00 H new ATOM 0 HA ALA A 619 -13.523 -11.845 -1.885 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -13.050 -9.685 -0.732 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -13.928 -10.818 0.322 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -12.179 -10.573 0.540 1.00 25.00 H new ATOM 549 N LEU A 620 -10.379 -12.251 -1.737 1.00 25.00 N ATOM 550 CA LEU A 620 -9.071 -12.025 -2.352 1.00 25.00 C ATOM 551 C LEU A 620 -8.994 -12.576 -3.790 1.00 25.00 C ATOM 552 O LEU A 620 -7.948 -12.482 -4.442 1.00 25.00 O ATOM 553 CB LEU A 620 -7.975 -12.669 -1.484 1.00 25.00 C ATOM 554 CG LEU A 620 -7.607 -11.930 -0.182 1.00 25.00 C ATOM 555 CD1 LEU A 620 -6.672 -12.784 0.660 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.952 -10.581 -0.471 1.00 25.00 C ATOM 0 H LEU A 620 -10.417 -13.070 -1.130 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.918 -10.947 -2.412 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -8.294 -13.679 -1.225 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -7.073 -12.765 -2.089 1.00 25.00 H new ATOM 0 HG LEU A 620 -8.530 -11.749 0.369 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -6.419 -12.251 1.577 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -7.164 -13.724 0.910 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -5.761 -12.990 0.097 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.706 -10.087 0.469 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -6.041 -10.735 -1.049 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.641 -9.956 -1.039 1.00 25.00 H new ATOM 568 N LYS A 621 -10.111 -13.136 -4.277 1.00 25.00 N ATOM 569 CA LYS A 621 -10.184 -13.703 -5.630 1.00 25.00 C ATOM 570 C LYS A 621 -10.961 -12.758 -6.572 1.00 25.00 C ATOM 571 O LYS A 621 -11.353 -13.142 -7.680 1.00 25.00 O ATOM 572 CB LYS A 621 -10.840 -15.101 -5.567 1.00 25.00 C ATOM 573 CG LYS A 621 -10.052 -16.173 -4.797 1.00 25.00 C ATOM 574 CD LYS A 621 -10.768 -17.516 -4.762 1.00 25.00 C ATOM 575 CE LYS A 621 -10.017 -18.498 -3.898 1.00 25.00 C ATOM 576 NZ LYS A 621 -10.716 -19.809 -3.797 1.00 25.00 N ATOM 0 H LYS A 621 -10.981 -13.208 -3.749 1.00 25.00 H new ATOM 0 HA LYS A 621 -9.177 -13.810 -6.033 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -11.824 -15.000 -5.109 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -10.998 -15.454 -6.586 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -9.073 -16.300 -5.258 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -9.882 -15.830 -3.777 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -11.779 -17.385 -4.377 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -10.861 -17.911 -5.774 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -9.019 -18.651 -4.309 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -9.890 -18.078 -2.900 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -10.164 -20.451 -3.194 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -11.659 -19.669 -3.381 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -10.815 -20.224 -4.746 1.00 25.00 H new ATOM 590 N ASP A 622 -11.156 -11.512 -6.117 1.00 25.00 N ATOM 591 CA ASP A 622 -11.917 -10.506 -6.861 1.00 25.00 C ATOM 592 C ASP A 622 -10.991 -9.696 -7.784 1.00 25.00 C ATOM 593 O ASP A 622 -9.791 -9.569 -7.526 1.00 25.00 O ATOM 594 CB ASP A 622 -12.638 -9.584 -5.864 1.00 25.00 C ATOM 595 CG ASP A 622 -13.864 -10.228 -5.234 1.00 25.00 C ATOM 596 OD1 ASP A 622 -14.306 -11.282 -5.736 1.00 25.00 O ATOM 597 OD2 ASP A 622 -14.378 -9.675 -4.239 1.00 25.00 O ATOM 0 H ASP A 622 -10.791 -11.177 -5.226 1.00 25.00 H new ATOM 0 HA ASP A 622 -12.655 -11.003 -7.490 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.942 -9.295 -5.077 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -12.938 -8.669 -6.376 1.00 25.00 H new ATOM 602 N ARG A 623 -11.582 -9.152 -8.860 1.00 25.00 N ATOM 603 CA ARG A 623 -10.841 -8.416 -9.906 1.00 25.00 C ATOM 604 C ARG A 623 -10.537 -6.993 -9.454 1.00 25.00 C ATOM 605 O ARG A 623 -9.503 -6.419 -9.806 1.00 25.00 O ATOM 606 CB ARG A 623 -11.657 -8.351 -11.210 1.00 25.00 C ATOM 607 CG ARG A 623 -12.004 -9.707 -11.793 1.00 25.00 C ATOM 608 CD ARG A 623 -10.877 -10.269 -12.652 1.00 25.00 C ATOM 609 NE ARG A 623 -9.786 -10.825 -11.842 1.00 25.00 N ATOM 610 CZ ARG A 623 -9.833 -12.002 -11.200 1.00 25.00 C ATOM 611 NH1 ARG A 623 -10.906 -12.789 -11.274 1.00 25.00 N ATOM 612 NH2 ARG A 623 -8.792 -12.396 -10.479 1.00 25.00 N ATOM 0 H ARG A 623 -12.586 -9.208 -9.032 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.908 -8.952 -10.082 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.580 -7.802 -11.021 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -11.094 -7.783 -11.950 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -12.224 -10.403 -10.984 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.909 -9.621 -12.394 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -11.274 -11.046 -13.306 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.485 -9.481 -13.295 1.00 25.00 H new ATOM 0 HE ARG A 623 -8.930 -10.276 -11.762 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -11.713 -12.500 -11.827 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -10.920 -13.680 -10.778 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.963 -11.805 -10.415 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -8.821 -13.290 -9.988 1.00 25.00 H new ATOM 626 N ARG A 624 -11.476 -6.441 -8.680 1.00 25.00 N ATOM 627 CA ARG A 624 -11.366 -5.082 -8.122 1.00 25.00 C ATOM 628 C ARG A 624 -10.287 -5.004 -7.015 1.00 25.00 C ATOM 629 O ARG A 624 -9.793 -3.918 -6.699 1.00 25.00 O ATOM 630 CB ARG A 624 -12.742 -4.642 -7.578 1.00 25.00 C ATOM 631 CG ARG A 624 -13.775 -4.236 -8.642 1.00 25.00 C ATOM 632 CD ARG A 624 -15.025 -3.596 -8.038 1.00 25.00 C ATOM 633 NE ARG A 624 -16.021 -3.239 -9.061 1.00 25.00 N ATOM 634 CZ ARG A 624 -16.042 -2.081 -9.738 1.00 25.00 C ATOM 635 NH1 ARG A 624 -15.121 -1.141 -9.529 1.00 25.00 N ATOM 636 NH2 ARG A 624 -16.996 -1.866 -10.636 1.00 25.00 N ATOM 0 H ARG A 624 -12.337 -6.922 -8.420 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.056 -4.404 -8.917 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.157 -5.458 -6.986 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.594 -3.801 -6.901 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.315 -3.537 -9.340 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.064 -5.116 -9.216 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.474 -4.285 -7.323 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -14.741 -2.702 -7.484 1.00 25.00 H new ATOM 0 HE ARG A 624 -16.749 -3.922 -9.271 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -14.382 -1.295 -8.843 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -15.155 -0.268 -10.055 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -17.706 -2.579 -10.807 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -17.019 -0.988 -11.155 1.00 25.00 H new ATOM 650 N MET A 625 -9.936 -6.167 -6.447 1.00 25.00 N ATOM 651 CA MET A 625 -8.883 -6.272 -5.425 1.00 25.00 C ATOM 652 C MET A 625 -7.497 -6.328 -6.088 1.00 25.00 C ATOM 653 O MET A 625 -6.533 -5.749 -5.579 1.00 25.00 O ATOM 654 CB MET A 625 -9.127 -7.538 -4.579 1.00 25.00 C ATOM 655 CG MET A 625 -8.140 -7.783 -3.429 1.00 25.00 C ATOM 656 SD MET A 625 -8.357 -6.670 -2.020 1.00 25.00 S ATOM 657 CE MET A 625 -9.731 -7.420 -1.147 1.00 25.00 C ATOM 0 H MET A 625 -10.372 -7.059 -6.682 1.00 25.00 H new ATOM 0 HA MET A 625 -8.914 -5.394 -4.780 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.133 -7.483 -4.162 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.103 -8.403 -5.242 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.247 -8.812 -3.085 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.124 -7.678 -3.808 1.00 25.00 H new ATOM 0 HE1 MET A 625 -10.451 -6.650 -0.872 1.00 25.00 H new ATOM 0 HE2 MET A 625 -10.214 -8.155 -1.791 1.00 25.00 H new ATOM 0 HE3 MET A 625 -9.365 -7.913 -0.246 1.00 25.00 H new ATOM 667 