USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 601 SER OG : rot -36:sc= 1.03 USER MOD Set 1.2: A 602 HIS : no HD1:sc=-0.00593 X(o=1,f=1) USER MOD Single : A 592 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.0161 USER MOD Single : A 597 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 605 HIS : no HD1:sc=-0.00418 X(o=-0.0042,f=-0.0042) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 169:sc=-0.00357 (180deg=-0.0223) USER MOD Single : A 627 ASN : amide:sc=-0.00513 K(o=-0.0051,f=-1.1) 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+ -175:sc= 0.143 (180deg=0.111) USER MOD Single : A 639 MET CE :methyl 152:sc= -0.232 (180deg=-1.66) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= -0.223 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot -59:sc= -0.219 USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc=-0.000831 K(o=-0.00083,f=-0.86) USER MOD Single : A 662 LYS NZ :NH3+ 164:sc= -0.0315 (180deg=-0.249) USER MOD Single : B 536 SER OG : rot -32:sc= 0.018 USER MOD Single : B 540 MET CE :methyl -168:sc= 0 (180deg=-0.154) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -30:sc= 0.6 USER MOD Single : B 548 GLN : amide:sc= 0.354 X(o=0.35,f=-0.11) USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 551 SER OG : rot -10:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.148 -5.744 3.797 1.00 25.00 N ATOM 73 CA GLY A 590 23.567 -6.380 4.987 1.00 25.00 C ATOM 74 C GLY A 590 22.063 -6.631 4.890 1.00 25.00 C ATOM 75 O GLY A 590 21.586 -7.702 5.282 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.072 -7.330 5.161 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.764 -5.750 5.855 1.00 25.00 H new ATOM 79 N TRP A 591 21.326 -5.648 4.352 1.00 25.00 N ATOM 80 CA TRP A 591 19.860 -5.731 4.213 1.00 25.00 C ATOM 81 C TRP A 591 19.423 -6.791 3.189 1.00 25.00 C ATOM 82 O TRP A 591 18.379 -7.421 3.355 1.00 25.00 O ATOM 83 CB TRP A 591 19.266 -4.345 3.859 1.00 25.00 C ATOM 84 CG TRP A 591 19.428 -3.884 2.420 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.495 -3.227 1.869 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.464 -4.023 1.362 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.267 -2.975 0.538 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.025 -3.449 0.203 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.182 -4.586 1.278 1.00 25.00 C ATOM 90 CZ2 TRP A 591 18.352 -3.420 -1.016 1.00 25.00 C ATOM 91 CZ3 TRP A 591 16.516 -4.553 0.066 1.00 25.00 C ATOM 92 CH2 TRP A 591 17.103 -3.974 -1.065 1.00 25.00 C ATOM 0 H TRP A 591 21.724 -4.777 4.002 1.00 25.00 H new ATOM 0 HA TRP A 591 19.466 -6.047 5.179 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.202 -4.360 4.094 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.726 -3.601 4.509 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.390 -2.946 2.405 1.00 25.00 H new ATOM 0 HE1 TRP A 591 20.916 -2.511 -0.097 1.00 25.00 H new ATOM 0 HE3 TRP A 591 16.723 -5.038 2.145 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 18.801 -2.975 -1.892 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 15.527 -4.981 -0.009 1.00 25.00 H new ATOM 0 HH2 TRP A 591 16.557 -3.965 -1.997 1.00 25.00 H new ATOM 103 N HIS A 592 20.237 -6.988 2.147 1.00 25.00 N ATOM 104 CA HIS A 592 19.963 -7.999 1.114 1.00 25.00 C ATOM 105 C HIS A 592 20.216 -9.430 1.638 1.00 25.00 C ATOM 106 O HIS A 592 19.716 -10.402 1.062 1.00 25.00 O ATOM 107 CB HIS A 592 20.824 -7.715 -0.132 1.00 25.00 C ATOM 108 CG HIS A 592 20.386 -8.437 -1.378 1.00 25.00 C ATOM 109 ND1 HIS A 592 19.564 -7.866 -2.329 1.00 25.00 N ATOM 110 CD2 HIS A 592 20.652 -9.691 -1.823 1.00 25.00 C ATOM 111 CE1 HIS A 592 19.346 -8.734 -3.301 1.00 25.00 C ATOM 112 NE2 HIS A 592 19.996 -9.849 -3.019 1.00 25.00 N ATOM 0 H HIS A 592 21.096 -6.459 1.994 1.00 25.00 H new ATOM 0 HA HIS A 592 18.909 -7.935 0.844 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.813 -6.643 -0.327 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.856 -7.989 0.086 1.00 25.00 H new ATOM 0 HD2 HIS A 592 21.266 -10.429 -1.328 1.00 25.00 H new ATOM 0 HE1 HIS A 592 18.739 -8.561 -4.178 1.00 25.00 H new ATOM 0 HE2 HIS A 592 20.009 -10.690 -3.596 1.00 25.00 H new ATOM 121 N GLU A 593 20.986 -9.544 2.733 1.00 25.00 N ATOM 122 CA GLU A 593 21.322 -10.820 3.341 1.00 25.00 C ATOM 123 C GLU A 593 20.151 -11.427 4.130 1.00 25.00 C ATOM 124 O GLU A 593 20.048 -12.653 4.239 1.00 25.00 O ATOM 125 CB GLU A 593 22.524 -10.618 4.258 1.00 25.00 C ATOM 126 CG GLU A 593 23.857 -10.545 3.528 1.00 25.00 C ATOM 127 CD GLU A 593 25.003 -10.132 4.434 1.00 25.00 C ATOM 128 OE1 GLU A 593 24.749 -9.851 5.624 1.00 25.00 O ATOM 129 OE2 GLU A 593 26.155 -10.087 3.952 1.00 25.00 O ATOM 0 H GLU A 593 21.390 -8.742 3.216 1.00 25.00 H new ATOM 0 HA GLU A 593 21.557 -11.525 2.544 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.383 -9.699 4.827 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.560 -11.436 4.977 1.00 25.00 H new ATOM 0 HG2 GLU A 593 24.079 -11.518 3.089 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.777 -9.835 2.705 1.00 25.00 H new ATOM 136 N HIS A 594 19.274 -10.567 4.671 1.00 25.00 N ATOM 137 CA HIS A 594 18.121 -11.029 5.456 1.00 25.00 C ATOM 138 C HIS A 594 16.788 -10.858 4.718 1.00 25.00 C ATOM 139 O HIS A 594 15.832 -11.585 5.010 1.00 25.00 O ATOM 140 CB HIS A 594 18.053 -10.344 6.839 1.00 25.00 C ATOM 141 CG HIS A 594 19.232 -10.571 7.740 1.00 25.00 C ATOM 142 ND1 HIS A 594 19.513 -11.792 8.316 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.177 -9.716 8.196 1.00 25.00 C ATOM 144 CE1 HIS A 594 20.578 -11.678 9.088 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.000 -10.429 9.032 1.00 25.00 N ATOM 0 H HIS A 594 19.341 -9.553 4.579 1.00 25.00 H new ATOM 0 HA HIS A 594 18.279 -12.097 5.604 1.00 25.00 H new ATOM 0 HB2 HIS A 594 17.938 -9.271 6.686 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.156 -10.691 7.352 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.267 -8.669 7.948 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.027 -12.472 9.667 1.00 25.00 H new ATOM 0 HE2 HIS A 594 21.807 -10.054 9.530 1.00 25.00 H new ATOM 154 N VAL A 595 16.715 -9.912 3.763 1.00 25.00 N ATOM 155 CA VAL A 595 15.483 -9.716 2.981 1.00 25.00 C ATOM 156 C VAL A 595 15.389 -10.787 1.884 1.00 25.00 C ATOM 157 O VAL A 595 16.320 -10.969 1.094 1.00 25.00 O ATOM 158 CB VAL A 595 15.368 -8.275 2.367 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.213 -8.151 1.367 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.184 -7.240 3.466 1.00 25.00 C ATOM 0 H VAL A 595 17.480 -9.283 3.518 1.00 25.00 H new ATOM 0 HA VAL A 595 14.643 -9.820 3.668 1.00 25.00 H new ATOM 0 HB VAL A 595 16.300 -8.094 1.831 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.180 -7.135 0.974 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.365 -8.853 0.547 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.272 -8.377 1.868 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.106 -6.248 3.022 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.274 -7.460 4.024 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.040 -7.270 4.141 1.00 25.00 H new ATOM 170 N THR A 596 14.250 -11.482 1.859 1.00 25.00 N ATOM 171 CA THR A 596 14.037 -12.611 0.950 1.00 25.00 C ATOM 172 C THR A 596 13.000 -12.286 -0.123 1.00 25.00 C ATOM 173 O THR A 596 12.513 -11.154 -0.215 1.00 25.00 O ATOM 174 CB THR A 596 13.567 -13.878 1.713 1.00 25.00 C ATOM 175 OG1 THR A 596 12.291 -13.646 2.327 1.00 25.00 O ATOM 176 CG2 THR A 596 14.566 -14.299 2.773 1.00 25.00 C ATOM 0 H THR A 596 13.454 -11.280 2.464 1.00 25.00 H new ATOM 0 HA THR A 596 15.001 -12.803 0.478 1.00 25.00 H new ATOM 0 HB THR A 596 13.484 -14.683 0.983 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.276 -14.058 3.216 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.200 -15.189 3.284 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.525 -14.519 2.303 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.692 -13.492 3.495 1.00 25.00 H new ATOM 184 N GLN A 597 12.677 -13.299 -0.937 1.00 25.00 N ATOM 185 CA GLN A 597 11.550 -13.239 -1.871 1.00 25.00 C ATOM 186 C GLN A 597 10.222 -13.345 -1.102 1.00 25.00 C ATOM 187 O GLN A 597 9.158 -13.008 -1.630 1.00 25.00 O ATOM 188 CB GLN A 597 11.637 -14.365 -2.923 1.00 25.00 C ATOM 189 CG GLN A 597 12.838 -14.290 -3.866 1.00 25.00 C ATOM 190 CD GLN A 597 12.869 -15.395 -4.913 1.00 25.00 C ATOM 191 OE1 GLN A 597 11.852 -16.251 -4.908 1.00 25.00 O flip ATOM 192 NE2 GLN A 597 13.802 -15.480 -5.712 1.00 25.00 N flip ATOM 0 H GLN A 597 13.189 -14.180 -0.965 1.00 25.00 H new ATOM 0 HA GLN A 597 11.593 -12.282 -2.391 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.664 -15.323 -2.404 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.726 -14.352 -3.521 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.831 -13.324 -4.371 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.754 -14.335 -3.277 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.563 -14.802 -5.681 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.814 -16.229 -6.405 1.00 25.00 H new ATOM 201 N ASP A 598 10.307 -13.825 0.155 1.00 25.00 N ATOM 202 CA ASP A 598 9.132 -13.995 1.015 1.00 25.00 C ATOM 203 C ASP A 598 8.769 -12.687 1.740 1.00 25.00 C ATOM 204 O ASP A 598 7.589 -12.451 2.016 1.00 25.00 O