USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 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= -0.186 K(o=0.24,f=-5.4!) USER MOD Set 1.2: A 614 THR OG1 : rot 180:sc= 0.422 USER MOD Single : A 592 HIS :FLIP no HD1:sc= -0.0308 F(o=-1.3,f=-0.031) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -140:sc= -0.603 USER MOD Single : A 597 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 601 SER OG : rot -54:sc= 1.24 USER MOD Single : A 602 HIS :FLIP no HE2:sc= 0.245 F(o=-1.4,f=0.24) 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 180:sc= 0 (180deg=0) USER MOD Single : A 627 ASN : amide:sc=-0.00631 K(o=-0.0063,f=-0.9) 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 -168:sc= -1.17 (180deg=-1.86) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 76:sc= 1.2 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 180:sc= 0 USER MOD Single : A 650 TYR OH : rot -61:sc= -1.38 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.563) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -133:sc= 0.00421 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.69) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 SER OG : rot 180:sc= 0 USER MOD Single : B 540 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -38:sc= 0.504 USER MOD Single : B 548 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.5) USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 551 SER OG : rot 12:sc= 1.64 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.311 -4.969 4.038 1.00 25.00 N ATOM 73 CA GLY A 590 23.871 -5.999 4.979 1.00 25.00 C ATOM 74 C GLY A 590 22.388 -6.331 4.873 1.00 25.00 C ATOM 75 O GLY A 590 21.972 -7.432 5.243 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.451 -6.906 4.808 1.00 25.00 H new ATOM 0 HA3 GLY A 590 24.089 -5.668 5.994 1.00 25.00 H new ATOM 79 N TRP A 591 21.594 -5.376 4.364 1.00 25.00 N ATOM 80 CA TRP A 591 20.137 -5.547 4.225 1.00 25.00 C ATOM 81 C TRP A 591 19.767 -6.386 2.995 1.00 25.00 C ATOM 82 O TRP A 591 18.732 -7.052 2.981 1.00 25.00 O ATOM 83 CB TRP A 591 19.423 -4.177 4.198 1.00 25.00 C ATOM 84 CG TRP A 591 19.802 -3.249 3.062 1.00 25.00 C ATOM 85 CD1 TRP A 591 21.044 -2.746 2.780 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.915 -2.680 2.084 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.986 -1.926 1.679 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.692 -1.867 1.235 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.539 -2.786 1.834 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.140 -1.165 0.164 1.00 25.00 C ATOM 91 CZ3 TRP A 591 16.998 -2.088 0.773 1.00 25.00 C ATOM 92 CH2 TRP A 591 17.796 -1.287 -0.050 1.00 25.00 C ATOM 0 H TRP A 591 21.938 -4.472 4.040 1.00 25.00 H new ATOM 0 HA TRP A 591 19.792 -6.097 5.100 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.348 -4.351 4.154 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.625 -3.667 5.140 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.940 -2.963 3.342 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.779 -1.440 1.260 1.00 25.00 H new ATOM 0 HE3 TRP A 591 16.913 -3.403 2.461 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.754 -0.546 -0.474 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 15.939 -2.162 0.575 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.341 -0.754 -0.872 1.00 25.00 H new ATOM 103 N HIS A 592 20.632 -6.354 1.978 1.00 25.00 N ATOM 104 CA HIS A 592 20.466 -7.170 0.764 1.00 25.00 C ATOM 105 C HIS A 592 20.766 -8.663 1.041 1.00 25.00 C ATOM 106 O HIS A 592 20.436 -9.528 0.224 1.00 25.00 O ATOM 107 CB HIS A 592 21.390 -6.622 -0.346 1.00 25.00 C ATOM 108 CG HIS A 592 22.484 -7.554 -0.798 1.00 25.00 C ATOM 109 ND1 HIS A 592 23.568 -8.041 -0.146 1.00 25.00 N flip ATOM 110 CD2 HIS A 592 22.527 -8.104 -2.065 1.00 25.00 C flip ATOM 111 CE1 HIS A 592 24.232 -8.866 -1.019 1.00 25.00 C flip ATOM 112 NE2 HIS A 592 23.585 -8.887 -2.168 1.00 25.00 N flip ATOM 0 H HIS A 592 21.465 -5.766 1.969 1.00 25.00 H new ATOM 0 HA HIS A 592 19.428 -7.106 0.437 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.777 -6.363 -1.210 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.847 -5.698 0.009 1.00 25.00 H new ATOM 0 HD2 HIS A 592 21.807 -7.922 -2.849 1.00 25.00 H new ATOM 0 HE1 HIS A 592 25.139 -9.411 -0.800 1.00 25.00 H new ATOM 0 HE2 HIS A 592 23.856 -9.418 -2.996 1.00 25.00 H new ATOM 121 N GLU A 593 21.377 -8.945 2.203 1.00 25.00 N ATOM 122 CA GLU A 593 21.779 -10.310 2.570 1.00 25.00 C ATOM 123 C GLU A 593 20.650 -11.092 3.252 1.00 25.00 C ATOM 124 O GLU A 593 20.569 -12.316 3.101 1.00 25.00 O ATOM 125 CB GLU A 593 23.011 -10.276 3.480 1.00 25.00 C ATOM 126 CG GLU A 593 24.283 -9.845 2.769 1.00 25.00 C ATOM 127 CD GLU A 593 25.499 -9.870 3.675 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.459 -9.218 4.740 1.00 25.00 O ATOM 129 OE2 GLU A 593 26.491 -10.542 3.320 1.00 25.00 O ATOM 0 H GLU A 593 21.604 -8.242 2.906 1.00 25.00 H new ATOM 0 HA GLU A 593 22.021 -10.829 1.642 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.820 -9.595 4.310 1.00 25.00 H new ATOM 0 HB3 GLU A 593 23.163 -11.267 3.909 1.00 25.00 H new ATOM 0 HG2 GLU A 593 24.457 -10.501 1.916 1.00 25.00 H new ATOM 0 HG3 GLU A 593 24.150 -8.838 2.374 1.00 25.00 H new ATOM 136 N HIS A 594 19.782 -10.388 3.995 1.00 25.00 N ATOM 137 CA HIS A 594 18.680 -11.037 4.721 1.00 25.00 C ATOM 138 C HIS A 594 17.324 -10.884 4.020 1.00 25.00 C ATOM 139 O HIS A 594 16.413 -11.681 4.270 1.00 25.00 O ATOM 140 CB HIS A 594 18.574 -10.539 6.179 1.00 25.00 C ATOM 141 CG HIS A 594 19.756 -10.827 7.063 1.00 25.00 C ATOM 142 ND1 HIS A 594 20.072 -12.095 7.499 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.662 -9.998 7.632 1.00 25.00 C ATOM 144 CE1 HIS A 594 21.119 -12.034 8.300 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.497 -10.772 8.397 1.00 25.00 N ATOM 0 H HIS A 594 19.821 -9.375 4.108 1.00 25.00 H new ATOM 0 HA HIS A 594 18.930 -12.098 4.729 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.412 -9.461 6.163 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.690 -10.987 6.631 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.717 -8.927 7.507 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.587 -12.873 8.793 1.00 25.00 H new ATOM 0 HE2 HIS A 594 22.282 -10.429 8.951 1.00 25.00 H new ATOM 154 N VAL A 595 17.186 -9.877 3.141 1.00 25.00 N ATOM 155 CA VAL A 595 15.914 -9.646 2.438 1.00 25.00 C ATOM 156 C VAL A 595 15.756 -10.625 1.264 1.00 25.00 C ATOM 157 O VAL A 595 16.651 -10.766 0.427 1.00 25.00 O ATOM 158 CB VAL A 595 15.753 -8.165 1.949 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.549 -7.977 1.017 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.615 -7.224 3.138 1.00 25.00 C ATOM 0 H VAL A 595 17.928 -9.219 2.903 1.00 25.00 H new ATOM 0 HA VAL A 595 15.118 -9.828 3.160 1.00 25.00 H new ATOM 0 HB VAL A 595 16.654 -7.927 1.383 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.486 -6.933 0.710 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.669 -8.608 0.136 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.635 -8.256 1.542 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.504 -6.200 2.781 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.737 -7.502 3.722 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.505 -7.296 3.764 1.00 25.00 H new ATOM 170 N THR A 596 14.598 -11.284 1.238 1.00 25.00 N ATOM 171 CA THR A 596 14.273 -12.275 0.212 1.00 25.00 C ATOM 172 C THR A 596 13.158 -11.773 -0.708 1.00 25.00 C ATOM 173 O THR A 596 12.706 -10.630 -0.587 1.00 25.00 O ATOM 174 CB THR A 596 13.818 -13.617 0.849 1.00 25.00 C ATOM 175 OG1 THR A 596 12.631 -13.417 1.630 1.00 25.00 O ATOM 176 CG2 THR A 596 14.901 -14.216 1.726 1.00 25.00 C ATOM 0 H THR A 596 13.859 -11.146 1.927 1.00 25.00 H new ATOM 0 HA THR A 596 15.182 -12.436 -0.368 1.00 25.00 H new ATOM 0 HB THR A 596 13.613 -14.312 0.035 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.688 -13.947 2.453 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.546 -15.153 2.154 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.791 -14.405 1.126 1.00 25.00 H new ATOM 0 HG23 THR A 596 15.145 -13.520 2.529 1.00 25.00 H new ATOM 184 N GLN A 597 12.728 -12.641 -1.633 1.00 25.00 N ATOM 185 CA GLN A 597 11.505 -12.422 -2.412 1.00 25.00 C ATOM 186 C GLN A 597 10.269 -12.701 -1.543 1.00 25.00 C ATOM 187 O GLN A 597 9.154 -12.295 -1.883 1.00 25.00 O ATOM 188 CB GLN A 597 11.481 -13.312 -3.670 1.00 25.00 C ATOM 189 CG GLN A 597 12.540 -12.969 -4.725 1.00 25.00 C ATOM 190 CD GLN A 597 12.480 -13.811 -6.004 1.00 25.00 C ATOM 191 OE1 GLN A 597 11.516 -14.545 -6.221 1.00 25.00 O ATOM 192 NE2 GLN A 597 13.516 -13.737 -6.839 1.00 25.00 N ATOM 0 H GLN A 597 13.215 -13.508 -1.860 1.00 25.00 H new ATOM 0 HA GLN A 597 11.489 -11.381 -2.734 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.616 -14.350 -3.365 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.495 -13.240 -4.129 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.434 -11.918 -4.995 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.527 -13.086 -4.278 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.298 -13.118 -6.627 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.527 -14.300 -7.690 1.00 25.00 H new ATOM 201 N ASP A 598 10.487 -13.410 -0.418 1.00 25.00 N ATOM 202 CA ASP A 598 9.420 -13.737 0.530 1.00 25.00 C ATOM 203 C ASP A 598 9.063 -12.542 1.424 1.00 25.00 C ATOM 204 O ASP A 598 7.899 -12.391 1.808 1.00 25.00 O ATOM 205 CB ASP A 598 9.826 -14.935 1.394 1.00 25.00 C ATOM 206 CG ASP A 598 9.821 -16.246 0.627 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.224 -16.290 -0.470 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.415 -17.227 1.123 1.00 25.00 O ATOM 0 H ASP A 598 11.404 -13.767 -0.148 1.00 25.00 H new ATOM 0 HA ASP A 598 8.534 -13.993 -0.051 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.822 -14.762 1.801 1.00 25.00 H new ATOM 0 HB3 ASP A 598 9.145 -15.013 2.241 1.00 25.00 H new ATOM 213 N LEU A 599 10.063 -11.692 1.760 1.00 25.00 N ATOM 214 CA LEU A 599 9.806 -10.452 2.513 1.00 25.00 C ATOM 215 C LEU A 599 8.908 -9.484 1.736 1.00 25.00 C ATOM 216 O LEU A 599 7.920 -8.995 2.279 1.00 25.00 O ATOM 217 CB LEU A 599 11.117 -9.733 2.909 1.00 25.00 C ATOM 218 CG LEU A 599 11.992 -10.408 3.987 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.926 -9.387 4.600 1.00 25.00 C ATOM 220 CD2 LEU A 599 11.172 -11.032 5.112 1.00 25.00 C ATOM 0 H LEU A 599 11.043 -11.844 1.522 1.00 25.00 H new ATOM 0 HA LEU A 599 9.286 -10.756 3.422 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.721 -9.612 2.010 1.00 25.00 H new ATOM 0 HB3 LEU A 599 10.862 -8.733 3.258 1.00 25.00 H new ATOM 0 HG LEU A 599 12.543 -11.203 3.485 1.00 25.00 H new ATOM 0 HD11 LEU A 599 13.542 -9.867 5.360 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.568 -8.969 3.824 1.00 25.00 H new ATOM 0 HD13 LEU A 599 12.342 -8.588 5.057 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.842 -11.491 5.839 1.00 25.00 H new ATOM 0 HD22 LEU A 599 10.579 -10.259 5.602 1.00 25.00 H new ATOM 0 HD23 LEU A 599 10.508 -11.792 4.700 1.00 25.00 H new ATOM 232 N ARG A 600 9.231 -9.252 0.452 1.00 25.00 N ATOM 233 CA ARG A 600 8.506 -8.272 -0.382 1.00 25.00 C ATOM 234 C ARG A 600 7.005 -8.611 -0.527 1.00 25.00 C ATOM 235 O ARG A 600 6.191 -7.730 -0.825 1.00 25.00 O ATOM 236 CB ARG A 600 9.179 -8.131 -1.769 1.00 25.00 C ATOM 237 CG ARG A 600 10.675 -7.812 -1.740 1.00 25.00 C ATOM 238 CD ARG A 600 11.280 -7.842 -3.136 1.00 25.00 C ATOM 239 NE ARG A 600 10.464 -7.099 -4.104 1.00 25.00 N ATOM 240 CZ ARG A 600 10.647 -7.117 -5.433 1.00 25.00 C ATOM 241 NH1 ARG A 600 11.620 -7.837 -5.987 1.00 25.00 N ATOM 242 NH2 ARG A 600 9.846 -6.401 -6.212 1.00 25.00 N ATOM 0 H ARG A 600 9.990 -9.730 -0.033 1.00 25.00 H new ATOM 0 HA ARG A 600 8.561 -7.313 0.133 