N GLU A 626 -7.427 -7.031 -7.228 1.00 25.00 N ATOM 668 CA GLU A 626 -6.188 -7.206 -8.001 1.00 25.00 C ATOM 669 C GLU A 626 -5.647 -5.861 -8.540 1.00 25.00 C ATOM 670 O GLU A 626 -4.455 -5.741 -8.836 1.00 25.00 O ATOM 671 CB GLU A 626 -6.453 -8.192 -9.159 1.00 25.00 C ATOM 672 CG GLU A 626 -5.665 -9.508 -9.100 1.00 25.00 C ATOM 673 CD GLU A 626 -5.961 -10.456 -10.253 1.00 25.00 C ATOM 674 OE1 GLU A 626 -6.154 -9.968 -11.387 1.00 25.00 O ATOM 675 OE2 GLU A 626 -5.997 -11.682 -10.021 1.00 25.00 O ATOM 0 H GLU A 626 -8.234 -7.497 -7.642 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.421 -7.610 -7.340 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -7.517 -8.427 -9.177 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.221 -7.692 -10.099 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.599 -9.282 -9.093 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -5.890 -10.013 -8.160 1.00 25.00 H new ATOM 682 N ASN A 627 -6.530 -4.850 -8.635 1.00 25.00 N ATOM 683 CA ASN A 627 -6.177 -3.535 -9.203 1.00 25.00 C ATOM 684 C ASN A 627 -5.210 -2.750 -8.307 1.00 25.00 C ATOM 685 O ASN A 627 -4.257 -2.149 -8.814 1.00 25.00 O ATOM 686 CB ASN A 627 -7.442 -2.698 -9.462 1.00 25.00 C ATOM 687 CG ASN A 627 -8.286 -3.216 -10.620 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.803 -3.944 -11.491 1.00 25.00 O ATOM 689 ND2 ASN A 627 -9.558 -2.836 -10.633 1.00 25.00 N ATOM 0 H ASN A 627 -7.499 -4.919 -8.324 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.668 -3.729 -10.147 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -8.050 -2.683 -8.557 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -7.151 -1.668 -9.667 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -10.176 -3.147 -11.383 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.918 -2.233 -9.893 1.00 25.00 H new ATOM 696 N LEU A 628 -5.452 -2.753 -6.985 1.00 25.00 N ATOM 697 CA LEU A 628 -4.576 -2.037 -6.048 1.00 25.00 C ATOM 698 C LEU A 628 -3.389 -2.912 -5.619 1.00 25.00 C ATOM 699 O LEU A 628 -2.363 -2.397 -5.168 1.00 25.00 O ATOM 700 CB LEU A 628 -5.367 -1.456 -4.848 1.00 25.00 C ATOM 701 CG LEU A 628 -6.691 -0.732 -5.124 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.805 -1.334 -4.282 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.535 0.740 -4.808 1.00 25.00 C ATOM 0 H LEU A 628 -6.236 -3.237 -6.548 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.156 -1.178 -6.571 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.575 -2.276 -4.160 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.711 -0.760 -4.325 1.00 25.00 H new ATOM 0 HG LEU A 628 -6.952 -0.849 -6.176 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.739 -0.811 -4.487 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.918 -2.390 -4.529 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -7.557 -1.233 -3.225 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -7.475 1.256 -5.004 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -6.267 0.860 -3.758 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.751 1.165 -5.434 1.00 25.00 H new ATOM 715 N VAL A 629 -3.552 -4.244 -5.751 1.00 25.00 N ATOM 716 CA VAL A 629 -2.432 -5.203 -5.633 1.00 25.00 C ATOM 717 C VAL A 629 -1.328 -4.824 -6.637 1.00 25.00 C ATOM 718 O VAL A 629 -0.138 -5.016 -6.381 1.00 25.00 O ATOM 719 CB VAL A 629 -2.925 -6.666 -5.897 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.777 -7.628 -6.222 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.718 -7.188 -4.705 1.00 25.00 C ATOM 0 H VAL A 629 -4.453 -4.683 -5.940 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.033 -5.158 -4.620 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.570 -6.623 -6.774 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.177 -8.627 -6.396 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.257 -7.285 -7.116 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.079 -7.657 -5.385 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.052 -8.206 -4.908 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.086 -7.184 -3.817 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.585 -6.549 -4.536 1.00 25.00 H new ATOM 731 N ALA A 630 -1.772 -4.273 -7.768 1.00 25.00 N ATOM 732 CA ALA A 630 -0.897 -3.805 -8.830 1.00 25.00 C ATOM 733 C ALA A 630 -0.338 -2.406 -8.523 1.00 25.00 C ATOM 734 O ALA A 630 0.668 -1.991 -9.103 1.00 25.00 O ATOM 735 CB ALA A 630 -1.673 -3.823 -10.134 1.00 25.00 C ATOM 0 H ALA A 630 -2.763 -4.140 -7.969 1.00 25.00 H new ATOM 0 HA ALA A 630 -0.035 -4.467 -8.912 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -1.032 -3.474 -10.944 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -2.005 -4.839 -10.346 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.540 -3.168 -10.050 1.00 25.00 H new ATOM 741 N TYR A 631 -1.008 -1.692 -7.600 1.00 25.00 N ATOM 742 CA TYR A 631 -0.511 -0.420 -7.057 1.00 25.00 C ATOM 743 C TYR A 631 0.589 -0.673 -6.015 1.00 25.00 C ATOM 744 O TYR A 631 1.576 0.067 -5.952 1.00 25.00 O ATOM 745 CB TYR A 631 -1.688 0.393 -6.447 1.00 25.00 C ATOM 746 CG TYR A 631 -2.747 0.883 -7.438 1.00 25.00 C ATOM 747 CD1 TYR A 631 -2.498 0.853 -8.808 1.00 25.00 C ATOM 748 CD2 TYR A 631 -3.992 1.342 -7.008 1.00 25.00 C ATOM 749 CE1 TYR A 631 -3.458 1.266 -9.716 1.00 25.00 C ATOM 750 CE2 TYR A 631 -4.951 1.756 -7.911 1.00 25.00 C ATOM 751 CZ TYR A 631 -4.664 1.833 -9.220 1.00 25.00 C ATOM 752 OH TYR A 631 -5.636 2.127 -10.163 1.00 25.00 O ATOM 0 H TYR A 631 -1.906 -1.982 -7.212 1.00 25.00 H new ATOM 0 HA TYR A 631 -0.074 0.165 -7.866 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.180 -0.225 -5.696 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.276 1.258 -5.928 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -1.542 0.502 -9.167 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -4.210 1.374 -5.951 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -3.294 1.160 -10.778 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -5.938 2.020 -7.562 1.00 25.00 H new ATOM 0 HH TYR A 631 -6.420 2.509 -9.716 1.00 25.00 H new ATOM 762 N ALA A 632 0.405 -1.727 -5.211 1.00 25.00 N ATOM 763 CA ALA A 632 1.329 -2.061 -4.128 1.00 25.00 C ATOM 764 C ALA A 632 2.561 -2.796 -4.651 1.00 25.00 C ATOM 765 O ALA A 632 3.677 -2.510 -4.228 1.00 25.00 O ATOM 766 CB ALA A 632 0.631 -2.918 -3.089 1.00 25.00 C ATOM 0 H ALA A 632 -0.385 -2.367 -5.294 1.00 25.00 H new ATOM 0 HA ALA A 632 1.655 -1.126 -3.673 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.330 -3.160 -2.288 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.218 -2.372 -2.678 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.279 -3.839 -3.554 1.00 25.00 H new ATOM 772 N LYS A 633 2.337 -3.718 -5.605 1.00 25.00 N ATOM 773 CA LYS A 633 3.374 -4.625 -6.132 1.00 25.00 C ATOM 774 C LYS A 633 4.637 -3.889 -6.627 1.00 25.00 C ATOM 775 O LYS A 633 5.729 -4.466 -6.648 1.00 25.00 O ATOM 776 CB LYS A 633 2.775 -5.449 -7.284 1.00 25.00 C ATOM 777 CG LYS A 633 3.676 -6.559 -7.834 1.00 25.00 C ATOM 778 CD LYS A 633 4.111 -7.538 -6.747 1.00 25.00 C ATOM 779 CE LYS A 633 4.853 -8.741 -7.320 1.00 25.00 C ATOM 780 NZ LYS A 633 5.372 -9.649 -6.253 1.00 25.00 N ATOM 0 H LYS A 633 1.423 -3.856 -6.036 1.00 25.00 H new ATOM 0 HA LYS A 633 3.690 -5.267 -5.310 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.843 -5.897 -6.941 1.00 25.00 H new ATOM 0 HB3 LYS A 633 2.522 -4.772 -8.100 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.146 -7.100 -8.618 1.00 25.00 H new ATOM 0 HG3 LYS A 633 4.558 -6.114 -8.295 1.00 25.00 H new ATOM 0 HD2 LYS A 633 4.753 -7.023 -6.033 1.00 25.00 H new ATOM 0 HD3 LYS A 633 3.234 -7.882 -6.198 1.00 25.00 H new ATOM 0 HE2 LYS A 633 4.184 -9.299 -7.975 1.00 25.00 H new ATOM 0 HE3 LYS A 633 5.684 -8.394 -7.934 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 5.868 -10.451 -6.691 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 6.031 -9.126 -5.642 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 4.578 -10.003 -5.682 1.00 25.00 H new ATOM 794 N LYS A 634 4.473 -2.617 -7.016 1.00 25.00 N ATOM 795 CA LYS A 634 5.561 -1.805 -7.562 1.00 25.00 C ATOM 796 C LYS A 634 6.380 -1.132 -6.459 1.00 25.00 C ATOM 797 O LYS A 634 7.600 -0.994 -6.578 1.00 25.00 O ATOM 798 CB LYS A 634 5.012 -0.696 -8.465 1.00 25.00 C ATOM 799 CG LYS A 634 6.054 0.284 -8.989 1.00 25.00 C ATOM 800 CD LYS A 634 7.089 -0.387 -9.896 1.00 25.00 C ATOM 801 CE LYS A 634 8.136 0.593 -10.428 1.00 25.00 C ATOM 802 NZ LYS A 634 9.017 -0.033 -11.451 1.00 25.00 N ATOM 0 H LYS A 634 3.581 -2.125 -6.960 1.00 25.00 H new ATOM 0 HA LYS A 634 6.196 -2.487 -8.127 1.00 25.00 H new ATOM 0 HB2 LYS A 634 4.509 -1.157 -9.315 1.00 25.00 H new ATOM 0 HB3 LYS A 634 4.257 -0.138 -7.911 1.00 25.00 H new ATOM 0 HG2 LYS A 634 5.554 1.080 -9.541 1.00 25.00 H new ATOM 0 HG3 LYS A 634 6.563 0.752 -8.147 1.00 25.00 H new ATOM 0 HD2 LYS A 634 7.590 -1.181 -9.342 1.00 25.00 H new ATOM 0 HD3 LYS A 634 6.578 -0.857 -10.736 1.00 25.00 H new ATOM 0 HE2 LYS A 634 7.635 1.458 -10.862 1.00 25.00 H new ATOM 0 HE3 LYS A 634 8.744 0.958 -9.600 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 9.712 0.665 -11.785 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 9.515 -0.844 -11.031 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 8.441 -0.359 -12.253 1.00 25.00 H new ATOM 816 N VAL A 635 5.689 -0.732 -5.381 1.00 25.00 N ATOM 817 CA VAL A 635 6.233 0.220 -4.403 1.00 25.00 C ATOM 818 C VAL A 635 7.363 -0.375 -3.526 1.00 25.00 C ATOM 819 O VAL A 635 8.177 0.372 -2.989 1.00 25.00 O ATOM 820 CB VAL A 635 5.100 0.871 -3.528 1.00 25.00 C ATOM 821 CG1 VAL A 635 3.994 1.446 -4.414 1.00 25.00 C ATOM 822 CG2 VAL A 635 4.497 -0.088 -2.498 1.00 25.00 C ATOM 0 H VAL A 635 4.746 -1.056 -5.164 1.00 25.00 H new ATOM 0 HA VAL A 635 6.697 1.013 -4.989 1.00 25.00 H new ATOM 0 HB VAL A 635 5.579 1.674 -2.968 1.00 25.00 H new ATOM 0 HG11 VAL A 635 3.221 1.891 -3.788 1.00 25.00 H new ATOM 0 HG12 VAL A 635 4.413 2.209 -5.070 1.00 25.00 H new ATOM 0 HG13 VAL A 635 3.559 0.649 -5.016 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.722 0.428 -1.930 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.061 -0.945 -3.011 1.00 25.00 H new ATOM 0 HG23 VAL A 635 5.278 -0.430 -1.819 1.00 25.00 H new ATOM 832 N GLU A 636 7.419 -1.715 -3.413 1.00 25.00 N ATOM 833 CA GLU A 636 8.463 -2.408 -2.619 1.00 25.00 C ATOM 834 C GLU A 636 9.849 -2.270 -3.273 1.00 25.00 C ATOM 835 O GLU A 636 10.848 -2.046 -2.584 1.00 25.00 O ATOM 836 CB GLU A 636 8.154 -3.917 -2.475 1.00 25.00 C ATOM 837 CG GLU A 636 8.218 -4.749 -3.759 1.00 25.00 C ATOM 838 CD GLU A 636 7.129 -5.795 -3.854 1.00 25.00 C ATOM 839 OE1 GLU A 636 6.262 -5.832 -2.955 1.00 25.00 O ATOM 840 OE2 GLU A 636 7.134 -6.566 -4.835 1.00 25.00 O ATOM 0 H GLU A 636 6.754 -2.345 -3.861 1.00 25.00 H new ATOM 0 HA GLU A 636 8.466 -1.934 -1.637 1.00 25.00 H new ATOM 0 HB2 GLU A 636 8.855 -4.342 -1.757 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.157 -4.023 -2.048 1.00 25.00 H new ATOM 0 HG2 GLU A 636 8.147 -4.083 -4.619 1.00 25.00 H new ATOM 0 HG3 GLU A 636 9.189 -5.241 -3.816 1.00 25.00 H new ATOM 847 N GLY A 637 9.884 -2.404 -4.613 1.00 25.00 N ATOM 848 CA GLY A 637 11.140 -2.376 -5.364 1.00 25.00 C ATOM 849 C GLY A 637 11.692 -0.974 -5.585 1.00 25.00 C ATOM 850 O GLY A 637 12.890 -0.811 -5.828 1.00 25.00 O ATOM 0 H GLY A 637 9.054 -2.532 -5.191 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.884 -2.970 -4.833 1.00 25.00 H new ATOM 0 HA3 GLY A 637 10.985 -2.852 -6.332 1.00 25.00 H new ATOM 854 N ASP A 638 10.813 0.036 -5.498 1.00 25.00 N ATOM 855 CA ASP A 638 11.216 1.445 -5.619 1.00 25.00 C ATOM 856 C ASP A 638 11.843 1.959 -4.317 1.00 25.00 C ATOM 857 O ASP A 638 12.550 2.972 -4.321 1.00 25.00 O ATOM 858 CB ASP A 638 10.017 2.322 -6.007 1.00 25.00 C ATOM 859 CG ASP A 638 9.545 2.079 -7.429 1.00 25.00 C ATOM 860 OD1 ASP A 638 10.273 1.403 -8.188 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.453 2.566 -7.786 1.00 25.00 O ATOM 0 H ASP A 638 9.814 -0.098 -5.344 1.00 25.00 H new ATOM 0 HA ASP A 638 11.967 1.505 -6.407 1.00 25.00 H new ATOM 0 HB2 ASP A 638 9.194 2.130 -5.318 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.289 3.371 -5.894 1.00 25.00 H new ATOM 866 N MET A 639 11.579 1.246 -3.208 1.00 25.00 N ATOM 867 CA MET A 639 12.135 1.597 -1.892 1.00 25.00 C ATOM 868 C MET A 639 13.609 1.185 -1.776 1.00 25.00 C ATOM 869 O MET A 639 14.348 1.715 -0.944 1.00 25.00 O ATOM 870 CB MET A 639 11.339 0.931 -0.757 1.00 25.00 C ATOM 871 CG MET A 639 9.864 1.295 -0.714 1.00 25.00 C ATOM 872 SD MET A 639 8.966 0.609 0.692 1.00 25.00 S ATOM 873 CE MET A 639 9.631 -1.052 0.699 1.00 25.00 C ATOM 0 H MET A 639 10.981 0.420 -3.199 1.00 25.00 H new ATOM 0 HA MET A 639 12.060 2.680 -1.799 1.00 25.00 H new ATOM 0 HB2 MET A 639 11.429 -0.151 -0.855 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.794 1.204 0.195 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.771 2.381 -0.694 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.391 0.952 -1.634 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.871 -1.747 1.056 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.930 -1.329 -0.312 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.498 -1.094 1.358 1.00 25.00 H new ATOM 883 N TYR A 640 14.019 0.236 -2.634 1.00 25.00 N ATOM 884 CA TYR A 640 15.375 -0.330 -2.622 1.00 25.00 C ATOM 885 C TYR A 640 16.407 0.663 -3.179 1.00 25.00 C ATOM 886 O TYR A 640 17.568 0.663 -2.759 1.00 25.00 O ATOM 887 CB TYR A 640 15.384 -1.624 -3.454 1.00 25.00 C ATOM 888 CG TYR A 640 16.765 -2.154 -3.793 1.00 25.00 C ATOM 889 CD1 TYR A 640 17.198 -3.393 -3.332 1.00 25.00 C ATOM 890 CD2 TYR A 640 17.642 -1.401 -4.567 1.00 25.00 C ATOM 891 CE1 TYR A 640 18.462 -3.865 -3.632 1.00 25.00 C ATOM 892 CE2 TYR A 640 18.906 -1.867 -4.872 1.00 25.00 C ATOM 893 CZ TYR A 640 19.283 -3.155 -4.429 1.00 25.00 C ATOM 894 OH TYR A 640 20.570 -3.558 -4.704 1.00 25.00 O ATOM 0 H TYR A 640 13.417 -0.160 -3.356 1.00 25.00 H new ATOM 0 HA TYR A 640 15.653 -0.545 -1.590 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.839 -2.394 -2.908 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.841 -1.446 -4.382 1.00 25.00 H new ATOM 0 HD1 TYR A 640 16.535 -3.996 -2.729 1.00 25.00 H new ATOM 0 HD2 TYR A 640 17.329 -0.435 -4.936 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.793 -4.809 -3.225 1.00 25.00 H new ATOM 0 HE2 TYR A 640 19.594 -1.258 -5.439 1.00 25.00 H new ATOM 0 HH TYR A 640 20.996 -2.907 -5.300 1.00 25.00 H new ATOM 904 N GLU A 641 15.965 1.505 -4.125 1.00 25.00 N ATOM 905 CA GLU A 641 16.831 2.509 -4.761 1.00 25.00 C ATOM 906 C GLU A 641 16.843 3.835 -3.983 1.00 25.00 C ATOM 907 O GLU A 641 17.781 4.626 -4.117 1.00 25.00 O ATOM 908 CB GLU A 641 16.380 2.766 -6.212 1.00 25.00 C ATOM 909 CG GLU A 641 16.518 1.570 -7.147 1.00 25.00 C ATOM 910 CD GLU A 641 16.058 1.855 -8.569 1.00 25.00 C ATOM 911 OE1 GLU A 641 15.720 3.022 -8.862 1.00 25.00 O ATOM 912 OE2 GLU A 641 16.036 0.912 -9.387 1.00 25.00 O ATOM 0 H GLU A 641 15.005 1.510 -4.469 1.00 25.00 H new ATOM 0 HA GLU A 641 17.844 2.107 -4.757 1.00 25.00 H new ATOM 0 HB2 GLU A 641 15.337 3.083 -6.202 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.961 3.594 -6.617 1.00 25.00 H new ATOM 0 HG2 GLU A 641 17.561 1.253 -7.168 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.940 0.737 -6.747 1.00 25.00 H new ATOM 919 N SER A 642 15.801 4.061 -3.169 1.00 25.00 N ATOM 920 CA SER A 642 15.640 5.318 -2.427 1.00 25.00 C ATOM 921 C SER A 642 16.176 5.219 -0.993 1.00 25.00 C ATOM 922 O SER A 642 16.735 6.187 -0.472 1.00 25.00 O ATOM 923 CB SER A 642 14.164 5.729 -2.406 1.00 25.00 C ATOM 924 OG SER A 642 13.357 4.710 -1.840 1.00 25.00 O ATOM 0 H SER A 642 15.054 3.385 -3.008 1.00 25.00 H new ATOM 0 HA SER A 642 16.227 6.078 -2.943 1.00 25.00 H new ATOM 0 HB2 SER A 642 14.048 6.649 -1.833 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.828 5.941 -3.421 1.00 25.00 H new ATOM 0 HG SER A 642 