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.033 -9.059 -2.322 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.667 -7.345 -2.325 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.830 -6.828 -1.297 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.189 -8.533 -1.104 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.283 -7.417 -3.106 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.381 -8.876 -3.465 1.00 25.00 H new ATOM 0 HE ARG A 600 9.702 -6.527 -3.740 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.244 -8.389 -5.399 1.00 25.00 H new ATOM 0 HH12 ARG A 600 11.741 -7.836 -7.000 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.099 -5.843 -5.799 1.00 25.00 H new ATOM 0 HH22 ARG A 600 9.978 -6.409 -7.223 1.00 25.00 H new ATOM 256 N SER A 601 6.661 -9.888 -0.307 1.00 25.00 N ATOM 257 CA SER A 601 5.272 -10.358 -0.371 1.00 25.00 C ATOM 258 C SER A 601 4.538 -10.101 0.956 1.00 25.00 C ATOM 259 O SER A 601 3.323 -9.886 0.965 1.00 25.00 O ATOM 260 CB SER A 601 5.245 -11.855 -0.708 1.00 25.00 C ATOM 261 OG SER A 601 5.790 -12.634 0.346 1.00 25.00 O ATOM 0 H SER A 601 7.335 -10.620 -0.081 1.00 25.00 H new ATOM 0 HA SER A 601 4.757 -9.801 -1.154 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.219 -12.168 -0.900 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.809 -12.033 -1.623 1.00 25.00 H new ATOM 0 HG SER A 601 6.686 -12.305 0.567 1.00 25.00 H new ATOM 267 N HIS A 602 5.294 -10.129 2.069 1.00 25.00 N ATOM 268 CA HIS A 602 4.756 -9.818 3.404 1.00 25.00 C ATOM 269 C HIS A 602 4.712 -8.297 3.624 1.00 25.00 C ATOM 270 O HIS A 602 3.978 -7.804 4.484 1.00 25.00 O ATOM 271 CB HIS A 602 5.611 -10.506 4.486 1.00 25.00 C ATOM 272 CG HIS A 602 5.506 -12.007 4.505 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.395 -12.963 4.145 1.00 25.00 N flip ATOM 274 CD2 HIS A 602 4.375 -12.677 4.924 1.00 25.00 C flip ATOM 275 CE1 HIS A 602 5.793 -14.180 4.353 1.00 25.00 C flip ATOM 276 NE2 HIS A 602 4.575 -13.980 4.825 1.00 25.00 N flip ATOM 0 H HIS A 602 6.286 -10.366 2.068 1.00 25.00 H new ATOM 0 HA HIS A 602 3.737 -10.197 3.474 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.655 -10.230 4.336 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.316 -10.122 5.462 1.00 25.00 H new ATOM 0 HD1 HIS A 602 7.337 -12.808 3.786 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.468 -12.210 5.278 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.242 -15.143 4.162 1.00 25.00 H new ATOM 285 N LEU A 603 5.511 -7.576 2.829 1.00 25.00 N ATOM 286 CA LEU A 603 5.515 -6.107 2.801 1.00 25.00 C ATOM 287 C LEU A 603 4.294 -5.595 2.028 1.00 25.00 C ATOM 288 O LEU A 603 3.721 -4.556 2.365 1.00 25.00 O ATOM 289 CB LEU A 603 6.812 -5.605 2.132 1.00 25.00 C ATOM 290 CG LEU A 603 8.146 -5.607 2.947 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.278 -5.064 2.114 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.086 -4.819 4.244 1.00 25.00 C ATOM 0 H LEU A 603 6.178 -7.997 2.182 1.00 25.00 H new ATOM 0 HA LEU A 603 5.469 -5.728 3.822 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.974 -6.208 1.238 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.634 -4.583 1.799 1.00 25.00 H new ATOM 0 HG LEU A 603 8.314 -6.652 3.208 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.198 -5.074 2.699 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.406 -5.683 1.226 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.050 -4.041 1.813 1.00 25.00 H new ATOM 0 HD21 LEU A 603 9.052 -4.872 4.747 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.847 -3.778 4.027 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.317 -5.241 4.891 1.00 25.00 H new ATOM 304 N VAL A 604 3.918 -6.353 0.985 1.00 25.00 N ATOM 305 CA VAL A 604 2.692 -6.129 0.217 1.00 25.00 C ATOM 306 C VAL A 604 1.453 -6.592 1.016 1.00 25.00 C ATOM 307 O VAL A 604 0.394 -5.969 0.933 1.00 25.00 O ATOM 308 CB VAL A 604 2.794 -6.849 -1.171 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.463 -6.956 -1.901 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.783 -6.126 -2.064 1.00 25.00 C ATOM 0 H VAL A 604 4.466 -7.146 0.651 1.00 25.00 H new ATOM 0 HA VAL A 604 2.574 -5.061 0.034 1.00 25.00 H new ATOM 0 HB VAL A 604 3.131 -7.863 -0.957 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.610 -7.465 -2.853 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.758 -7.522 -1.292 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.066 -5.957 -2.081 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.845 -6.636 -3.025 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.451 -5.099 -2.218 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.765 -6.122 -1.591 1.00 25.00 H new ATOM 320 N HIS A 605 1.607 -7.681 1.788 1.00 25.00 N ATOM 321 CA HIS A 605 0.537 -8.188 2.666 1.00 25.00 C ATOM 322 C HIS A 605 0.359 -7.276 3.895 1.00 25.00 C ATOM 323 O HIS A 605 -0.661 -7.335 4.583 1.00 25.00 O ATOM 324 CB HIS A 605 0.842 -9.632 3.099 1.00 25.00 C ATOM 325 CG HIS A 605 -0.289 -10.323 3.814 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.458 -10.696 3.185 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.427 -10.695 5.111 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.267 -11.264 4.062 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.665 -11.276 5.237 1.00 25.00 N ATOM 0 H HIS A 605 2.466 -8.230 1.822 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.398 -8.185 2.107 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.106 -10.214 2.216 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.716 -9.625 3.750 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.301 -10.560 5.898 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.253 -11.652 3.853 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.056 -11.656 6.099 1.00 25.00 H new ATOM 338 N LYS A 606 1.376 -6.438 4.142 1.00 25.00 N ATOM 339 CA LYS A 606 1.361 -5.435 5.219 1.00 25.00 C ATOM 340 C LYS A 606 0.660 -4.171 4.706 1.00 25.00 C ATOM 341 O LYS A 606 0.051 -3.406 5.458 1.00 25.00 O ATOM 342 CB LYS A 606 2.816 -5.105 5.598 1.00 25.00 C ATOM 343 CG LYS A 606 2.989 -4.143 6.767 1.00 25.00 C ATOM 344 CD LYS A 606 4.459 -4.002 7.124 1.00 25.00 C ATOM 345 CE LYS A 606 4.661 -3.035 8.269 1.00 25.00 C ATOM 346 NZ LYS A 606 6.100 -2.864 8.610 1.00 25.00 N ATOM 0 H LYS A 606 2.238 -6.436 3.597 1.00 25.00 H new ATOM 0 HA LYS A 606 0.830 -5.815 6.092 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.330 -6.036 5.837 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.313 -4.681 4.725 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.576 -3.168 6.508 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.432 -4.506 7.631 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.864 -4.977 7.394 1.00 25.00 H new ATOM 0 HD3 LYS A 606 5.015 -3.657 6.252 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.234 -2.067 8.005 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.121 -3.394 9.145 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.192 -2.193 9.399 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.503 -3.782 8.887 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.612 -2.497 7.782 1.00 25.00 H new ATOM 360 N LEU A 607 0.781 -4.008 3.395 1.00 25.00 N ATOM 361 CA LEU A 607 0.333 -2.847 2.651 1.00 25.00 C ATOM 362 C LEU A 607 -1.141 -2.981 2.213 1.00 25.00 C ATOM 363 O LEU A 607 -1.904 -2.019 2.302 1.00 25.00 O ATOM 364 CB LEU A 607 1.307 -2.740 1.479 1.00 25.00 C ATOM 365 CG LEU A 607 0.998 -1.806 0.292 1.00 25.00 C ATOM 366 CD1 LEU A 607 0.668 -0.375 0.700 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.208 -1.784 -0.603 1.00 25.00 C ATOM 0 H LEU A 607 1.213 -4.714 2.799 1.00 25.00 H new ATOM 0 HA LEU A 607 0.342 -1.936 3.250 1.00 25.00 H new ATOM 0 HB2 LEU A 607 2.270 -2.435 1.887 1.00 25.00 H new ATOM 0 HB3 LEU A 607 1.436 -3.744 1.074 1.00 25.00 H new ATOM 0 HG LEU A 607 0.111 -2.197 -0.207 1.00 25.00 H new ATOM 0 HD11 LEU A 607 0.463 0.219 -0.191 1.00 25.00 H new ATOM 0 HD12 LEU A 607 -0.209 -0.374 1.347 1.00 25.00 H new ATOM 0 HD13 LEU A 607 1.514 0.055 1.236 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.019 -1.130 -1.454 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.067 -1.413 -0.044 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.415 -2.793 -0.960 1.00 25.00 H new ATOM 379 N VAL A 608 -1.524 -4.189 1.765 1.00 25.00 N ATOM 380 CA VAL A 608 -2.910 -4.498 1.346 1.00 25.00 C ATOM 381 C VAL A 608 -3.855 -4.596 2.569 1.00 25.00 C ATOM 382 O VAL A 608 -5.059 -4.367 2.437 1.00 25.00 O ATOM 383 CB VAL A 608 -2.949 -5.825 0.504 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.369 -6.356 0.310 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.296 -5.623 -0.865 1.00 25.00 C ATOM 0 H VAL A 608 -0.886 -4.980 1.682 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.262 -3.680 0.717 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.388 -6.564 1.075 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.337 -7.273 -0.278 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -4.816 -6.564 1.282 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -4.968 -5.610 -0.213 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.336 -6.555 -1.428 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.830 -4.846 -1.412 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.256 -5.324 -0.732 1.00 25.00 H new ATOM 395 N GLN A 609 -3.298 -4.913 3.751 1.00 25.00 N ATOM 396 CA GLN A 609 -4.101 -5.047 4.979 1.00 25.00 C ATOM 397 C GLN A 609 -4.376 -3.677 5.622 1.00 25.00 C ATOM 398 O GLN A 609 -5.388 -3.494 6.305 1.00 25.00 O ATOM 399 CB GLN A 609 -3.438 -6.011 5.984 1.00 25.00 C ATOM 400 CG GLN A 609 -3.330 -7.438 5.490 1.00 25.00 C ATOM 401 CD GLN A 609 -4.667 -8.040 5.100 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.613 -8.040 5.886 1.00 25.00 O ATOM 403 NE2 GLN A 609 -4.751 -8.564 3.881 1.00 25.00 N ATOM 0 H GLN A 609 -2.300 -5.080 3.882 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.061 -5.477 4.694 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.440 -5.643 6.220 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.009 -6.001 6.912 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -2.661 -7.468 4.630 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -2.876 -8.051 6.268 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -3.942 -8.543 3.260 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -5.624 -8.987 3.567 1.00 25.00 H new ATOM 412 N ALA A 610 -3.459 -2.727 5.390 1.00 25.00 N ATOM 413 CA ALA A 610 -3.605 -1.350 5.864 1.00 25.00 C ATOM 414 C ALA A 610 -4.611 -0.566 5.014 1.00 25.00 C ATOM 415 O ALA A 610 -5.276 0.346 5.513 1.00 25.00 O ATOM 416 CB ALA A 610 -2.253 -0.664 5.843 1.00 25.00 C ATOM 0 H ALA A 610 -2.598 -2.894 4.869 1.00 25.00 H new ATOM 0 HA ALA A 610 -3.988 -1.376 6.884 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.360 0.362 6.196 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.562 -1.201 6.493 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.863 -0.659 4.825 1.00 25.00 H new ATOM 422 N ILE A 611 -4.714 -0.940 3.730 1.00 25.00 N ATOM 423 CA ILE A 611 -5.664 -0.317 2.800 1.00 25.00 C ATOM 424 C ILE A 611 -7.051 -0.965 2.972 1.00 25.00 C ATOM 425 O ILE A 611 -8.035 -0.268 3.236 1.00 25.00 O ATOM 426 CB ILE A 611 -5.170 -0.421 1.315 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.860 0.366 1.137 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.228 0.122 0.349 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.161 0.168 -0.197 1.00 25.00 C ATOM 0 H ILE A 611 -4.146 -1.676 3.311 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.736 0.745 3.035 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.996 -1.473 1.089 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.073 1.428 1.263 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.173 0.082 1.934 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.863 0.039 -0.675 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.147 -0.455 0.454 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.428 1.168 0.579 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.249 0.765 -0.222 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.909 -0.885 -0.323 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.823 0.482 -1.004 1.00 25.00 H new ATOM 441 N PHE A 612 -7.111 -2.297 2.815 1.00 25.00 N ATOM 442 CA PHE A 612 -8.323 -3.061 3.090 1.00 25.00 C ATOM 443 C PHE A 612 -7.968 -4.417 3.749 1.00 25.00 C ATOM 444 O PHE A 612 -7.406 -5.290 3.079 1.00 25.00 O ATOM 445 CB PHE A 612 -9.130 -3.269 1.787 1.00 25.00 C ATOM 446 CG PHE A 612 -10.363 -4.123 1.947 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.531 -3.574 2.445 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.354 -5.462 1.589 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.671 -4.343 2.585 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.488 -6.237 1.727 1.00 25.00 C ATOM 451 CZ PHE A 612 -12.650 -5.678 2.226 1.00 25.00 C ATOM 0 H PHE A 612 -6.325 -2.864 2.497 1.00 25.00 H new ATOM 0 HA PHE A 612 -8.944 -2.500 3.788 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.426 -2.295 1.398 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.480 -3.727 1.041 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.552 -2.532 2.728 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.450 -5.904 1.198 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.577 -3.902 2.974 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -11.468 -7.279 1.445 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.538 -6.282 2.335 1.00 25.00 H new ATOM 461 N PRO A 613 -8.282 -4.627 5.073 1.00 25.00 N ATOM 462 CA PRO A 613 -8.105 -5.939 5.731 1.00 25.00 C ATOM 463 C PRO A 613 -9.056 -7.003 5.173 1.00 25.00 C ATOM 464 O PRO A 613 -10.244 -6.733 4.963 1.00 25.00 O ATOM 465 CB PRO A 613 -8.423 -5.667 7.211 1.00 25.00 C ATOM 466 CG PRO A 613 -9.322 -4.483 7.211 1.00 25.00 C ATOM 467 CD PRO A 613 -8.790 -3.624 6.037 1.00 25.00 C ATOM 0 HA PRO A 613 -7.101 -6.331 5.569 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.907 -6.527 7.673 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.513 -5.470 7.778 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.363 -4.769 7.059 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -9.275 -3.943 8.157 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.578 -3.011 5.600 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.002 -2.945 6.362 1.00 25.00 H new ATOM 475 N THR A 614 -8.522 -8.204 4.934 1.00 25.00 N ATOM 476 CA THR A 614 -9.296 -9.290 4.340 1.00 25.00 C ATOM 477 C THR A 614 -9.644 -10.388 5.352 1.00 25.00 C ATOM 478 O THR A 614 -8.750 -11.066 5.871 1.00 25.00 O ATOM 479 CB THR A 614 -8.576 -9.939 3.145 1.00 25.00 C ATOM 480 OG1 THR A 614 -7.463 -9.140 2.723 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.537 -10.170 1.991 1.00 25.00 C ATOM 0 H THR A 614 -7.554 -8.446 5.145 1.00 25.00 H new ATOM 0 HA THR A 614 -10.216 -8.820 3.994 1.00 25.00 H new ATOM 0 HB THR A 614 -8.196 -10.908 3.470 1.00 25.00 H new ATOM 0 HG1 THR A 614 -7.019 -9.572 1.964 1.00 25.00 H new ATOM 0 HG21 THR A 614 -9.003 -10.630 1.159 1.00 25.00 H new ATOM 0 HG22 THR A 614 -10.342 -10.830 2.314 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.956 -9.216 1.670 1.00 25.00 H new ATOM 489 N PRO A 615 -10.965 -10.564 5.663 1.00 25.00 N ATOM 490 CA PRO A 615 -11.477 -11.737 6.408 1.00 25.00 C ATOM 491 C PRO A 615 -11.213 -13.061 5.683 1.00 25.00 C ATOM 492 O PRO A 615 -10.663 -14.003 6.259 1.00 25.00 O ATOM 493 CB PRO A 615 -12.985 -11.487 6.461 1.00 25.00 C ATOM 494 CG PRO A 615 -13.123 -10.011 6.434 1.00 25.00 C ATOM 495 CD PRO A 615 -12.061 -9.609 5.366 1.00 25.00 C ATOM 0 HA PRO A 615 -10.994 -11.832 7.380 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -13.493 -11.948 5.614 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -13.425 -11.909 7.364 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -14.128 -9.700 6.148 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -12.915 -9.563 7.406 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.439 -9.721 4.350 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.742 -8.572 5.475 1.00 25.00 H new ATOM 503 N ASP A 616 -11.629 -13.100 4.415 1.00 25.00 N ATOM 504 CA ASP A 616 -11.468 -14.280 3.560 1.00 25.00 C ATOM 505 C ASP A 616 -10.406 -14.043 2.472 1.00 25.00 C ATOM 506 O ASP A 616 -10.517 -13.082 1.702 1.00 25.00 O ATOM 507 CB ASP A 616 -12.806 -14.657 2.907 1.00 25.00 C ATOM 508 CG ASP A 616 -12.778 -16.029 2.253 1.00 25.00 C ATOM 509 OD1 ASP A 616 -11.670 -16.575 2.065 1.00 25.00 O ATOM 510 OD2 ASP A 616 -13.864 -16.554 1.929 1.00 25.00 O ATOM 0 H ASP A 616 -12.087 -12.315 3.952 1.00 25.00 H new ATOM 0 HA ASP A 616 -11.133 -15.102 4.193 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -13.592 -14.636 3.662 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.063 -13.908 2.158 1.00 25.00 H new ATOM 515 N PRO A 617 -9.341 -14.911 2.397 1.00 25.00 N ATOM 516 CA PRO A 617 -8.313 -14.845 1.323 1.00 25.00 C ATOM 517 C PRO A 617 -8.870 -15.064 -0.101 1.00 25.00 C ATOM 518 O PRO A 617 -8.159 -14.847 -1.088 1.00 25.00 O ATOM 519 CB PRO A 617 -7.346 -15.983 1.687 1.00 25.00 C ATOM 520 CG PRO A 617 -7.556 -16.216 3.144 1.00 25.00 C ATOM 521 CD PRO A 617 -9.016 -15.994 3.367 1.00 25.00 C ATOM 0 HA PRO A 617 -7.861 -13.854 1.284 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -7.559 -16.882 1.109 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -6.313 -15.706 1.476 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -7.263 -17.227 3.428 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -6.957 -15.530 3.743 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -9.596 -16.897 3.174 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -9.227 -15.693 4.393 1.00 25.00 H new ATOM 529 N ALA A 618 -10.140 -15.491 -0.189 1.00 25.00 N ATOM 530 CA ALA A 618 -10.797 -15.779 -1.472 1.00 25.00 C ATOM 531 C ALA A 618 -11.248 -14.504 -2.205 1.00 25.00 C ATOM 532 O ALA A 618 -11.670 -14.565 -3.365 1.00 25.00 O ATOM 533 CB ALA A 618 -11.985 -16.705 -1.246 1.00 25.00 C ATOM 0 H ALA A 618 -10.737 -15.645 0.624 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.062 -16.268 -2.111 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -12.469 -16.916 -2.200 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -11.640 -17.638 -0.801 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -12.698 -16.225 -0.576 1.00 25.00 H new ATOM 539 N ALA A 619 -11.143 -13.353 -1.522 1.00 25.00 N ATOM 540 CA ALA A 619 -11.517 -12.050 -2.096 1.00 25.00 C ATOM 541 C ALA A 619 -10.411 -11.475 -2.990 1.00 25.00 C ATOM 542 O ALA A 619 -10.619 -10.469 -3.679 1.00 25.00 O ATOM 543 CB ALA A 619 -11.832 -11.065 -0.981 1.00 25.00 C ATOM 0 H ALA A 619 -10.799 -13.299 -0.563 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.399 -12.208 -2.717 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.108 -10.103 -1.413 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.660 -11.445 -0.383 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.954 -10.940 -0.347 1.00 25.00 H new ATOM 549 N LEU A 620 -9.246 -12.132 -2.981 1.00 25.00 N ATOM 550 CA LEU A 620 -8.062 -11.662 -3.701 1.00 25.00 C ATOM 551 C LEU A 620 -8.078 -12.081 -5.184 1.00 25.00 C ATOM 552 O LEU A 620 -7.129 -11.797 -5.924 1.00 25.00 O ATOM 553 CB LEU A 620 -6.786 -12.202 -3.009 1.00 25.00 C ATOM 554 CG LEU A 620 -6.491 -11.753 -1.547 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.291 -12.492 -0.960 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.286 -10.245 -1.442 1.00 25.00 C ATOM 0 H LEU A 620 -9.100 -13.005 -2.474 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.067 -10.572 -3.674 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.839 -13.291 -3.018 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.930 -11.919 -3.622 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.373 -12.014 -0.962 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.117 -12.151 0.061 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.490 -13.564 -0.956 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.407 -12.290 -1.565 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.083 -9.977 -0.405 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.443 -9.948 -2.065 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.186 -9.731 -1.780 1.00 25.00 H new ATOM 568 N LYS A 621 -9.165 -12.740 -5.607 1.00 25.00 N ATOM 569 CA LYS A 621 -9.307 -13.227 -6.986 1.00 25.00 C ATOM 570 C LYS A 621 -10.220 -12.284 -7.800 1.00 25.00 C ATOM 571 O LYS A 621 -10.675 -12.626 -8.897 1.00 25.00 O ATOM 572 CB LYS A 621 -9.861 -14.671 -6.969 1.00 25.00 C ATOM 573 CG LYS A 621 -8.964 -15.714 -6.292 1.00 25.00 C ATOM 574 CD LYS A 621 -9.592 -17.104 -6.302 1.00 25.00 C ATOM 575 CE LYS A 621 -8.708 -18.120 -5.613 1.00 25.00 C ATOM 576 NZ LYS A 621 -9.316 -19.479 -5.613 1.00 25.00 N ATOM 0 H LYS A 621 -9.964 -12.949 -5.009 1.00 25.00 H new ATOM 0 HA LYS A 621 -8.330 -13.237 -7.470 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -10.827 -14.665 -6.464 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -10.041 -14.985 -7.997 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -8.001 -15.748 -6.801 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -8.770 -15.412 -5.263 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -10.562 -17.069 -5.806 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -9.771 -17.415 -7.331 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -7.740 -18.156 -6.112 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -8.525 -17.804 -4.586 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -8.678 -20.145 -5.131 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -10.228 -19.451 -5.114 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -9.467 -19.792 -6.593 1.00 25.00 H new ATOM 590 N ASP A 622 -10.459 -11.088 -7.248 1.00 25.00 N ATOM 591 CA ASP A 622 -11.335 -10.091 -7.863 1.00 25.00 C ATOM 592 C ASP A 622 -10.542 -9.187 -8.819 1.00 25.00 C ATOM 593 O ASP A 622 -9.349 -8.941 -8.616 1.00 25.00 O ATOM 594 CB ASP A 622 -12.002 -9.264 -6.756 1.00 25.00 C ATOM 595 CG ASP A 622 -13.259 -8.544 -7.221 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.136 -7.591 -8.017 1.00 25.00 O ATOM 597 OD2 ASP A 622 -14.363 -8.936 -6.788 1.00 25.00 O ATOM 0 H ASP A 622 -10.050 -10.787 -6.363 1.00 25.00 H new ATOM 0 HA ASP A 622 -12.103 -10.594 -8.450 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -12.254 -9.920 -5.923 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.289 -8.530 -6.380 1.00 25.00 H new ATOM 602 N ARG A 623 -11.236 -8.698 -9.859 1.00 25.00 N ATOM 603 CA ARG A 623 -10.620 -7.893 -10.933 1.00 25.00 C ATOM 604 C ARG A 623 -10.433 -6.448 -10.489 1.00 25.00 C ATOM 605 O ARG A 623 -9.457 -5.790 -10.857 1.00 25.00 O ATOM 606 CB ARG A 623 -11.493 -7.907 -12.200 1.00 25.00 C ATOM 607 CG ARG A 623 -11.598 -9.266 -12.871 1.00 25.00 C ATOM 608 CD ARG A 623 -10.381 -9.598 -13.734 1.00 25.00 C ATOM 609 NE ARG A 623 -9.222 -10.027 -12.936 1.00 25.00 N ATOM 610 CZ ARG A 623 -9.124 -11.202 -12.297 1.00 25.00 C ATOM 611 NH1 ARG A 623 -10.108 -12.100 -12.347 1.00 25.00 N ATOM 612 NH2 ARG A 623 -8.030 -11.478 -11.600 1.00 25.00 N ATOM 0 H ARG A 623 -12.238 -8.847 -9.982 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.649 -8.337 -11.153 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.495 -7.564 -11.941 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -11.087 -7.192 -12.915 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.716 -10.035 -12.107 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.494 -9.292 -13.491 