12.449 4.772 -2.204 1.00 25.00 H new ATOM 930 N ALA A 643 16.002 4.045 -0.365 1.00 25.00 N ATOM 931 CA ALA A 643 16.438 3.825 1.020 1.00 25.00 C ATOM 932 C ALA A 643 17.894 3.357 1.095 1.00 25.00 C ATOM 933 O ALA A 643 18.353 2.584 0.249 1.00 25.00 O ATOM 934 CB ALA A 643 15.530 2.812 1.697 1.00 25.00 C ATOM 0 H ALA A 643 15.561 3.233 -0.797 1.00 25.00 H new ATOM 0 HA ALA A 643 16.372 4.780 1.541 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.861 2.655 2.724 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.506 3.185 1.699 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.571 1.867 1.155 1.00 25.00 H new ATOM 940 N ASN A 644 18.609 3.845 2.119 1.00 25.00 N ATOM 941 CA ASN A 644 20.005 3.463 2.361 1.00 25.00 C ATOM 942 C ASN A 644 20.113 2.540 3.588 1.00 25.00 C ATOM 943 O ASN A 644 21.097 1.809 3.739 1.00 25.00 O ATOM 944 CB ASN A 644 20.864 4.724 2.568 1.00 25.00 C ATOM 945 CG ASN A 644 21.013 5.567 1.308 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.719 5.187 0.374 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.363 6.726 1.290 1.00 25.00 N ATOM 0 H ASN A 644 18.238 4.510 2.797 1.00 25.00 H new ATOM 0 HA ASN A 644 20.372 2.919 1.491 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.418 5.334 3.354 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.853 4.428 2.917 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.438 7.340 0.479 1.00 25.00 H new ATOM 0 HD22 ASN A 644 19.789 7.001 2.087 1.00 25.00 H new ATOM 954 N SER A 645 19.090 2.582 4.451 1.00 25.00 N ATOM 955 CA SER A 645 19.060 1.790 5.683 1.00 25.00 C ATOM 956 C SER A 645 17.714 1.071 5.811 1.00 25.00 C ATOM 957 O SER A 645 16.712 1.510 5.238 1.00 25.00 O ATOM 958 CB SER A 645 19.295 2.704 6.898 1.00 25.00 C ATOM 959 OG SER A 645 18.208 3.593 7.098 1.00 25.00 O ATOM 0 H SER A 645 18.264 3.164 4.314 1.00 25.00 H new ATOM 0 HA SER A 645 19.853 1.043 5.647 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.437 2.095 7.791 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.212 3.275 6.753 1.00 25.00 H new ATOM 0 HG SER A 645 18.387 4.159 7.878 1.00 25.00 H new ATOM 965 N ARG A 646 17.706 -0.037 6.573 1.00 25.00 N ATOM 966 CA ARG A 646 16.527 -0.913 6.681 1.00 25.00 C ATOM 967 C ARG A 646 15.419 -0.291 7.548 1.00 25.00 C ATOM 968 O ARG A 646 14.261 -0.715 7.474 1.00 25.00 O ATOM 969 CB ARG A 646 16.936 -2.285 7.237 1.00 25.00 C ATOM 970 CG ARG A 646 17.366 -2.252 8.706 1.00 25.00 C ATOM 971 CD ARG A 646 17.894 -3.600 9.185 1.00 25.00 C ATOM 972 NE ARG A 646 18.263 -3.587 10.610 1.00 25.00 N ATOM 973 CZ ARG A 646 17.396 -3.701 11.628 1.00 25.00 C ATOM 974 NH1 ARG A 646 16.092 -3.864 11.410 1.00 25.00 N ATOM 975 NH2 ARG A 646 17.844 -3.660 12.875 1.00 25.00 N ATOM 0 H ARG A 646 18.506 -0.347 7.125 1.00 25.00 H new ATOM 0 HA ARG A 646 16.119 -1.038 5.678 1.00 25.00 H new ATOM 0 HB2 ARG A 646 16.099 -2.975 7.128 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.755 -2.681 6.637 1.00 25.00 H new ATOM 0 HG2 ARG A 646 18.138 -1.494 8.839 1.00 25.00 H new ATOM 0 HG3 ARG A 646 16.518 -1.956 9.324 1.00 25.00 H new ATOM 0 HD2 ARG A 646 17.135 -4.364 9.016 1.00 25.00 H new ATOM 0 HD3 ARG A 646 18.764 -3.878 8.590 1.00 25.00 H new ATOM 0 HE ARG A 646 19.251 -3.484 10.841 1.00 25.00 H new ATOM 0 HH11 ARG A 646 15.736 -3.904 10.455 1.00 25.00 H new ATOM 0 HH12 ARG A 646 15.450 -3.949 12.198 1.00 25.00 H new ATOM 0 HH21 ARG A 646 18.841 -3.543 13.055 1.00 25.00 H new ATOM 0 HH22 ARG A 646 17.192 -3.746 13.654 1.00 25.00 H new ATOM 989 N ASP A 647 15.786 0.705 8.369 1.00 25.00 N ATOM 990 CA ASP A 647 14.819 1.449 9.188 1.00 25.00 C ATOM 991 C ASP A 647 14.122 2.539 8.350 1.00 25.00 C ATOM 992 O ASP A 647 13.016 2.976 8.685 1.00 25.00 O ATOM 993 CB ASP A 647 15.528 2.066 10.406 1.00 25.00 C ATOM 994 CG ASP A 647 15.935 1.037 11.449 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.394 -0.088 11.418 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.798 1.357 12.294 1.00 25.00 O ATOM 0 H ASP A 647 16.751 1.014 8.483 1.00 25.00 H new ATOM 0 HA ASP A 647 14.054 0.758 9.543 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.415 2.602 10.069 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.869 2.801 10.868 1.00 25.00 H new ATOM 1001 N GLU A 648 14.784 2.960 7.261 1.00 25.00 N ATOM 1002 CA GLU A 648 14.224 3.930 6.314 1.00 25.00 C ATOM 1003 C GLU A 648 13.380 3.201 5.261 1.00 25.00 C ATOM 1004 O GLU A 648 12.285 3.649 4.924 1.00 25.00 O ATOM 1005 CB GLU A 648 15.357 4.743 5.654 1.00 25.00 C ATOM 1006 CG GLU A 648 16.049 5.744 6.579 1.00 25.00 C ATOM 1007 CD GLU A 648 17.300 6.342 5.963 1.00 25.00 C ATOM 1008 OE1 GLU A 648 17.778 5.800 4.945 1.00 25.00 O ATOM 1009 OE2 GLU A 648 17.801 7.353 6.500 1.00 25.00 O ATOM 0 H GLU A 648 15.720 2.637 7.015 1.00 25.00 H new ATOM 0 HA GLU A 648 13.578 4.626 6.849 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.104 4.050 5.267 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.948 5.282 4.799 1.00 25.00 H new ATOM 0 HG2 GLU A 648 15.353 6.545 6.827 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.311 5.248 7.514 1.00 25.00 H new ATOM 1016 N TYR A 649 13.914 2.068 4.770 1.00 25.00 N ATOM 1017 CA TYR A 649 13.239 1.195 3.793 1.00 25.00 C ATOM 1018 C TYR A 649 11.803 0.850 4.237 1.00 25.00 C ATOM 1019 O TYR A 649 10.839 1.118 3.514 1.00 25.00 O ATOM 1020 CB TYR A 649 14.111 -0.075 3.606 1.00 25.00 C ATOM 1021 CG TYR A 649 13.544 -1.161 2.706 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.649 -1.049 1.326 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.902 -2.277 3.227 1.00 25.00 C ATOM 1024 CE1 TYR A 649 13.138 -2.011 0.489 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.387 -3.251 2.394 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.506 -3.114 1.025 1.00 25.00 C ATOM 1027 OH TYR A 649 11.986 -4.081 0.197 1.00 25.00 O ATOM 0 H TYR A 649 14.836 1.729 5.044 1.00 25.00 H new ATOM 0 HA TYR A 649 13.137 1.712 2.839 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.077 0.231 3.205 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.297 -0.509 4.589 1.00 25.00 H new ATOM 0 HD1 TYR A 649 14.143 -0.187 0.902 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.804 -2.385 4.297 1.00 25.00 H new ATOM 0 HE1 TYR A 649 13.230 -1.905 -0.582 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.893 -4.116 2.812 1.00 25.00 H new ATOM 0 HH TYR A 649 11.577 -4.789 0.737 1.00 25.00 H new ATOM 1037 N TYR A 650 11.693 0.251 5.429 1.00 25.00 N ATOM 1038 CA TYR A 650 10.405 -0.112 6.034 1.00 25.00 C ATOM 1039 C TYR A 650 9.517 1.109 6.341 1.00 25.00 C ATOM 1040 O TYR A 650 8.314 0.959 6.579 1.00 25.00 O ATOM 1041 CB TYR A 650 10.660 -0.924 7.315 1.00 25.00 C ATOM 1042 CG TYR A 650 11.301 -2.279 7.071 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.376 -2.705 7.843 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.833 -3.129 6.076 1.00 25.00 C ATOM 1045 CE1 TYR A 650 12.965 -3.924 7.633 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.422 -4.362 5.861 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.488 -4.757 6.643 1.00 25.00 C ATOM 1048 OH TYR A 650 13.079 -5.980 6.431 1.00 25.00 O ATOM 0 H TYR A 650 12.498 0.003 6.004 1.00 25.00 H new ATOM 0 HA TYR A 650 9.858 -0.712 5.307 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.302 -0.344 7.978 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.713 -1.070 7.835 1.00 25.00 H new ATOM 0 HD1 TYR A 650 12.754 -2.062 8.624 1.00 25.00 H new ATOM 0 HD2 TYR A 650 9.998 -2.823 5.463 1.00 25.00 H new ATOM 0 HE1 TYR A 650 13.802 -4.232 8.242 1.00 25.00 H new ATOM 0 HE2 TYR A 650 11.049 -5.013 5.084 1.00 25.00 H new ATOM 0 HH TYR A 650 12.493 -6.534 5.874 1.00 25.00 H new ATOM 1058 N HIS A 651 10.116 2.309 6.327 1.00 25.00 N ATOM 1059 CA HIS A 651 9.392 3.546 6.628 1.00 25.00 C ATOM 1060 C HIS A 651 8.638 4.089 5.401 1.00 25.00 C ATOM 1061 O HIS A 651 7.670 4.836 5.568 1.00 25.00 O ATOM 1062 CB HIS A 651 10.364 4.602 7.188 1.00 25.00 C ATOM 1063 