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -10.644 -10.387 -14.439 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.108 -8.722 -14.323 1.00 25.00 H new ATOM 0 HE ARG A 623 -8.434 -9.383 -12.863 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -10.955 -11.899 -12.878 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -10.014 -12.988 -11.854 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.271 -10.799 -11.553 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.948 -12.370 -11.111 1.00 25.00 H new ATOM 626 N ARG A 624 -11.405 -5.972 -9.705 1.00 25.00 N ATOM 627 CA ARG A 624 -11.392 -4.604 -9.152 1.00 25.00 C ATOM 628 C ARG A 624 -10.302 -4.423 -8.084 1.00 25.00 C ATOM 629 O ARG A 624 -9.788 -3.316 -7.897 1.00 25.00 O ATOM 630 CB ARG A 624 -12.765 -4.252 -8.549 1.00 25.00 C ATOM 631 CG ARG A 624 -13.890 -4.029 -9.572 1.00 25.00 C ATOM 632 CD ARG A 624 -15.187 -3.519 -8.937 1.00 25.00 C ATOM 633 NE ARG A 624 -15.057 -2.159 -8.392 1.00 25.00 N ATOM 634 CZ ARG A 624 -15.229 -1.032 -9.099 1.00 25.00 C ATOM 635 NH1 ARG A 624 -15.552 -1.070 -10.391 1.00 25.00 N ATOM 636 NH2 ARG A 624 -15.079 0.145 -8.503 1.00 25.00 N ATOM 0 H ARG A 624 -12.223 -6.518 -9.433 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.170 -3.929 -9.979 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.064 -5.053 -7.873 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.659 -3.350 -7.947 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.554 -3.313 -10.322 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.091 -4.966 -10.092 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.981 -3.532 -9.683 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -15.487 -4.198 -8.139 1.00 25.00 H new ATOM 0 HE ARG A 624 -14.819 -2.066 -7.405 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -15.673 -1.968 -10.860 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -15.678 -0.202 -10.911 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -14.834 0.188 -7.514 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -15.208 1.006 -9.034 1.00 25.00 H new ATOM 650 N MET A 625 -9.953 -5.523 -7.401 1.00 25.00 N ATOM 651 CA MET A 625 -8.937 -5.506 -6.342 1.00 25.00 C ATOM 652 C MET A 625 -7.526 -5.689 -6.918 1.00 25.00 C ATOM 653 O MET A 625 -6.566 -5.110 -6.405 1.00 25.00 O ATOM 654 CB MET A 625 -9.239 -6.610 -5.315 1.00 25.00 C ATOM 655 CG MET A 625 -8.453 -6.498 -4.002 1.00 25.00 C ATOM 656 SD MET A 625 -8.909 -7.768 -2.800 1.00 25.00 S ATOM 657 CE MET A 625 -8.235 -7.078 -1.290 1.00 25.00 C ATOM 0 H MET A 625 -10.364 -6.442 -7.566 1.00 25.00 H new ATOM 0 HA MET A 625 -8.972 -4.534 -5.851 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.305 -6.593 -5.087 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.025 -7.578 -5.769 1.00 25.00 H new ATOM 0 HG2 MET A 625 -7.387 -6.573 -4.215 1.00 25.00 H new ATOM 0 HG3 MET A 625 -8.623 -5.514 -3.565 1.00 25.00 H new ATOM 0 HE1 MET A 625 -8.439 -7.753 -0.459 1.00 25.00 H new ATOM 0 HE2 MET A 625 -7.158 -6.950 -1.397 1.00 25.00 H new ATOM 0 HE3 MET A 625 -8.697 -6.111 -1.094 1.00 25.00 H new ATOM 667 N GLU A 626 -7.419 -6.507 -7.976 1.00 25.00 N ATOM 668 CA GLU A 626 -6.135 -6.796 -8.644 1.00 25.00 C ATOM 669 C GLU A 626 -5.407 -5.514 -9.122 1.00 25.00 C ATOM 670 O GLU A 626 -4.190 -5.532 -9.330 1.00 25.00 O ATOM 671 CB GLU A 626 -6.359 -7.760 -9.820 1.00 25.00 C ATOM 672 CG GLU A 626 -5.074 -8.356 -10.393 1.00 25.00 C ATOM 673 CD GLU A 626 -5.328 -9.264 -11.582 1.00 25.00 C ATOM 674 OE1 GLU A 626 -6.450 -9.230 -12.126 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.401 -10.008 -11.968 1.00 25.00 O ATOM 0 H GLU A 626 -8.216 -6.987 -8.394 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.486 -7.267 -7.906 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -7.008 -8.572 -9.492 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.887 -7.231 -10.614 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.407 -7.548 -10.694 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.561 -8.920 -9.614 1.00 25.00 H new ATOM 682 N ASN A 627 -6.163 -4.413 -9.285 1.00 25.00 N ATOM 683 CA ASN A 627 -5.591 -3.109 -9.668 1.00 25.00 C ATOM 684 C ASN A 627 -4.926 -2.413 -8.469 1.00 25.00 C ATOM 685 O ASN A 627 -3.985 -1.632 -8.641 1.00 25.00 O ATOM 686 CB ASN A 627 -6.678 -2.197 -10.267 1.00 25.00 C ATOM 687 CG ASN A 627 -7.140 -2.607 -11.666 1.00 25.00 C ATOM 688 OD1 ASN A 627 -6.367 -3.180 -12.434 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.389 -2.301 -12.016 1.00 25.00 N ATOM 0 H ASN A 627 -7.175 -4.401 -9.157 1.00 25.00 H new ATOM 0 HA ASN A 627 -4.825 -3.295 -10.421 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.540 -2.191 -9.599 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.298 -1.176 -10.307 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -8.732 -2.542 -12.946 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.002 -1.826 -11.354 1.00 25.00 H new ATOM 696 N LEU A 628 -5.430 -2.709 -7.262 1.00 25.00 N ATOM 697 CA LEU A 628 -4.848 -2.209 -6.008 1.00 25.00 C ATOM 698 C LEU A 628 -3.710 -3.140 -5.538 1.00 25.00 C ATOM 699 O LEU A 628 -2.728 -2.679 -4.950 1.00 25.00 O ATOM 700 CB LEU A 628 -5.985 -2.001 -4.954 1.00 25.00 C ATOM 701 CG LEU A 628 -6.952 -0.790 -5.084 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.998 -0.717 -3.992 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.173 0.509 -5.063 1.00 25.00 C ATOM 0 H LEU A 628 -6.250 -3.300 -7.128 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.384 -1.234 -6.159 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.595 -2.904 -4.952 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -5.511 -1.934 -3.975 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.468 -0.937 -6.033 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.633 0.154 -4.154 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -8.609 -1.620 -4.012 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -7.507 -0.633 -3.023 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.862 1.348 -5.155 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -5.626 0.590 -4.124 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.469 0.525 -5.895 1.00 25.00 H new ATOM 715 N VAL A 629 -3.845 -4.445 -5.830 1.00 25.00 N ATOM 716 CA VAL A 629 -2.761 -5.431 -5.630 1.00 25.00 C ATOM 717 C VAL A 629 -1.536 -5.054 -6.490 1.00 25.00 C ATOM 718 O VAL A 629 -0.391 -5.270 -6.086 1.00 25.00 O ATOM 719 CB VAL A 629 -3.259 -6.869 -6.004 1.00 25.00 C ATOM 720 CG1 VAL A 629 -2.149 -7.926 -5.962 1.00 25.00 C ATOM 721 CG2 VAL A 629 -4.409 -7.290 -5.096 1.00 25.00 C ATOM 0 H VAL A 629 -4.702 -4.848 -6.209 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.471 -5.423 -4.579 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.603 -6.812 -7.037 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.562 -8.898 -6.231 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.364 -7.657 -6.668 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.731 -7.975 -4.956 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.742 -8.291 -5.371 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -4.072 -7.291 -4.059 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -5.236 -6.589 -5.208 1.00 25.00 H new ATOM 731 N ALA A 630 -1.814 -4.482 -7.668 1.00 25.00 N ATOM 732 CA ALA A 630 -0.781 -4.096 -8.627 1.00 25.00 C ATOM 733 C ALA A 630 -0.187 -2.718 -8.312 1.00 25.00 C ATOM 734 O ALA A 630 0.906 -2.386 -8.781 1.00 25.00 O ATOM 735 CB ALA A 630 -1.363 -4.135 -10.029 1.00 25.00 C ATOM 0 H ALA A 630 -2.763 -4.275 -7.980 1.00 25.00 H new ATOM 0 HA ALA A 630 0.041 -4.808 -8.555 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.597 -3.848 -10.749 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.710 -5.144 -10.251 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.201 -3.441 -10.095 1.00 25.00 H new ATOM 741 N TYR A 631 -0.919 -1.919 -7.515 1.00 25.00 N ATOM 742 CA TYR A 631 -0.402 -0.654 -6.978 1.00 25.00 C ATOM 743 C TYR A 631 0.618 -0.931 -5.857 1.00 25.00 C ATOM 744 O TYR A 631 1.656 -0.267 -5.777 1.00 25.00 O ATOM 745 CB TYR A 631 -1.583 0.244 -6.486 1.00 25.00 C ATOM 746 CG TYR A 631 -1.358 1.758 -6.573 1.00 25.00 C ATOM 747 CD1 TYR A 631 -2.320 2.587 -7.145 1.00 25.00 C ATOM 748 CD2 TYR A 631 -0.211 2.351 -6.048 1.00 25.00 C ATOM 749 CE1 TYR A 631 -2.141 3.956 -7.191 1.00 25.00 C ATOM 750 CE2 TYR A 631 -0.029 3.717 -6.096 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.901 4.495 -6.792 1.00 25.00 C ATOM 752 OH TYR A 631 -0.822 5.880 -6.710 1.00 25.00 O ATOM 0 H TYR A 631 -1.875 -2.131 -7.229 1.00 25.00 H new ATOM 0 HA TYR A 631 0.117 -0.110 -7.767 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.470 -0.005 -7.068 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.800 -0.012 -5.449 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -3.219 2.153 -7.558 1.00 25.00 H new ATOM 0 HD2 TYR A 631 0.548 1.730 -5.596 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -2.938 4.603 -7.527 1.00 25.00 H new ATOM 0 HE2 TYR A 631 0.806 4.169 -5.581 1.00 25.00 H new ATOM 0 HH TYR A 631 0.079 6.140 -6.424 1.00 25.00 H new ATOM 762 N ALA A 632 0.306 -1.918 -5.009 1.00 25.00 N ATOM 763 CA ALA A 632 1.139 -2.251 -3.853 1.00 25.00 C ATOM 764 C ALA A 632 2.343 -3.105 -4.250 1.00 25.00 C ATOM 765 O ALA A 632 3.409 -3.016 -3.635 1.00 25.00 O ATOM 766 CB ALA A 632 0.321 -2.981 -2.817 1.00 25.00 C ATOM 0 H ALA A 632 -0.524 -2.503 -5.105 1.00 25.00 H new ATOM 0 HA ALA A 632 1.511 -1.315 -3.436 1.00 25.00 H new ATOM 0 HB1 ALA A 632 0.951 -3.224 -1.961 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.504 -2.347 -2.492 1.00 25.00 H new ATOM 0 HB3 ALA A 632 -0.076 -3.900 -3.248 1.00 25.00 H new ATOM 772 N LYS A 633 2.154 -3.934 -5.290 1.00 25.00 N ATOM 773 CA LYS A 633 3.216 -4.791 -5.835 1.00 25.00 C ATOM 774 C LYS A 633 4.302 -3.943 -6.524 1.00 25.00 C ATOM 775 O LYS A 633 5.436 -4.391 -6.709 1.00 25.00 O ATOM 776 CB LYS A 633 2.604 -5.766 -6.856 1.00 25.00 C ATOM 777 CG LYS A 633 2.131 -7.102 -6.278 1.00 25.00 C ATOM 778 CD LYS A 633 1.295 -7.898 -7.277 1.00 25.00 C ATOM 779 CE LYS A 633 1.380 -9.400 -7.030 1.00 25.00 C ATOM 780 NZ LYS A 633 0.552 -10.184 -7.995 1.00 25.00 N ATOM 0 H LYS A 633 1.262 -4.028 -5.775 1.00 25.00 H new ATOM 0 HA LYS A 633 3.676 -5.344 -5.016 1.00 25.00 H new ATOM 0 HB2 LYS A 633 1.758 -5.277 -7.339 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.343 -5.965 -7.632 1.00 25.00 H new ATOM 0 HG2 LYS A 633 2.996 -7.693 -5.978 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.543 -6.919 -5.379 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.255 -7.579 -7.213 1.00 25.00 H new ATOM 0 HD3 LYS A 633 1.634 -7.678 -8.289 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.420 -9.719 -7.104 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.052 -9.617 -6.014 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.643 -11.199 -7.786 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.445 -9.900 -7.907 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 0.881 -9.999 -8.964 1.00 25.00 H new ATOM 794 N LYS A 634 3.913 -2.715 -6.900 1.00 25.00 N ATOM 795 CA LYS A 634 4.773 -1.775 -7.622 1.00 25.00 C ATOM 796 C LYS A 634 5.645 -0.926 -6.674 1.00 25.00 C ATOM 797 O LYS A 634 6.816 -0.677 -6.977 1.00 25.00 O ATOM 798 CB LYS A 634 3.883 -0.868 -8.501 1.00 25.00 C ATOM 799 CG LYS A 634 4.637 0.169 -9.347 1.00 25.00 C ATOM 800 CD LYS A 634 5.702 -0.463 -10.251 1.00 25.00 C ATOM 801 CE LYS A 634 6.418 0.566 -11.131 1.00 25.00 C ATOM 802 NZ LYS A 634 7.449 -0.069 -11.997 1.00 25.00 N ATOM 0 H LYS A 634 2.982 -2.346 -6.707 1.00 25.00 H new ATOM 0 HA LYS A 634 5.463 -2.346 -8.243 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.296 -1.499 -9.168 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.178 -0.343 -7.856 1.00 25.00 H new ATOM 0 HG2 LYS A 634 3.924 0.717 -9.962 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.112 0.894 -8.686 1.00 25.00 H new ATOM 0 HD2 LYS A 634 6.436 -0.980 -9.633 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.234 -1.215 -10.886 1.00 25.00 H new ATOM 0 HE2 LYS A 634 5.688 1.082 -11.754 1.00 25.00 H new ATOM 0 HE3 LYS A 634 6.888 1.320 -10.500 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 7.911 0.660 -12.577 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 8.160 -0.540 -11.402 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 6.997 -0.771 -12.618 1.00 25.00 H new ATOM 816 N VAL A 635 5.075 -0.492 -5.535 1.00 25.00 N ATOM 817 CA VAL A 635 5.706 0.550 -4.700 1.00 25.00 C ATOM 818 C VAL A 635 7.010 0.095 -4.017 1.00 25.00 C ATOM 819 O VAL A 635 8.033 0.767 -4.161 1.00 25.00 O ATOM 820 CB VAL A 635 4.729 1.177 -3.651 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.482 2.064 -2.672 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.575 1.960 -4.281 1.00 25.00 C ATOM 0 H VAL A 635 4.188 -0.842 -5.173 1.00 25.00 H new ATOM 0 HA VAL A 635 5.973 1.330 -5.413 1.00 25.00 H new ATOM 0 HB VAL A 635 4.286 0.335 -3.119 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.782 2.488 -1.953 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.229 1.471 -2.144 1.00 25.00 H new ATOM 0 HG13 VAL A 635 5.976 2.869 -3.216 1.00 25.00 H new ATOM 0 HG21 VAL A 635 2.939 2.366 -3.495 1.00 25.00 H new ATOM 0 HG22 VAL A 635 3.975 2.777 -4.882 1.00 25.00 H new ATOM 0 HG23 VAL A 635 2.988 1.296 -4.916 1.00 25.00 H new ATOM 832 N GLU A 636 6.981 -1.051 -3.304 1.00 25.00 N ATOM 833 CA GLU A 636 8.153 -1.546 -2.532 1.00 25.00 C ATOM 834 C GLU A 636 9.411 -1.761 -3.398 1.00 25.00 C ATOM 835 O GLU A 636 10.528 -1.800 -2.871 1.00 25.00 O ATOM 836 CB GLU A 636 7.829 -2.829 -1.727 1.00 25.00 C ATOM 837 CG GLU A 636 7.251 -3.989 -2.528 1.00 25.00 C ATOM 838 CD GLU A 636 8.301 -4.819 -3.252 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.394 -5.021 -2.683 1.00 25.00 O ATOM 840 OE2 GLU A 636 8.027 -5.264 -4.385 1.00 25.00 O ATOM 0 H GLU A 636 6.161 -1.655 -3.244 1.00 25.00 H new ATOM 0 HA GLU A 636 8.381 -0.747 -1.827 1.00 25.00 H new ATOM 0 HB2 GLU A 636 8.743 -3.169 -1.239 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.123 -2.571 -0.937 1.00 25.00 H new ATOM 0 HG2 GLU A 636 6.688 -4.637 -1.856 1.00 25.00 H new ATOM 0 HG3 GLU A 636 6.544 -3.597 -3.259 1.00 25.00 H new ATOM 847 N GLY A 637 9.218 -1.900 -4.722 1.00 25.00 N ATOM 848 CA GLY A 637 10.342 -2.002 -5.657 1.00 25.00 C ATOM 849 C GLY A 637 11.092 -0.681 -5.838 1.00 25.00 C ATOM 850 O GLY A 637 12.263 -0.676 -6.225 1.00 25.00 O ATOM 0 H GLY A 637 8.299 -1.944 -5.162 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.037 -2.762 -5.299 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.972 -2.339 -6.625 1.00 25.00 H new ATOM 854 N ASP A 638 10.397 0.433 -5.560 1.00 25.00 N ATOM 855 CA ASP A 638 10.995 1.777 -5.583 1.00 25.00 C ATOM 856 C ASP A 638 11.626 2.126 -4.229 1.00 25.00 C ATOM 857 O ASP A 638 12.472 3.022 -4.148 1.00 25.00 O ATOM 858 CB ASP A 638 9.938 2.828 -5.950 1.00 25.00 C ATOM 859 CG ASP A 638 9.402 2.660 -7.361 1.00 25.00 C ATOM 860 OD1 ASP A 638 10.202 2.342 -8.267 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.182 2.847 -7.560 1.00 25.00 O ATOM 0 H ASP A 638 9.407 0.428 -5.314 1.00 25.00 H new ATOM 0 HA ASP A 638 11.780 1.779 -6.340 1.00 25.00 H new ATOM 0 HB2 ASP A 638 9.111 2.766 -5.243 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.371 3.823 -5.847 1.00 25.00 H new ATOM 866 N MET A 639 11.208 1.407 -3.170 1.00 25.00 N ATOM 867 CA MET A 639 11.767 1.587 -1.819 1.00 25.00 C ATOM 868 C MET A 639 13.195 1.042 -1.716 1.00 25.00 C ATOM 869 O MET A 639 13.998 1.532 -0.917 1.00 25.00 O ATOM 870 CB MET A 639 10.888 0.914 -0.765 1.00 25.00 C ATOM 871 CG MET A 639 9.464 1.416 -0.765 1.00 25.00 C ATOM 872 SD MET A 639 8.523 0.847 0.652 1.00 25.00 S ATOM 873 CE MET A 639 9.313 -0.724 0.934 1.00 25.00 C ATOM 0 H MET A 639 10.482 0.693 -3.226 1.00 25.00 H new ATOM 0 HA MET A 639 11.793 2.660 -1.632 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.886 -0.162 -0.937 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.324 1.079 0.220 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.468 2.506 -0.778 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.969 1.088 -1.679 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.721 -1.308 1.639 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.393 -1.266 -0.009 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.310 -0.562 1.345 1.00 25.00 H new ATOM 883 N TYR A 640 13.497 0.025 -2.536 1.00 25.00 N ATOM 884 CA TYR A 640 14.835 -0.575 -2.604 1.00 25.00 C ATOM 885 C TYR A 640 15.785 0.324 -3.409 1.00 25.00 C ATOM 886 O TYR A 640 17.006 0.286 -3.224 1.00 25.00 O ATOM 887 CB TYR A 640 14.741 -1.962 -3.260 1.00 25.00 C ATOM 888 CG TYR A 640 16.041 -2.743 -3.273 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.519 -3.368 -2.127 1.00 25.00 C ATOM 890 CD2 TYR A 640 16.793 -2.845 -4.438 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.707 -4.074 -2.143 1.00 25.00 C ATOM 892 CE2 TYR A 640 17.980 -3.548 -4.462 1.00 25.00 C ATOM 893 CZ TYR A 640 18.416 -4.188 -3.280 1.00 25.00 C ATOM 894 OH TYR A 640 19.614 -4.862 -3.339 1.00 25.00 O ATOM 0 H TYR A 640 12.821 -0.403 -3.169 1.00 25.00 H new ATOM 0 HA TYR A 640 15.231 -0.678 -1.593 1.00 25.00 H new ATOM 0 HB2 TYR A 640 13.986 -2.547 -2.735 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.394 -1.841 -4.286 1.00 25.00 H new ATOM 0 HD1 TYR A 640 15.953 -3.301 -1.210 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.442 -2.366 -5.340 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.068 -4.537 -1.237 1.00 25.00 H new ATOM 0 HE2 TYR A 640 18.565 -3.608 -5.368 1.00 25.00 H new ATOM 0 HH TYR A 640 19.964 -4.828 -4.254 1.00 25.00 H new ATOM 904 N GLU A 641 15.190 1.129 -4.298 1.00 25.00 N ATOM 905 CA GLU A 641 15.897 2.056 -5.155 1.00 25.00 C ATOM 906 C GLU A 641 16.071 3.435 -4.467 1.00 25.00 C ATOM 907 O GLU A 641 17.017 4.166 -4.776 1.00 25.00 O ATOM 908 CB GLU A 641 15.101 2.122 -6.482 1.00 25.00 C ATOM 909 CG GLU A 641 15.158 0.887 -7.341 1.00 25.00 C ATOM 910 CD GLU A 641 16.565 0.489 -7.759 1.00 25.00 C ATOM 911 OE1 GLU A 641 17.263 1.325 -8.371 1.00 25.00 O ATOM 912 OE2 GLU A 641 16.966 -0.660 -7.475 1.00 25.00 O ATOM 0 H GLU A 641 14.179 1.145 -4.436 1.00 25.00 H new ATOM 0 HA GLU A 641 16.915 1.723 -5.360 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.057 2.331 -6.248 1.00 25.00 H new ATOM 0 HB3 GLU A 641 15.472 2.965 -7.065 1.00 25.00 H new ATOM 0 HG2 GLU A 641 14.703 0.058 -6.799 1.00 25.00 H new ATOM 0 HG3 GLU A 641 14.557 1.051 -8.235 1.00 25.00 H new ATOM 919 N SER A 642 15.164 3.769 -3.534 1.00 25.00 N ATOM 920 CA SER A 642 15.184 5.074 -2.853 1.00 25.00 C ATOM 921 C SER A 642 15.900 5.013 -1.496 1.00 25.00 C ATOM 922 O SER A 642 16.726 5.879 -1.192 1.00 25.00 O ATOM 923 CB SER A 642 13.756 5.600 -2.666 1.00 25.00 C ATOM 924 OG SER A 642 13.073 5.684 -3.905 1.00 25.00 O ATOM 0 H SER A 642 14.408 3.153 -3.234 1.00 25.00 H new ATOM 0 HA SER A 642 15.745 5.758 -3.490 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.209 4.942 -1.990 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.787 6.584 -2.198 1.00 25.00 H new ATOM 0 HG SER A 642 12.797 4.787 -4.188 1.00 25.00 H new ATOM 930 N ALA A 643 15.580 3.990 -0.688 1.00 25.00 N ATOM 931 CA ALA A 643 16.166 3.829 0.649 1.00 25.00 C ATOM 932 C ALA A 643 17.512 3.093 0.598 1.00 25.00 C ATOM 933 O ALA A 643 17.762 2.302 -0.316 1.00 25.00 O ATOM 934 CB ALA A 643 15.196 3.083 1.549 1.00 25.00 C ATOM 0 H ALA A 643 14.915 3.259 -0.941 1.00 25.00 H new ATOM 0 HA ALA A 643 16.352 4.824 1.055 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.635 2.966 2.540 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.266 3.647 1.628 1.00 25.00 H new ATOM 0 HB3 ALA A 643 14.989 2.100 1.126 1.00 25.00 H new ATOM 940 N ASN A 644 18.368 3.368 1.594 1.00 25.00 N ATOM 941 CA ASN A 644 19.701 2.751 1.683 1.00 25.00 C ATOM 942 C ASN A 644 19.836 1.840 2.919 1.00 25.00 C ATOM 943 O ASN A 644 20.796 1.070 3.025 1.00 25.00 O ATOM 944 CB ASN A 644 20.803 3.833 1.693 1.00 25.00 C ATOM 945 CG ASN A 644 20.901 4.622 0.391 1.00 25.00 C ATOM 946 OD1 ASN A 644 20.694 4.081 -0.695 1.00 25.00 O ATOM 947 ND2 ASN A 644 21.208 5.911 0.504 1.00 25.00 N ATOM 0 H ASN A 644 18.159 4.017 2.353 1.00 25.00 H new ATOM 0 HA ASN A 644 19.825 2.126 0.799 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.613 4.525 2.513 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.764 3.358 1.893 1.00 25.00 H new ATOM 0 HD21 ASN A 644 21.280 6.493 -0.330 1.00 25.00 H new ATOM 0 HD22 ASN A 644 21.371 6.317 1.425 1.00 25.00 H new ATOM 954 N SER A 645 18.867 1.935 3.841 1.00 25.00 N ATOM 955 CA SER A 645 18.886 1.162 5.089 1.00 25.00 C ATOM 956 C SER A 645 17.529 0.492 5.327 1.00 25.00 C ATOM 957 O SER A 645 16.512 0.925 4.780 1.00 25.00 O ATOM 958 CB SER A 645 19.244 2.077 6.273 1.00 25.00 C ATOM 959 OG SER A 645 18.214 3.018 6.534 1.00 25.00 O ATOM 0 H SER A 645 18.055 2.545 3.743 1.00 25.00 H new ATOM 0 HA SER A 645 19.644 0.384 5.004 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.419 1.471 7.162 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.174 2.604 6.059 1.00 25.00 H new ATOM 0 HG SER A 645 18.471 3.583 7.292 1.00 25.00 H new ATOM 965 N ARG A 646 17.531 -0.566 6.156 1.00 25.00 N ATOM 966 CA ARG A 646 16.339 -1.398 6.394 1.00 25.00 C ATOM 967 C ARG A 646 15.286 -0.674 7.253 1.00 25.00 C ATOM 968 O ARG A 646 14.098 -1.000 7.180 1.00 25.00 O ATOM 969 CB ARG A 646 16.745 -2.726 7.058 1.00 25.00 C ATOM 970 CG ARG A 646 15.590 -3.715 7.233 1.00 25.00 C ATOM 971 CD ARG A 646 15.987 -4.917 8.080 1.00 25.00 C ATOM 972 NE ARG A 646 14.915 -5.920 8.171 1.00 25.00 N ATOM 973 CZ ARG A 646 13.882 -5.861 9.025 1.00 25.00 C ATOM 974 NH1 ARG A 646 13.750 -4.849 9.880 1.00 25.00 N ATOM 975 NH2 ARG A 646 12.972 -6.826 9.019 1.00 25.00 N ATOM 0 H ARG A 646 18.354 -0.867 6.677 1.00 25.00 H new ATOM 0 HA ARG A 646 15.883 -1.600 5.425 1.00 25.00 H new ATOM 0 HB2 ARG A 646 17.524 -3.196 6.459 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.179 -2.514 8.035 1.00 25.00 H new ATOM 0 HG2 ARG A 646 14.746 -3.207 7.699 1.00 25.00 H new ATOM 0 HG3 ARG A 646 15.255 -4.057 6.254 1.00 25.00 H new ATOM 0 HD2 ARG A 646 16.878 -5.379 7.654 1.00 25.00 H new ATOM 0 HD3 ARG A 646 16.251 -4.580 9.082 1.00 25.00 H new ATOM 0 HE ARG A 646 14.960 -6.719 7.538 1.00 25.00 H new ATOM 0 HH11 ARG A 646 14.442 -4.100 9.894 1.00 25.00 H new ATOM 0 HH12 ARG A 646 12.957 -4.823 10.521 1.00 25.00 H new ATOM 0 HH21 ARG A 646 13.060 -7.606 8.368 1.00 25.00 H new ATOM 0 HH22 ARG A 646 12.184 -6.788 9.665 1.00 25.00 H new ATOM 989 N ASP A 647 15.733 0.294 8.067 1.00 25.00 N ATOM 990 CA ASP A 647 14.828 1.090 8.911 1.00 25.00 C ATOM 991 C ASP A 647 14.166 2.220 8.112 1.00 25.00 C ATOM 992 O ASP A 647 13.081 2.687 8.471 1.00 25.00 O ATOM 993 CB ASP A 647 15.581 1.669 10.116 1.00 25.00 C ATOM 994 CG ASP A 647 16.077 0.598 11.071 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.301 -0.332 11.375 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.242 0.690 11.513 1.00 25.00 O ATOM 0 H ASP A 647 16.717 0.545 8.159 1.00 25.00 H new ATOM 0 HA ASP A 647 14.044 0.424 9.270 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.430 2.254 9.761 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.925 2.353 10.654 1.00 25.00 H new ATOM 1001 N GLU A 648 14.835 2.650 7.031 1.00 25.00 N ATOM 1002 CA GLU A 648 14.291 3.657 6.115 1.00 25.00 C ATOM 1003 C GLU A 648 13.411 2.977 5.054 1.00 25.00 C ATOM 1004 O GLU A 648 12.303 3.434 4.779 1.00 25.00 O ATOM 1005 CB GLU A 648 15.443 4.448 5.460 1.00 25.00 C ATOM 1006 CG GLU A 648 15.007 5.701 4.703 1.00 