CG HIS A 651 10.437 5.878 6.390 1.00 25.00 C ATOM 1064 ND1 HIS A 651 11.371 6.088 5.395 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.700 7.016 6.455 1.00 25.00 C ATOM 1066 CE1 HIS A 651 11.205 7.296 4.884 1.00 25.00 C ATOM 1067 NE2 HIS A 651 10.198 7.878 5.510 1.00 25.00 N ATOM 0 H HIS A 651 11.103 2.446 6.109 1.00 25.00 H new ATOM 0 HA HIS A 651 8.641 3.317 7.384 1.00 25.00 H new ATOM 0 HB2 HIS A 651 10.067 4.844 8.208 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.361 4.166 7.242 1.00 25.00 H new ATOM 0 HD1 HIS A 651 12.079 5.416 5.100 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.875 7.208 7.125 1.00 25.00 H new ATOM 0 HE1 HIS A 651 11.793 7.733 4.090 1.00 25.00 H new ATOM 1076 N LEU A 652 9.068 3.718 4.176 1.00 25.00 N ATOM 1077 CA LEU A 652 8.375 4.147 2.964 1.00 25.00 C ATOM 1078 C LEU A 652 7.011 3.455 2.799 1.00 25.00 C ATOM 1079 O LEU A 652 6.024 4.118 2.478 1.00 25.00 O ATOM 1080 CB LEU A 652 9.224 3.910 1.705 1.00 25.00 C ATOM 1081 CG LEU A 652 10.493 4.768 1.471 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.353 4.267 0.316 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.136 6.231 1.306 1.00 25.00 C ATOM 0 H LEU A 652 9.884 3.129 4.011 1.00 25.00 H new ATOM 0 HA LEU A 652 8.208 5.218 3.079 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.532 2.865 1.710 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.573 4.046 0.841 1.00 25.00 H new ATOM 0 HG LEU A 652 11.107 4.664 2.366 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.225 4.911 0.206 1.00 25.00 H new ATOM 0 HD12 LEU A 652 11.679 3.247 0.521 1.00 25.00 H new ATOM 0 HD13 LEU A 652 10.771 4.284 -0.605 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.044 6.811 1.143 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.472 6.349 0.450 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.635 6.587 2.206 1.00 25.00 H new ATOM 1095 N LEU A 653 6.954 2.119 3.012 1.00 25.00 N ATOM 1096 CA LEU A 653 5.696 1.370 2.935 1.00 25.00 C ATOM 1097 C LEU A 653 4.740 1.732 4.079 1.00 25.00 C ATOM 1098 O LEU A 653 3.520 1.682 3.907 1.00 25.00 O ATOM 1099 CB LEU A 653 5.961 -0.153 2.947 1.00 25.00 C ATOM 1100 CG LEU A 653 4.911 -1.091 2.285 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.451 -1.843 1.079 1.00 25.00 C ATOM 1102 CD2 LEU A 653 4.288 -2.040 3.302 1.00 25.00 C ATOM 0 H LEU A 653 7.768 1.547 3.237 1.00 25.00 H new ATOM 0 HA LEU A 653 5.222 1.648 1.994 1.00 25.00 H new ATOM 0 HB2 LEU A 653 6.918 -0.327 2.456 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.074 -0.462 3.986 1.00 25.00 H new ATOM 0 HG LEU A 653 4.124 -0.439 1.906 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.668 -2.478 0.666 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.777 -1.130 0.322 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.296 -2.460 1.384 1.00 25.00 H new ATOM 0 HD21 LEU A 653 3.560 -2.680 2.804 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.067 -2.657 3.749 1.00 25.00 H new ATOM 0 HD23 LEU A 653 3.791 -1.463 4.081 1.00 25.00 H new ATOM 1114 N ALA A 654 5.307 2.110 5.237 1.00 25.00 N ATOM 1115 CA ALA A 654 4.516 2.469 6.420 1.00 25.00 C ATOM 1116 C ALA A 654 3.939 3.889 6.331 1.00 25.00 C ATOM 1117 O ALA A 654 2.872 4.156 6.893 1.00 25.00 O ATOM 1118 CB ALA A 654 5.357 2.326 7.679 1.00 25.00 C ATOM 0 H ALA A 654 6.315 2.174 5.376 1.00 25.00 H new ATOM 0 HA ALA A 654 3.673 1.779 6.463 1.00 25.00 H new ATOM 0 HB1 ALA A 654 4.758 2.595 8.549 1.00 25.00 H new ATOM 0 HB2 ALA A 654 5.694 1.294 7.776 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.222 2.986 7.616 1.00 25.00 H new ATOM 1124 N GLU A 655 4.643 4.794 5.624 1.00 25.00 N ATOM 1125 CA GLU A 655 4.183 6.189 5.478 1.00 25.00 C ATOM 1126 C GLU A 655 3.044 6.322 4.454 1.00 25.00 C ATOM 1127 O GLU A 655 2.195 7.204 4.592 1.00 25.00 O ATOM 1128 CB GLU A 655 5.352 7.142 5.140 1.00 25.00 C ATOM 1129 CG GLU A 655 4.978 8.616 5.022 1.00 25.00 C ATOM 1130 CD GLU A 655 6.163 9.496 4.670 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.264 8.948 4.449 1.00 25.00 O ATOM 1132 OE2 GLU A 655 5.990 10.731 4.614 1.00 25.00 O ATOM 0 H GLU A 655 5.522 4.588 5.150 1.00 25.00 H new ATOM 0 HA GLU A 655 3.780 6.487 6.446 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.117 7.039 5.909 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.800 6.821 4.200 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.207 8.731 4.260 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.548 8.954 5.965 1.00 25.00 H new ATOM 1139 N LYS A 656 3.029 5.441 3.433 1.00 25.00 N ATOM 1140 CA LYS A 656 1.889 5.361 2.498 1.00 25.00 C ATOM 1141 C LYS A 656 0.694 4.740 3.221 1.00 25.00 C ATOM 1142 O LYS A 656 -0.459 5.028 2.909 1.00 25.00 O ATOM 1143 CB LYS A 656 2.196 4.508 1.244 1.00 25.00 C ATOM 1144 CG LYS A 656 3.298 5.039 0.316 1.00 25.00 C ATOM 1145 CD LYS A 656 3.510 4.149 -0.906 1.00 25.00 C ATOM 1146 CE LYS A 656 4.663 4.647 -1.763 1.00 25.00 C ATOM 1147 NZ LYS A 656 5.981 4.402 -1.117 1.00 25.00 N ATOM 0 H LYS A 656 3.783 4.783 3.237 1.00 25.00 H new ATOM 0 HA LYS A 656 1.677 6.377 2.165 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.477 3.507 1.571 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.278 4.409 0.664 1.00 25.00 H new ATOM 0 HG2 LYS A 656 3.039 6.046 -0.012 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.232 5.116 0.873 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.710 3.127 -0.583 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.597 4.123 -1.501 1.00 25.00 H new ATOM 0 HE2 LYS A 656 4.636 4.150 -2.733 1.00 25.00 H new ATOM 0 HE3 LYS A 656 4.543 5.714 -1.949 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 6.743 4.630 -1.787 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 6.071 5.002 -0.273 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 6.051 3.402 -0.840 1.00 25.00 H new ATOM 1161 N ILE A 657 1.012 3.910 4.227 1.00 25.00 N ATOM 1162 CA ILE A 657 0.018 3.202 5.035 1.00 25.00 C ATOM 1163 C ILE A 657 -0.712 4.172 5.982 1.00 25.00 C ATOM 1164 O ILE A 657 -1.879 3.956 6.312 1.00 25.00 O ATOM 1165 CB ILE A 657 0.710 2.012 5.797 1.00 25.00 C ATOM 1166 CG1 ILE A 657 0.778 0.790 4.846 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.025 1.660 7.132 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.644 -0.372 5.320 1.00 25.00 C ATOM 0 H ILE A 657 1.975 3.713 4.501 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.747 2.778 4.385 1.00 25.00 H new ATOM 0 HB ILE A 657 1.717 2.324 6.075 1.00 25.00 H new ATOM 0 HG12 ILE A 657 -0.235 0.422 4.685 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.152 1.126 3.879 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.553 0.832 7.605 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.046 2.527 7.792 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -1.009 1.372 6.945 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.619 -1.171 4.579 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.671 -0.031 5.451 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.262 -0.746 6.270 1.00 25.00 H new ATOM 1180 N TYR A 658 -0.021 5.237 6.400 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.615 6.237 7.285 1.00 25.00 C ATOM 1182 C TYR A 658 -1.480 7.225 6.485 1.00 25.00 C ATOM 1183 O TYR A 658 -2.535 7.650 6.957 1.00 25.00 O ATOM 1184 CB TYR A 658 0.483 6.989 8.056 1.00 25.00 C ATOM 1185 CG TYR A 658 -0.025 8.145 8.910 1.00 25.00 C ATOM 1186 CD1 TYR A 658 -0.596 7.916 10.157 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.067 9.460 8.464 1.00 25.00 C ATOM 1188 CE1 TYR A 658 -1.060 8.962 10.933 1.00 25.00 C ATOM 1189 CE2 TYR A 658 -0.396 10.510 9.234 1.00 25.00 C ATOM 1190 CZ TYR A 658 -0.957 10.256 10.465 1.00 25.00 C ATOM 1191 OH TYR A 658 -1.419 11.299 11.236 1.00 25.00 O ATOM 0 H TYR A 658 0.947 5.426 6.139 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.255 5.723 8.002 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.008 6.282 8.699 1.00 25.00 H new ATOM 0 HB3 TYR A 658 