25.00 C ATOM 1007 CD GLU A 648 14.296 6.703 5.594 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.778 6.945 6.719 1.00 25.00 O ATOM 1009 OE2 GLU A 648 13.258 7.249 5.162 1.00 25.00 O ATOM 0 H GLU A 648 15.761 2.311 6.771 1.00 25.00 H new ATOM 0 HA GLU A 648 13.671 4.359 6.672 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.154 4.737 6.234 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.972 3.790 4.771 1.00 25.00 H new ATOM 0 HG2 GLU A 648 15.882 6.174 4.256 1.00 25.00 H new ATOM 0 HG3 GLU A 648 14.346 5.415 3.885 1.00 25.00 H new ATOM 1016 N TYR A 649 13.919 1.866 4.493 1.00 25.00 N ATOM 1017 CA TYR A 649 13.212 1.067 3.475 1.00 25.00 C ATOM 1018 C TYR A 649 11.815 0.631 3.960 1.00 25.00 C ATOM 1019 O TYR A 649 10.821 0.818 3.253 1.00 25.00 O ATOM 1020 CB TYR A 649 14.107 -0.145 3.105 1.00 25.00 C ATOM 1021 CG TYR A 649 13.474 -1.203 2.216 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.314 -1.006 0.852 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.047 -2.406 2.760 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.743 -1.981 0.056 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.474 -3.380 1.977 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.304 -3.158 0.626 1.00 25.00 C ATOM 1027 OH TYR A 649 11.739 -4.212 -0.064 1.00 25.00 O ATOM 0 H TYR A 649 14.838 1.494 4.734 1.00 25.00 H new ATOM 0 HA TYR A 649 13.038 1.673 2.586 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.001 0.230 2.607 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.433 -0.624 4.028 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.640 -0.078 0.406 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.167 -2.581 3.819 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.641 -1.822 -1.007 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.159 -4.314 2.417 1.00 25.00 H new ATOM 0 HH TYR A 649 11.513 -4.930 0.563 1.00 25.00 H new ATOM 1037 N TYR A 650 11.764 0.049 5.166 1.00 25.00 N ATOM 1038 CA TYR A 650 10.504 -0.348 5.805 1.00 25.00 C ATOM 1039 C TYR A 650 9.650 0.867 6.223 1.00 25.00 C ATOM 1040 O TYR A 650 8.458 0.720 6.508 1.00 25.00 O ATOM 1041 CB TYR A 650 10.802 -1.236 7.027 1.00 25.00 C ATOM 1042 CG TYR A 650 11.232 -2.652 6.673 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.381 -2.881 5.922 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.485 -3.752 7.077 1.00 25.00 C ATOM 1045 CE1 TYR A 650 12.774 -4.156 5.586 1.00 25.00 C ATOM 1046 CE2 TYR A 650 10.877 -5.039 6.747 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.021 -5.233 6.001 1.00 25.00 C ATOM 1048 OH TYR A 650 12.412 -6.510 5.669 1.00 25.00 O ATOM 0 H TYR A 650 12.592 -0.159 5.724 1.00 25.00 H new ATOM 0 HA TYR A 650 9.923 -0.908 5.072 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.586 -0.767 7.621 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.912 -1.284 7.654 1.00 25.00 H new ATOM 0 HD1 TYR A 650 12.976 -2.041 5.596 1.00 25.00 H new ATOM 0 HD2 TYR A 650 9.586 -3.601 7.656 1.00 25.00 H new ATOM 0 HE1 TYR A 650 13.668 -4.312 5.000 1.00 25.00 H new ATOM 0 HE2 TYR A 650 10.290 -5.886 7.072 1.00 25.00 H new ATOM 0 HH TYR A 650 12.423 -6.606 4.694 1.00 25.00 H new ATOM 1058 N HIS A 651 10.270 2.058 6.248 1.00 25.00 N ATOM 1059 CA HIS A 651 9.592 3.288 6.675 1.00 25.00 C ATOM 1060 C HIS A 651 8.758 3.911 5.546 1.00 25.00 C ATOM 1061 O HIS A 651 7.645 4.368 5.803 1.00 25.00 O ATOM 1062 CB HIS A 651 10.613 4.299 7.205 1.00 25.00 C ATOM 1063 CG HIS A 651 10.041 5.656 7.517 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.162 5.873 8.558 1.00 25.00 N ATOM 1065 CD2 HIS A 651 10.235 6.870 6.938 1.00 25.00 C ATOM 1066 CE1 HIS A 651 8.841 7.155 8.605 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.479 7.778 7.634 1.00 25.00 N ATOM 0 H HIS A 651 11.244 2.193 5.976 1.00 25.00 H new ATOM 0 HA HIS A 651 8.903 3.020 7.476 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.071 3.895 8.108 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.408 4.414 6.468 1.00 25.00 H new ATOM 0 HD2 HIS A 651 10.867 7.081 6.088 1.00 25.00 H new ATOM 0 HE1 HIS A 651 8.171 7.613 9.317 1.00 25.00 H new ATOM 0 HE2 HIS A 651 9.420 8.776 7.433 1.00 25.00 H new ATOM 1076 N LEU A 652 9.278 3.908 4.297 1.00 25.00 N ATOM 1077 CA LEU A 652 8.548 4.456 3.140 1.00 25.00 C ATOM 1078 C LEU A 652 7.203 3.745 2.900 1.00 25.00 C ATOM 1079 O LEU A 652 6.273 4.346 2.353 1.00 25.00 O ATOM 1080 CB LEU A 652 9.398 4.354 1.857 1.00 25.00 C ATOM 1081 CG LEU A 652 10.673 5.230 1.710 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.535 4.827 0.518 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.334 6.712 1.662 1.00 25.00 C ATOM 0 H LEU A 652 10.198 3.532 4.069 1.00 25.00 H new ATOM 0 HA LEU A 652 8.347 5.501 3.375 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.703 3.313 1.750 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.746 4.583 1.014 1.00 25.00 H new ATOM 0 HG LEU A 652 11.268 5.048 2.605 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.411 5.474 0.467 1.00 25.00 H new ATOM 0 HD12 LEU A 652 11.855 3.792 0.634 1.00 25.00 H new ATOM 0 HD13 LEU A 652 10.956 4.927 -0.400 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.251 7.292 1.559 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.683 6.909 0.811 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.825 6.999 2.582 1.00 25.00 H new ATOM 1095 N LEU A 653 7.110 2.470 3.315 1.00 25.00 N ATOM 1096 CA LEU A 653 5.880 1.681 3.165 1.00 25.00 C ATOM 1097 C LEU A 653 4.941 1.900 4.352 1.00 25.00 C ATOM 1098 O LEU A 653 3.719 1.846 4.198 1.00 25.00 O ATOM 1099 CB LEU A 653 6.203 0.182 3.021 1.00 25.00 C ATOM 1100 CG LEU A 653 4.994 -0.772 2.959 1.00 25.00 C ATOM 1101 CD1 LEU A 653 4.190 -0.523 1.703 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.420 -2.235 2.981 1.00 25.00 C ATOM 0 H LEU A 653 7.877 1.964 3.758 1.00 25.00 H new ATOM 0 HA LEU A 653 5.379 2.020 2.258 1.00 25.00 H new ATOM 0 HB2 LEU A 653 6.795 0.044 2.116 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.831 -0.115 3.861 1.00 25.00 H new ATOM 0 HG LEU A 653 4.388 -0.571 3.843 1.00 25.00 H new ATOM 0 HD11 LEU A 653 3.340 -1.205 1.674 1.00 25.00 H new ATOM 0 HD12 LEU A 653 3.830 0.506 1.699 1.00 25.00 H new ATOM 0 HD13 LEU A 653 4.819 -0.691 0.829 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.537 -2.872 2.936 1.00 25.00 H new ATOM 0 HD22 LEU A 653 6.060 -2.441 2.123 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.969 -2.440 3.900 1.00 25.00 H new ATOM 1114 N ALA A 654 5.527 2.153 5.535 1.00 25.00 N ATOM 1115 CA ALA A 654 4.761 2.493 6.740 1.00 25.00 C ATOM 1116 C ALA A 654 4.203 3.920 6.663 1.00 25.00 C ATOM 1117 O ALA A 654 3.196 4.234 7.307 1.00 25.00 O ATOM 1118 CB ALA A 654 5.629 2.335 7.979 1.00 25.00 C ATOM 0 H ALA A 654 6.536 2.127 5.679 1.00 25.00 H new ATOM 0 HA ALA A 654 3.918 1.805 6.805 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.048 2.590 8.865 1.00 25.00 H new ATOM 0 HB2 ALA A 654 5.971 1.303 8.054 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.491 2.998 7.906 1.00 25.00 H new ATOM 1124 N GLU A 655 4.870 4.777 5.866 1.00 25.00 N ATOM 1125 CA GLU A 655 4.424 6.166 5.651 1.00 25.00 C ATOM 1126 C GLU A 655 3.190 6.240 4.754 1.00 25.00 C ATOM 1127 O GLU A 655 2.291 7.043 5.014 1.00 25.00 O ATOM 1128 CB GLU A 655 5.544 7.034 5.054 1.00 25.00 C ATOM 1129 CG GLU A 655 5.171 8.495 4.867 1.00 25.00 C ATOM 1130 CD GLU A 655 6.319 9.330 4.330 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.423 8.773 4.150 1.00 25.00 O ATOM 1132 OE2 GLU A 655 6.116 10.539 4.095 1.00 25.00 O ATOM 0 H GLU A 655 5.721 4.531 5.360 1.00 25.00 H new ATOM 0 HA GLU A 655 4.160 6.556 6.634 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.418 6.975 5.702 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.834 6.619 4.089 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.326 8.565 4.183 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.843 8.907 5.822 1.00 25.00 H new ATOM 1139 N LYS A 656 3.140 5.399 3.704 1.00 25.00 N ATOM 1140 CA LYS A 656 1.940 5.296 2.854 1.00 25.00 C ATOM 1141 C LYS A 656 0.797 4.672 3.654 1.00 25.00 C ATOM 1142 O LYS A 656 -0.373 4.962 3.418 1.00 25.00 O ATOM 1143 CB LYS A 656 2.185 4.438 1.595 1.00 25.00 C ATOM 1144 CG LYS A 656 3.144 5.026 0.552 1.00 25.00 C ATOM 1145 CD LYS A 656 3.229 4.174 -0.712 1.00 25.00 C ATOM 1146 CE LYS A 656 3.890 4.931 -1.852 1.00 25.00 C ATOM 1147 NZ LYS A 656 5.345 5.138 -1.612 1.00 25.00 N ATOM 0 H LYS A 656 3.908 4.787 3.426 1.00 25.00 H new ATOM 0 HA LYS A 656 1.686 6.306 2.533 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.573 3.470 1.910 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.225 4.255 1.113 1.00 25.00 H new ATOM 0 HG2 LYS A 656 2.815 6.031 0.287 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.138 5.121 0.990 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.793 3.265 -0.502 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.228 3.865 -1.012 1.00 25.00 H new ATOM 0 HE2 LYS A 656 3.750 4.380 -2.782 1.00 25.00 H new ATOM 0 HE3 LYS A 656 3.402 5.897 -1.977 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 5.826 5.306 -2.519 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 5.481 5.961 -0.991 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 5.746 4.292 -1.159 1.00 25.00 H new ATOM 1161 N ILE A 657 1.173 3.854 4.648 1.00 25.00 N ATOM 1162 CA ILE A 657 0.221 3.123 5.488 1.00 25.00 C ATOM 1163 C ILE A 657 -0.504 4.086 6.448 1.00 25.00 C ATOM 1164 O ILE A 657 -1.660 3.854 6.811 1.00 25.00 O ATOM 1165 CB ILE A 657 0.963 1.960 6.248 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.095 0.740 5.300 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.286 1.573 7.578 1.00 25.00 C ATOM 1168 CD1 ILE A 657 2.051 -0.361 5.760 1.00 25.00 C ATOM 0 H ILE A 657 2.149 3.682 4.890 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.546 2.669 4.861 1.00 25.00 H new ATOM 0 HB ILE A 657 1.954 2.320 6.526 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.106 0.302 5.163 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.424 1.096 4.324 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.847 0.767 8.051 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.265 2.438 8.241 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.734 1.240 7.384 1.00 25.00 H new ATOM 0 HD11 ILE A 657 2.065 -1.163 5.022 1.00 25.00 H new ATOM 0 HD12 ILE A 657 3.055 0.050 5.868 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.716 -0.756 6.719 1.00 25.00 H new ATOM 1180 N TYR A 658 0.185 5.160 6.839 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.373 6.151 7.753 1.00 25.00 C ATOM 1182 C TYR A 658 -1.217 7.192 6.995 1.00 25.00 C ATOM 1183 O TYR A 658 -2.209 7.696 7.525 1.00 25.00 O ATOM 1184 CB TYR A 658 0.762 6.839 8.528 1.00 25.00 C ATOM 1185 CG TYR A 658 1.432 5.964 9.577 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.816 5.827 9.612 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.683 5.275 10.527 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.433 5.032 10.562 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.293 4.478 11.478 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.667 4.360 11.490 1.00 25.00 C ATOM 1191 OH TYR A 658 3.276 3.568 12.436 1.00 25.00 O ATOM 0 H TYR A 658 1.136 5.364 6.533 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.030 5.641 8.458 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.517 7.176 7.818 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.364 7.729 9.016 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.419 6.350 8.885 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.393 5.365 10.521 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.509 4.939 10.576 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.697 3.951 12.208 1.00 25.00 H new ATOM 0 HH TYR A 658 2.594 3.166 13.014 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.810 7.493 5.749 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.486 8.504 4.912 1.00 25.00 C ATOM 1203 C LYS A 659 -2.790 7.975 4.308 1.00 25.00 C ATOM 1204 O LYS A 659 -3.736 8.740 4.098 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.565 8.995 3.780 1.00 25.00 C ATOM 1206 CG LYS A 659 0.651 9.826 4.229 1.00 25.00 C ATOM 1207 CD LYS A 659 1.536 10.318 3.071 1.00 25.00 C ATOM 1208 CE LYS A 659 2.729 11.138 3.542 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.545 11.662 2.409 1.00 25.00 N ATOM 0 H LYS A 659 -0.012 7.048 5.296 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.726 9.338 5.572 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.206 8.128 3.225 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -1.157 9.594 3.088 1.00 25.00 H new ATOM 0 HG2 LYS A 659 0.299 10.688 4.795 1.00 25.00 H new ATOM 0 HG3 LYS A 659 1.258 9.226 4.907 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.894 9.459 2.504 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.934 10.920 2.391 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.376 11.973 4.148 1.00 25.00 H new ATOM 0 HE3 LYS A 659 3.358 10.522 4.184 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.552 11.483 2.595 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 3.265 11.184 1.529 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 3.388 12.685 2.312 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.829 6.664 4.033 1.00 25.00 N ATOM 1224 CA ILE A 660 -4.036 6.001 3.515 1.00 25.00 C ATOM 1225 C ILE A 660 -5.036 5.753 4.667 1.00 25.00 C ATOM 1226 O ILE A 660 -6.240 5.614 4.446 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.677 4.664 2.788 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.874 4.956 1.503 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.945 3.869 2.454 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.204 3.739 0.881 1.00 25.00 C ATOM 0 H ILE A 660 -2.034 6.038 4.161 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.504 6.657 2.781 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.063 4.062 3.458 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.543 5.402 0.767 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.109 5.699 1.730 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.671 2.943 1.949 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.481 3.636 3.374 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.585 4.463 1.802 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.663 4.040 -0.016 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.506 3.303 1.596 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.962 3.001 0.618 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.505 5.690 5.887 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.318 5.595 7.102 1.00 25.00 C ATOM 1244 C GLN A 661 -5.949 6.948 7.480 1.00 25.00 C ATOM 1245 O GLN A 661 -6.931 6.987 8.224 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.467 5.058 8.259 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.180 3.552 8.183 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.188 3.019 9.225 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.723 3.773 10.079 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -2.872 1.724 9.183 1.00 25.00 N ATOM 0 H GLN A 661 -3.500 5.703 6.063 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.136 4.902 6.903 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.519 5.596 8.279 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -4.975 5.273 9.199 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.121 3.014 8.293 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.796 3.322 7.189 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.274 1.124 8.463 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.228 1.334 9.871 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.380 8.049 6.952 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.910 9.410 7.176 1.00 25.00 C ATOM 1261 C LYS A 662 -7.167 9.680 6.337 1.00 25.00 C ATOM 1262 O LYS A 662 -8.112 10.316 6.811 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.854 10.479 6.838 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.275 11.949 7.032 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.252 12.974 6.526 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.646 14.395 6.862 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.760 14.891 6.006 1.00 25.00 N ATOM 0 H LYS A 662 -4.547 8.022 6.363 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.170 9.469 8.233 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.972 10.293 7.451 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.553 10.345 5.799 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.221 12.114 6.517 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.454 12.126 8.093 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -3.277 12.757 6.963 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -4.146 12.875 5.446 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -4.944 14.449 7.909 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.781 15.047 6.743 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.995 15.868 6.273 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -5.469 14.865 5.008 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -6.595 14.286 6.138 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.157 9.193 5.089 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.243 9.413 4.127 1.00 25.00 C ATOM 1283 C GLU A 663 -9.531 8.664 4.510 1.00 25.00 C ATOM 1284 O GLU A 663 -10.616 9.243 4.484 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.759 9.023 2.718 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.791 10.005 2.067 1.00 25.00 C ATOM 1287 CD GLU A 663 -7.336 11.415 1.984 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -8.447 11.595 1.441 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -6.660 12.339 2.476 1.00 25.00 O ATOM 0 H GLU A 663 -6.390 8.632 4.717 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.501 10.472 4.139 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.277 8.047 2.774 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.629 8.912 2.071 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.859 10.015 2.633 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.550 9.656 1.063 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.392 7.376 4.857 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.517 6.549 5.354 1.00 25.00 C ATOM 1298 C LEU A 664 -11.159 7.113 6.638 1.00 25.00 C ATOM 1299 O LEU A 664 -12.300 6.765 6.965 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.059 5.096 5.630 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.642 4.210 4.423 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.002 2.900 4.875 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.813 3.929 3.492 1.00 25.00 C ATOM 0 H LEU A 664 -8.505 6.875 4.804 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.266 6.566 4.562 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.214 5.139 6.317 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.869 4.586 6.152 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.897 4.780 3.867 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.725 2.310 4.001 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.111 3.115 5.465 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.712 2.338 5.482 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.477 3.307 2.662 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.598 3.409 4.041 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.204 4.870 3.105 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.426 7.983 7.356 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.896 8.569 8.627 1.00 25.00 C ATOM 1317 C GLU A 665 -12.104 9.508 8.454 1.00 25.00 C ATOM 1318 O GLU A 665 -12.793 9.811 9.434 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.757 9.297 9.345 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.904 8.388 10.219 1.00 25.00 C ATOM 1321 CD GLU A 665 -7.686 9.092 10.784 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -7.420 10.242 10.375 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -6.996 8.494 11.637 1.00 25.00 O ATOM 0 H GLU A 665 -9.498 8.299 7.075 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.234 7.733 9.239 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -9.119 9.776 8.602 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -10.177 10.090 9.963 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.511 8.006 11.040 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.582 7.527 9.634 1.00 25.00 H new ATOM 1694 N SER B 536 -10.227 9.130 -4.511 1.00 25.00 N ATOM 1695 CA SER B 536 -11.325 8.689 -5.370 1.00 25.00 C ATOM 1696 C SER B 536 -11.375 7.158 -5.492 1.00 25.00 C ATOM 1697 O SER B 536 -12.395 6.551 -5.169 1.00 25.00 O ATOM 1698 CB SER B 536 -11.208 9.343 -6.747 1.00 25.00 C ATOM 1699 OG SER B 536 -12.213 8.876 -7.634 1.00 25.00 O ATOM 0 HA SER B 536 -12.261 9.003 -4.908 1.00 25.00 H new ATOM 0 HB2 SER B 536 -11.287 10.425 -6.644 1.00 25.00 H new ATOM 0 HB3 SER B 536 -10.225 9.133 -7.168 1.00 25.00 H new ATOM 0 HG SER B 536 -12.111 9.315 -8.504 1.00 25.00 H new ATOM 1705 N ILE B 537 -10.261 6.549 -5.934 1.00 25.00 N ATOM 1706 CA ILE B 537 -10.198 5.114 -6.249 1.00 25.00 C ATOM 1707 C ILE B 537 -10.177 4.218 -4.997 1.00 25.00 C ATOM 1708 O ILE B 537 -10.781 3.143 -5.013 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.983 4.830 -7.218 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -9.228 5.468 -8.602 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.687 3.334 -7.410 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -8.031 5.490 -9.534 1.00 25.00 C ATOM 0 H ILE B 537 -9.379 7.040 -6.082 1.00 25.00 H new ATOM 0 HA ILE B 537 -11.120 4.847 -6.765 1.00 25.00 H new ATOM 0 HB ILE B 537 -8.115 5.279 -6.736 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -10.038 4.929 -9.093 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -9.570 6.492 -8.455 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.841 3.214 -8.087 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.447 2.884 -6.447 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.563 2.841 -7.833 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -8.313 5.959 -10.477 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -7.222 6.057 -9.074 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -7.697 4.469 -9.722 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.495 4.644 -3.928 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.422 3.828 -2.706 1.00 25.00 C ATOM 1726 C ALA B 538 -10.671 3.983 -1.837 1.00 25.00 C ATOM 1727 O ALA B 538 -10.881 3.228 -0.881 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.154 4.130 -1.918 1.00 25.00 C ATOM 0 H ALA B 538 -8.994 5.531 -3.881 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.381 2.784 -3.017 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.128 3.512 -1.020 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.282 3.912 -2.534 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.144 5.182 -1.634 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.484 4.967 -2.194 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.802 5.173 -1.590 1.00 25.00 C ATOM 1736 C ASP B 539 -13.895 4.696 -2.565 1.00 25.00 C ATOM 1737 O ASP B 539 -15.081 4.646 -2.221 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.982 6.658 -1.209 1.00 25.00 C ATOM 1739 CG ASP B 539 -12.186 7.075 0.018 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.732 6.183 0.764 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -12.014 8.295 0.229 1.00 25.00 O ATOM 0 H ASP B 539 -11.251 5.651 -2.914 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.887 