1.212 7.373 7.343 1.00 25.00 H new ATOM 0 HD1 TYR A 658 -0.678 6.904 10.526 1.00 25.00 H new ATOM 0 HD2 TYR A 658 0.508 9.663 7.499 1.00 25.00 H new ATOM 0 HE1 TYR A 658 -1.500 8.767 11.900 1.00 25.00 H new ATOM 0 HE2 TYR A 658 -0.318 11.524 8.872 1.00 25.00 H new ATOM 0 HH TYR A 658 -1.272 12.145 10.764 1.00 25.00 H new ATOM 1201 N LYS A 659 -1.026 7.563 5.263 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.721 8.529 4.388 1.00 25.00 C ATOM 1203 C LYS A 659 -3.043 7.972 3.848 1.00 25.00 C ATOM 1204 O LYS A 659 -4.011 8.716 3.676 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.826 8.943 3.206 1.00 25.00 C ATOM 1206 CG LYS A 659 0.372 9.820 3.570 1.00 25.00 C ATOM 1207 CD LYS A 659 1.222 10.191 2.351 1.00 25.00 C ATOM 1208 CE LYS A 659 2.408 11.060 2.726 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.284 11.364 1.558 1.00 25.00 N ATOM 0 H LYS A 659 -0.174 7.178 4.856 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.942 9.401 5.003 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.460 8.041 2.716 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -1.437 9.476 2.478 1.00 25.00 H new ATOM 0 HG2 LYS A 659 0.018 10.731 4.052 1.00 25.00 H new ATOM 0 HG3 LYS A 659 0.994 9.296 4.296 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.578 9.281 1.867 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.603 10.717 1.624 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.048 11.993 3.159 1.00 25.00 H new ATOM 0 HE3 LYS A 659 2.994 10.557 3.495 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.079 11.960 1.866 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 3.651 10.476 1.159 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 2.734 11.868 0.833 1.00 25.00 H new ATOM 1223 N ILE A 660 -3.067 6.658 3.587 1.00 25.00 N ATOM 1224 CA ILE A 660 -4.273 5.967 3.099 1.00 25.00 C ATOM 1225 C ILE A 660 -5.251 5.716 4.266 1.00 25.00 C ATOM 1226 O ILE A 660 -6.470 5.782 4.087 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.908 4.622 2.382 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -3.247 4.910 1.012 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -5.155 3.744 2.199 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.628 3.695 0.329 1.00 25.00 C ATOM 0 H ILE A 660 -2.259 6.046 3.706 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.760 6.610 2.365 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.200 4.080 3.009 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.996 5.340 0.347 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.473 5.665 1.150 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.877 2.816 1.699 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.586 3.516 3.174 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.889 4.276 1.594 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -2.190 3.996 -0.623 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.852 3.274 0.968 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -3.399 2.945 0.153 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.692 5.438 5.451 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.475 5.265 6.685 1.00 25.00 C ATOM 1244 C GLN A 661 -6.084 6.588 7.178 1.00 25.00 C ATOM 1245 O GLN A 661 -7.082 6.581 7.902 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.598 4.655 7.787 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.462 3.129 7.723 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.494 2.513 8.739 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.896 3.328 9.608 1.00 25.00 O flip ATOM 1250 NE2 GLN A 661 -3.265 1.303 8.720 1.00 25.00 N flip ATOM 0 H GLN A 661 -3.687 5.327 5.583 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.298 4.589 6.452 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.604 5.098 7.729 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.013 4.929 8.757 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.447 2.687 7.871 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -4.135 2.852 6.721 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.738 0.705 8.043 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.602 0.899 9.381 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.481 7.717 6.766 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.961 9.061 7.131 1.00 25.00 C ATOM 1261 C LYS A 662 -7.269 9.432 6.418 1.00 25.00 C ATOM 1262 O LYS A 662 -8.072 10.207 6.944 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.899 10.102 6.819 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.255 11.508 7.299 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.259 12.570 6.844 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.328 12.836 5.352 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.651 13.380 4.943 1.00 25.00 N ATOM 0 H LYS A 662 -4.651 7.724 6.173 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.163 9.044 8.202 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.959 9.798 7.279 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.733 10.127 5.742 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.248 11.769 6.932 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.307 11.511 8.388 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -4.451 13.497 7.384 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.250 12.252 7.106 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -3.544 13.540 5.073 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -4.133 11.911 4.809 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -6.093 12.738 4.255 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -6.264 13.467 5.779 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -5.522 14.317 4.510 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.466 8.865 5.220 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.639 9.138 4.385 1.00 25.00 C ATOM 1283 C GLU A 663 -9.859 8.356 4.874 1.00 25.00 C ATOM 1284 O GLU A 663 -10.965 8.899 4.950 1.00 25.00 O ATOM 1285 CB GLU A 663 -8.347 8.760 2.921 1.00 25.00 C ATOM 1286 CG GLU A 663 -7.313 9.640 2.220 1.00 25.00 C ATOM 1287 CD GLU A 663 -7.682 11.117 2.200 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -8.839 11.434 1.849 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -6.816 11.951 2.532 1.00 25.00 O ATOM 0 H GLU A 663 -6.813 8.202 4.803 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.856 10.204 4.454 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -8.003 7.726 2.890 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -9.279 8.802 2.358 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -6.350 9.521 2.717 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -7.187 9.292 1.195 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.638 7.073 5.202 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.702 6.192 5.714 1.00 25.00 C ATOM 1298 C LEU A 664 -11.176 6.587 7.124 1.00 25.00 C ATOM 1299 O LEU A 664 -12.275 6.204 7.539 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.247 4.712 5.715 1.00 25.00 C ATOM 1301 CG LEU A 664 -10.038 4.018 4.341 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.341 2.665 4.485 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -11.349 3.861 3.581 1.00 25.00 C ATOM 0 H LEU A 664 -8.728 6.620 5.121 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.546 6.313 5.035 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.310 4.650 6.268 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.985 4.135 6.273 1.00 25.00 H new ATOM 0 HG LEU A 664 -9.387 4.672 3.761 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -9.215 2.214 3.501 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.364 2.806 4.947 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.947 2.008 5.110 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -11.159 3.371 2.626 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -12.040 3.256 4.168 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.787 4.843 3.405 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.346 