4.587 -0.675 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.683 7.279 -2.053 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -14.039 6.852 -1.029 1.00 25.00 H new ATOM 1746 N MET B 540 -13.459 4.335 -3.779 1.00 25.00 N ATOM 1747 CA MET B 540 -14.325 3.761 -4.810 1.00 25.00 C ATOM 1748 C MET B 540 -14.216 2.231 -4.797 1.00 25.00 C ATOM 1749 O MET B 540 -15.176 1.524 -5.118 1.00 25.00 O ATOM 1750 CB MET B 540 -13.914 4.311 -6.177 1.00 25.00 C ATOM 1751 CG MET B 540 -14.774 3.810 -7.339 1.00 25.00 C ATOM 1752 SD MET B 540 -14.326 4.544 -8.926 1.00 25.00 S ATOM 1753 CE MET B 540 -15.165 6.123 -8.813 1.00 25.00 C ATOM 0 H MET B 540 -12.487 4.435 -4.073 1.00 25.00 H new ATOM 0 HA MET B 540 -15.361 4.034 -4.609 1.00 25.00 H new ATOM 0 HB2 MET B 540 -13.962 5.400 -6.147 1.00 25.00 H new ATOM 0 HB3 MET B 540 -12.875 4.042 -6.367 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.682 2.726 -7.409 1.00 25.00 H new ATOM 0 HG3 MET B 540 -15.821 4.028 -7.128 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.984 6.697 -9.722 1.00 25.00 H new ATOM 0 HE2 MET B 540 -16.236 5.958 -8.695 1.00 25.00 H new ATOM 0 HE3 MET B 540 -14.786 6.676 -7.954 1.00 25.00 H new ATOM 1763 N ASP B 541 -13.029 1.748 -4.419 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.733 0.314 -4.372 1.00 25.00 C ATOM 1765 C ASP B 541 -13.081 -0.297 -3.001 1.00 25.00 C ATOM 1766 O ASP B 541 -13.239 -1.518 -2.895 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.255 0.081 -4.705 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.934 0.287 -6.177 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.861 0.172 -7.007 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.762 0.570 -6.496 1.00 25.00 O ATOM 0 H ASP B 541 -12.247 2.340 -4.137 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.355 -0.185 -5.115 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.644 0.758 -4.108 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.980 -0.934 -4.418 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.204 0.550 -1.959 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.548 0.081 -0.604 1.00 25.00 C ATOM 1777 C PHE B 542 -15.016 -0.378 -0.533 1.00 25.00 C ATOM 1778 O PHE B 542 -15.368 -1.225 0.292 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.286 1.202 0.418 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.495 0.816 1.864 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.611 -0.038 2.511 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.593 1.294 2.565 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.816 -0.400 3.829 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.801 0.934 3.883 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.913 0.087 4.515 1.00 25.00 C ATOM 0 H PHE B 542 -13.070 1.559 -2.031 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.918 -0.776 -0.365 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.260 1.550 0.296 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.938 2.044 0.185 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.754 -0.423 1.978 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.293 1.955 2.075 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -12.120 -1.062 4.322 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.658 1.315 4.418 1.00 25.00 H new ATOM 0 HZ PHE B 542 -14.075 -0.195 5.545 1.00 25.00 H new ATOM 1795 N SER B 543 -15.858 0.193 -1.411 1.00 25.00 N ATOM 1796 CA SER B 543 -17.274 -0.185 -1.518 1.00 25.00 C ATOM 1797 C SER B 543 -17.450 -1.453 -2.369 1.00 25.00 C ATOM 1798 O SER B 543 -18.428 -2.187 -2.201 1.00 25.00 O ATOM 1799 CB SER B 543 -18.076 0.973 -2.121 1.00 25.00 C ATOM 1800 OG SER B 543 -17.682 1.238 -3.458 1.00 25.00 O ATOM 0 H SER B 543 -15.576 0.926 -2.063 1.00 25.00 H new ATOM 0 HA SER B 543 -17.647 -0.400 -0.517 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.139 0.733 -2.095 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.936 1.868 -1.515 1.00 25.00 H new ATOM 0 HG SER B 543 -18.213 1.981 -3.814 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.489 -1.697 -3.276 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.487 -2.893 -4.130 1.00 25.00 C ATOM 1808 C ALA B 544 -15.929 -4.111 -3.383 1.00 25.00 C ATOM 1809 O ALA B 544 -16.285 -5.254 -3.688 1.00 25.00 O ATOM 1810 CB ALA B 544 -15.685 -2.634 -5.399 1.00 25.00 C ATOM 0 H ALA B 544 -15.697 -1.074 -3.436 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.519 -3.113 -4.403 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -15.692 -3.528 -6.022 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.131 -1.805 -5.948 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.658 -2.383 -5.135 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.051 -3.847 -2.406 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.522 -4.874 -1.509 1.00 25.00 C ATOM 1818 C LEU B 545 -15.468 -5.114 -0.325 1.00 25.00 C ATOM 1819 O LEU B 545 -15.383 -6.143 0.352 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.143 -4.447 -1.001 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.064 -4.237 -2.075 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -10.796 -3.677 -1.458 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -11.743 -5.544 -2.795 1.00 25.00 C ATOM 0 H LEU B 545 -14.689 -2.912 -2.218 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.435 -5.808 -2.064 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.256 -3.519 -0.441 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -12.787 -5.201 -0.299 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.457 -3.524 -2.800 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.045 -3.536 -2.235 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.014 -2.719 -0.985 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.417 -4.373 -0.710 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -10.977 -5.365 -3.549 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.379 -6.276 -2.074 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.644 -5.925 -3.276 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.370 -4.145 -0.095 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.393 -4.235 0.952 1.00 25.00 C ATOM 1837 C LEU B 546 -18.562 -5.124 0.495 1.00 25.00 C ATOM 1838 O LEU B 546 -19.226 -5.765 1.315 1.00 25.00 O ATOM 1839 CB LEU B 546 -17.883 -2.813 1.313 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.250 -2.138 2.540 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -17.897 -0.791 2.820 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.359 -3.042 3.758 1.00 25.00 C ATOM 0 H LEU B 546 -16.408 -3.278 -0.632 1.00 25.00 H new ATOM 0 HA LEU B 546 -16.960 -4.695 1.840 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -17.714 -2.169 0.450 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -18.960 -2.858 1.471 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.196 -1.967 2.323 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.429 -0.337 3.693 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -17.766 -0.138 1.957 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -18.961 -0.931 3.010 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.906 -2.549 4.618 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.409 -3.245 3.967 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.840 -3.980 3.562 1.00 25.00 H new ATOM 1854 N SER B 547 -18.793 -5.143 -0.824 1.00 25.00 N ATOM 1855 CA SER B 547 -19.811 -6.001 -1.447 1.00 25.00 C ATOM 1856 C SER B 547 -19.352 -7.467 -1.532 1.00 25.00 C ATOM 1857 O SER B 547 -20.168 -8.366 -1.750 1.00 25.00 O ATOM 1858 CB SER B 547 -20.167 -5.472 -2.844 1.00 25.00 C ATOM 1859 OG SER B 547 -19.070 -5.583 -3.737 1.00 25.00 O ATOM 0 H SER B 547 -18.280 -4.565 -1.490 1.00 25.00 H new ATOM 0 HA SER B 547 -20.698 -5.972 -0.814 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.017 -6.028 -3.239 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.475 -4.429 -2.772 1.00 25.00 H new ATOM 0 HG SER B 547 -18.238 -5.378 -3.261 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.036 -7.692 -1.354 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.440 -9.041 -1.422 1.00 25.00 C ATOM 1867 C GLN B 548 -17.776 -9.894 -0.190 1.00 25.00 C ATOM 1868 O GLN B 548 -17.546 -11.108 -0.184 1.00 25.00 O ATOM 1869 CB GLN B 548 -15.914 -8.951 -1.586 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.441 -8.391 -2.929 1.00 25.00 C ATOM 1871 CD GLN B 548 -13.928 -8.261 -3.037 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -13.226 -8.175 -2.030 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -13.418 -8.250 -4.266 1.00 25.00 N ATOM 0 H GLN B 548 -17.361 -6.952 -1.161 1.00 25.00 H new ATOM 0 HA GLN B 548 -17.875 -9.531 -2.293 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -15.514 -8.326 -0.787 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.490 -9.947 -1.455 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -15.800 -9.038 -3.729 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.893 -7.412 -3.084 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -14.035 -8.324 -5.075 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -12.410 -8.168 -4.399 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.327 -9.246 0.838 1.00 25.00 N ATOM 1883 CA ILE B 549 -18.665 -9.911 2.105 1.00 25.00 C ATOM 1884 C ILE B 549 -20.178 -10.184 2.188 1.00 25.00 C ATOM 1885 O ILE B 549 -20.600 -11.177 2.790 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.204 -9.062 3.345 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -16.650 -8.923 3.420 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -18.755 -9.631 4.663 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.111 -7.910 4.431 1.00 25.00 C ATOM 0 H ILE B 549 -18.552 -8.251 0.820 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.130 -10.860 2.127 1.00 25.00 H new ATOM 0 HB ILE B 549 -18.621 -8.065 3.204 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.230 -9.900 3.657 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.282 -8.649 2.431 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.414 -9.016 5.496 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -19.845 -9.629 4.633 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.398 -10.652 4.796 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.022 -7.902 4.392 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.490 -6.917 4.189 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.436 -8.188 5.433 1.00 25.00 H new ATOM 1901 N SER B 550 -20.981 -9.299 1.579 1.00 25.00 N ATOM 1902 CA SER B 550 -22.443 -9.421 1.602 1.00 25.00 C ATOM 1903 C SER B 550 -22.968 -10.158 0.365 1.00 25.00 C ATOM 1904 O SER B 550 -23.906 -10.956 0.467 1.00 25.00 O ATOM 1905 CB SER B 550 -23.089 -8.035 1.700 1.00 25.00 C ATOM 1906 OG SER B 550 -22.701 -7.210 0.614 1.00 25.00 O ATOM 0 H SER B 550 -20.639 -8.488 1.063 1.00 25.00 H new ATOM 0 HA SER B 550 -22.712 -10.008 2.480 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.174 -8.137 1.713 1.00 25.00 H new ATOM 0 HB3 SER B 550 -22.802 -7.563 2.639 1.00 25.00 H new ATOM 0 HG SER B 550 -23.129 -6.333 0.701 1.00 25.00 H new ATOM 1912 N SER B 551 -22.357 -9.885 -0.798 1.00 25.00 N ATOM 1913 CA SER B 551 -22.752 -10.518 -2.058 1.00 25.00 C ATOM 1914 C SER B 551 -21.603 -11.363 -2.622 1.00 25.00 C ATOM 1915 O SER B 551 -21.658 -12.601 -2.472 1.00 25.00 O ATOM 1916 CB SER B 551 -23.201 -9.452 -3.072 1.00 25.00 C ATOM 1917 OG SER B 551 -22.135 -8.578 -3.411 1.00 25.00 O ATOM 1918 OXT SER B 551 -20.652 -10.781 -3.193 1.00 25.00 O ATOM 0 H SER B 551 -21.584 -9.226 -0.888 1.00 25.00 H new ATOM 0 HA SER B 551 -23.594 -11.183 -1.865 1.00 25.00 H new ATOM 0 HB2 SER B 551 -23.575 -9.939 -3.973 1.00 25.00 H new ATOM 0 HB3 SER B 551 -24.027 -8.876 -2.655 1.00 25.00 H new ATOM 0 HG SER B 551 -21.291 -8.947 -3.077 1.00 25.00 H new