7.354 7.850 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.708 7.868 9.184 1.00 25.00 C ATOM 1317 C GLU A 665 -11.694 9.041 9.091 1.00 25.00 C ATOM 1318 O GLU A 665 -12.351 9.386 10.078 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.460 8.288 9.967 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.866 7.174 10.820 1.00 25.00 C ATOM 1321 CD GLU A 665 -9.393 7.179 12.241 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -9.611 8.279 12.792 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -9.593 6.082 12.805 1.00 25.00 O ATOM 0 H GLU A 665 -9.417 7.633 7.535 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.200 7.056 9.719 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.703 8.639 9.265 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.713 9.131 10.611 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.087 6.212 10.358 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -7.781 7.276 10.839 1.00 25.00 H new ATOM 1694 N SER B 536 -8.378 9.235 -3.905 1.00 25.00 N ATOM 1695 CA SER B 536 -9.639 9.209 -4.650 1.00 25.00 C ATOM 1696 C SER B 536 -10.042 7.787 -5.064 1.00 25.00 C ATOM 1697 O SER B 536 -11.235 7.488 -5.174 1.00 25.00 O ATOM 1698 CB SER B 536 -9.531 10.103 -5.879 1.00 25.00 C ATOM 1699 OG SER B 536 -8.511 9.655 -6.753 1.00 25.00 O ATOM 0 HA SER B 536 -10.419 9.584 -3.988 1.00 25.00 H new ATOM 0 HB2 SER B 536 -10.485 10.117 -6.406 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.324 11.127 -5.569 1.00 25.00 H new ATOM 0 HG SER B 536 -7.793 9.239 -6.232 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.043 6.919 -5.288 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.286 5.544 -5.761 1.00 25.00 C ATOM 1707 C ILE B 537 -9.544 4.581 -4.592 1.00 25.00 C ATOM 1708 O ILE B 537 -10.331 3.640 -4.730 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.097 5.012 -6.645 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -7.891 5.876 -7.926 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.269 3.527 -7.019 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.539 5.725 -8.630 1.00 25.00 C ATOM 0 H ILE B 537 -8.058 7.144 -5.149 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.182 5.582 -6.381 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.200 5.099 -6.031 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -8.678 5.627 -8.638 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.023 6.924 -7.658 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.425 3.205 -7.629 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.311 2.926 -6.111 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.193 3.398 -7.582 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.511 6.373 -9.506 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -5.739 6.006 -7.945 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.404 4.689 -8.940 1.00 25.00 H new ATOM 1724 N ALA B 538 -8.889 4.820 -3.449 1.00 25.00 N ATOM 1725 CA ALA B 538 -8.996 3.918 -2.295 1.00 25.00 C ATOM 1726 C ALA B 538 -10.262 4.162 -1.474 1.00 25.00 C ATOM 1727 O ALA B 538 -10.619 3.361 -0.603 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.752 4.014 -1.423 1.00 25.00 C ATOM 0 H ALA B 538 -8.282 5.626 -3.299 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.071 2.904 -2.688 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.850 3.338 -0.573 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -6.875 3.736 -2.008 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.638 5.036 -1.062 1.00 25.00 H new ATOM 1734 N ASP B 539 -10.927 5.270 -1.772 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.233 5.591 -1.190 1.00 25.00 C ATOM 1736 C ASP B 539 -13.342 5.294 -2.213 1.00 25.00 C ATOM 1737 O ASP B 539 -14.535 5.374 -1.903 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.264 7.061 -0.727 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.389 7.332 0.488 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -10.839 6.363 1.052 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.255 8.513 0.870 1.00 25.00 O ATOM 0 H ASP B 539 -10.581 5.974 -2.423 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.406 4.968 -0.313 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -11.939 7.700 -1.549 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.292 7.339 -0.494 1.00 25.00 H new ATOM 1746 N MET B 540 -12.913 4.940 -3.429 1.00 25.00 N ATOM 1747 CA MET B 540 -13.808 4.521 -4.505 1.00 25.00 C ATOM 1748 C MET B 540 -13.893 2.989 -4.537 1.00 25.00 C ATOM 1749 O MET B 540 -14.954 2.421 -4.806 1.00 25.00 O ATOM 1750 CB MET B 540 -13.276 5.067 -5.840 1.00 25.00 C ATOM 1751 CG MET B 540 -14.116 4.714 -7.075 1.00 25.00 C ATOM 1752 SD MET B 540 -13.573 5.530 -8.599 1.00 25.00 S ATOM 1753 CE MET B 540 -13.989 7.246 -8.277 1.00 25.00 C ATOM 0 H MET B 540 -11.928 4.937 -3.693 1.00 25.00 H new ATOM 0 HA MET B 540 -14.810 4.916 -4.336 1.00 25.00 H new ATOM 0 HB2 MET B 540 -13.205 6.152 -5.767 1.00 25.00 H new ATOM 0 HB3 MET B 540 -12.264 4.691 -5.990 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.087 3.635 -7.224 1.00 25.00 H new ATOM 0 HG3 MET B 540 -15.155 4.982 -6.883 1.00 25.00 H new ATOM 0 HE1 MET B 540 -13.926 7.816 -9.204 1.00 25.00 H new ATOM 0 HE2 MET B 540 -15.003 7.307 -7.882 1.00 25.00 H new ATOM 0 HE3 MET B 540 -13.291 7.659 -7.549 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.756 2.341 -4.244 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.647 0.888 -4.236 1.00 25.00 C ATOM 1765 C ASP B 541 -13.107 0.269 -2.910 1.00 25.00 C ATOM 1766 O ASP B 541 -13.513 -0.895 -2.887 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.205 0.491 -4.528 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.856 0.599 -6.002 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.780 0.801 -6.817 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.658 0.490 -6.338 1.00 25.00 O ATOM 0 H ASP B 541 -11.887 2.819 -4.006 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.310 0.502 -5.010 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.533 1.127 -3.952 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -11.039 -0.533 -4.193 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.064 1.050 -1.812 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.465 0.551 -0.483 1.00 25.00 C ATOM 1777 C PHE B 542 -14.979 0.276 -0.428 1.00 25.00 C ATOM 1778 O PHE B 542 -15.438 -0.560 0.354 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.064 1.567 0.597 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.278 1.107 2.019 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.401 0.219 2.624 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.376 1.554 2.742 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.612 -0.212 3.920 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.590 1.128 4.038 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.709 0.244 4.628 1.00 25.00 C ATOM 0 H PHE B 542 -12.757 2.023 -1.819 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.948 -0.391 -0.297 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.011 1.816 0.467 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.631 2.485 0.439 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.543 -0.140 2.076 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.071 2.243 2.285 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.921 -0.904 4.379 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.446 1.486 4.590 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.876 -0.091 5.641 1.00 25.00 H new ATOM 1795 N SER B 543 -15.735 0.995 -1.272 1.00 25.00 N ATOM 1796 CA SER B 543 -17.183 0.799 -1.407 1.00 25.00 C ATOM 1797 C SER B 543 -17.503 -0.378 -2.343 1.00 25.00 C ATOM 1798 O SER B 543 -18.573 -0.987 -2.239 1.00 25.00 O ATOM 1799 CB SER B 543 -17.834 2.081 -1.933 1.00 25.00 C ATOM 1800 OG SER B 543 -17.353 2.414 -3.227 1.00 25.00 O ATOM 0 H SER B 543 -15.360 1.725 -1.877 1.00 25.00 H new ATOM 0 HA SER B 543 -17.587 0.564 -0.422 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.916 1.954 -1.967 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.631 2.902 -1.246 1.00 25.00 H new ATOM 0 HG SER B 543 -17.788 3.236 -3.536 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.562 -0.688 -3.251 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.725 -1.774 -4.226 1.00 25.00 C ATOM 1808 C ALA B 544 -16.333 -3.138 -3.641 1.00 25.00 C ATOM 1809 O ALA B 544 -16.786 -4.179 -4.129 1.00 25.00 O ATOM 1810 CB ALA B 544 -15.905 -1.478 -5.474 1.00 25.00 C ATOM 0 H ALA B 544 -15.673 -0.195 -3.328 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.781 -1.827 -4.489 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.031 -2.288 -6.193 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.244 -0.542 -5.919 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.852 -1.392 -5.206 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.495 -3.121 -2.592 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.055 -4.343 -1.906 1.00 25.00 C ATOM 1818 C LEU B 545 -16.132 -4.901 -0.965 1.00 25.00 C ATOM 1819 O LEU B 545 -16.156 -6.104 -0.689 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.763 -4.070 -1.125 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.487 -3.760 -1.948 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.295 -3.406 -1.061 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.126 -4.898 -2.900 1.00 25.00 C ATOM 0 H LEU B 545 -15.106 -2.264 -2.199 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.869 -5.097 -2.670 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.945 -3.229 -0.455 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.558 -4.938 -0.499 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.725 -2.882 -2.549 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.426 -3.197 -1.685 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.534 -2.525 -0.465 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -11.073 -4.243 -0.399 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.225 -4.636 -3.455 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.947 -5.808 -2.328 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.947 -5.063 -3.597 1.00 25.00 H new ATOM 1835 N LEU B 546 -17.018 -4.016 -0.480 1.00 25.00 N ATOM 1836 CA LEU B 546 -18.112 -4.405 0.427 1.00 25.00 C ATOM 1837 C LEU B 546 -19.351 -4.843 -0.357 1.00 25.00 C ATOM 1838 O LEU B 546 -20.138 -5.667 0.116 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.485 -3.232 1.354 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.421 -2.808 2.369 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -17.887 -1.584 3.146 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.102 -3.942 3.330 1.00 25.00 C ATOM 0 H LEU B 546 -16.998 -3.021 -0.702 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.760 -5.245 1.026 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.730 -2.370 0.734 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.390 -3.500 1.899 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.514 -2.557 1.820 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.119 -1.295 3.864 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.066 -0.761 2.455 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -18.810 -1.819 3.677 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.343 -3.614 4.041 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.005 -4.227 3.869 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.728 -4.799 2.770 1.00 25.00 H new ATOM 1854 N SER B 547 -19.504 -4.274 -1.557 1.00 25.00 N ATOM 1855 CA SER B 547 -20.655 -4.549 -2.431 1.00 25.00 C ATOM 1856 C SER B 547 -20.566 -5.923 -3.120 1.00 25.00 C ATOM 1857 O SER B 547 -21.573 -6.436 -3.617 1.00 25.00 O ATOM 1858 CB SER B 547 -20.789 -3.440 -3.484 1.00 25.00 C ATOM 1859 OG SER B 547 -19.717 -3.475 -4.413 1.00 25.00 O ATOM 0 H SER B 547 -18.837 -3.611 -1.951 1.00 25.00 H new ATOM 0 HA SER B 547 -21.541 -4.569 -1.796 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.735 -3.552 -4.014 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.813 -2.469 -2.990 1.00 25.00 H new ATOM 0 HG SER B 547 -18.907 -3.798 -3.966 1.00 25.00 H new ATOM 1865 N GLN B 548 -19.360 -6.512 -3.136 1.00 25.00 N ATOM 1866 CA GLN B 548 -19.130 -7.813 -3.783 1.00 25.00 C ATOM 1867 C GLN B 548 -19.372 -8.992 -2.833 1.00 25.00 C ATOM 1868 O GLN B 548 -19.432 -10.147 -3.267 1.00 25.00 O ATOM 1869 CB GLN B 548 -17.709 -7.885 -4.359 1.00 25.00 C ATOM 1870 CG GLN B 548 -17.494 -7.017 -5.602 1.00 25.00 C ATOM 1871 CD GLN B 548 -16.070 -7.051 -6.171 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -15.067 -7.218 -5.308 1.00 25.00 O flip ATOM 1873 NE2 GLN B 548 -15.876 -6.905 -7.378 1.00 25.00 N flip ATOM 0 H GLN B 548 -18.528 -6.107 -2.707 1.00 25.00 H new ATOM 0 HA GLN B 548 -19.854 -7.894 -4.593 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -17.000 -7.580 -3.589 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -17.482 -8.921 -4.609 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -18.188 -7.340 -6.378 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -17.748 -5.986 -5.356 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -16.667 -6.780 -8.010 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -14.925 -6.909 -7.746 1.00 25.00 H new ATOM 1882 N ILE B 549 -19.517 -8.684 -1.543 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.735 -9.706 -0.508 1.00 25.00 C ATOM 1884 C ILE B 549 -21.219 -9.741 -0.089 1.00 25.00 C ATOM 1885 O ILE B 549 -21.741 -10.801 0.264 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.825 -9.465 0.745 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -17.332 -9.577 0.358 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -19.157 -10.474 1.860 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.361 -9.108 1.432 1.00 25.00 C ATOM 0 H ILE B 549 -19.488 -7.729 -1.185 1.00 25.00 H new ATOM 0 HA ILE B 549 -19.463 -10.670 -0.937 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.018 -8.459 1.117 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -17.110 -10.616 0.115 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -17.160 -8.995 -0.547 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.514 -10.290 2.721 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -20.200 -10.360 2.155 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.992 -11.488 1.494 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.338 -9.223 1.073 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.550 -8.059 1.660 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.499 -9.706 2.333 1.00 25.00 H new ATOM 1901 N SER B 550 -21.882 -8.575 -0.142 1.00 25.00 N ATOM 1902 CA SER B 550 -23.292 -8.457 0.248 1.00 25.00 C ATOM 1903 C SER B 550 -24.223 -8.566 -0.968 1.00 25.00 C ATOM 1904 O SER B 550 -25.306 -9.151 -0.871 1.00 25.00 O ATOM 1905 CB SER B 550 -23.525 -7.129 0.982 1.00 25.00 C ATOM 1906 OG SER B 550 -23.137 -6.021 0.183 1.00 25.00 O ATOM 0 H SER B 550 -21.461 -7.699 -0.452 1.00 25.00 H new ATOM 0 HA SER B 550 -23.526 -9.283 0.919 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.578 -7.038 1.247 1.00 25.00 H new ATOM 0 HB3 SER B 550 -22.960 -7.123 1.914 1.00 25.00 H new ATOM 0 HG SER B 550 -22.160 -5.940 0.188 1.00 25.00 H new ATOM 1912 N SER B 551 -23.793 -7.998 -2.104 1.00 25.00 N ATOM 1913 CA SER B 551 -24.582 -8.024 -3.338 1.00 25.00 C ATOM 1914 C SER B 551 -23.944 -8.955 -4.375 1.00 25.00 C ATOM 1915 O SER B 551 -22.925 -8.564 -4.989 1.00 25.00 O ATOM 1916 CB SER B 551 -24.739 -6.607 -3.907 1.00 25.00 C ATOM 1917 OG SER B 551 -25.459 -5.774 -3.015 1.00 25.00 O ATOM 1918 OXT SER B 551 -24.472 -10.071 -4.565 1.00 25.00 O ATOM 0 H SER B 551 -22.899 -7.514 -2.191 1.00 25.00 H new ATOM 0 HA SER B 551 -25.573 -8.411 -3.100 1.00 25.00 H new ATOM 0 HB2 SER B 551 -23.755 -6.177 -4.096 1.00 25.00 H new ATOM 0 HB3 SER B 551 -25.257 -6.652 -4.865 1.00 25.00 H new ATOM 0 HG SER B 551 -25.543 -4.877 -3.401 1.00 25.00 H new