ATOM 205 CB ASP A 598 9.380 -15.128 2.024 1.00 25.00 C ATOM 206 CG ASP A 598 9.415 -16.508 1.384 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.955 -16.639 0.230 1.00 25.00 O ATOM 208 OD2 ASP A 598 9.902 -17.454 2.039 1.00 25.00 O ATOM 0 H ASP A 598 11.185 -14.102 0.594 1.00 25.00 H new ATOM 0 HA ASP A 598 8.284 -14.262 0.384 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.325 -14.949 2.536 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.598 -15.107 2.783 1.00 25.00 H new ATOM 213 N LEU A 599 9.777 -11.839 2.053 1.00 25.00 N ATOM 214 CA LEU A 599 9.502 -10.507 2.623 1.00 25.00 C ATOM 215 C LEU A 599 8.790 -9.606 1.612 1.00 25.00 C ATOM 216 O LEU A 599 7.749 -9.037 1.927 1.00 25.00 O ATOM 217 CB LEU A 599 10.783 -9.800 3.142 1.00 25.00 C ATOM 218 CG LEU A 599 11.466 -10.384 4.408 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.315 -9.316 5.074 1.00 25.00 C ATOM 220 CD2 LEU A 599 10.470 -10.916 5.436 1.00 25.00 C ATOM 0 H LEU A 599 10.766 -12.050 1.923 1.00 25.00 H new ATOM 0 HA LEU A 599 8.847 -10.676 3.478 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.516 -9.799 2.335 1.00 25.00 H new ATOM 0 HB3 LEU A 599 10.532 -8.759 3.346 1.00 25.00 H new ATOM 0 HG LEU A 599 12.076 -11.221 4.069 1.00 25.00 H new ATOM 0 HD11 LEU A 599 12.792 -9.731 5.962 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.080 -8.973 4.378 1.00 25.00 H new ATOM 0 HD13 LEU A 599 11.683 -8.476 5.361 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.011 -11.310 6.296 1.00 25.00 H new ATOM 0 HD22 LEU A 599 9.814 -10.108 5.759 1.00 25.00 H new ATOM 0 HD23 LEU A 599 9.874 -11.710 4.987 1.00 25.00 H new ATOM 232 N ARG A 600 9.323 -9.529 0.379 1.00 25.00 N ATOM 233 CA ARG A 600 8.772 -8.644 -0.670 1.00 25.00 C ATOM 234 C ARG A 600 7.265 -8.886 -0.919 1.00 25.00 C ATOM 235 O ARG A 600 6.552 -7.988 -1.374 1.00 25.00 O ATOM 236 CB ARG A 600 9.584 -8.791 -1.980 1.00 25.00 C ATOM 237 CG ARG A 600 11.040 -8.324 -1.907 1.00 25.00 C ATOM 238 CD ARG A 600 11.792 -8.578 -3.209 1.00 25.00 C ATOM 239 NE ARG A 600 11.262 -7.790 -4.333 1.00 25.00 N ATOM 240 CZ ARG A 600 11.624 -6.531 -4.623 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.525 -5.883 -3.886 1.00 25.00 N ATOM 242 NH2 ARG A 600 11.076 -5.918 -5.664 1.00 25.00 N ATOM 0 H ARG A 600 10.136 -10.069 0.082 1.00 25.00 H new ATOM 0 HA ARG A 600 8.865 -7.619 -0.311 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.571 -9.839 -2.280 1.00 25.00 H new ATOM 0 HB3 ARG A 600 9.079 -8.229 -2.765 1.00 25.00 H new ATOM 0 HG2 ARG A 600 11.067 -7.259 -1.675 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.545 -8.841 -1.091 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.846 -8.339 -3.068 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.736 -9.638 -3.455 1.00 25.00 H new ATOM 0 HE ARG A 600 10.569 -8.233 -4.936 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.954 -6.344 -3.084 1.00 25.00 H new ATOM 0 HH12 ARG A 600 12.786 -4.926 -4.124 1.00 25.00 H new ATOM 0 HH21 ARG A 600 10.385 -6.404 -6.236 1.00 25.00 H new ATOM 0 HH22 ARG A 600 11.345 -4.961 -5.892 1.00 25.00 H new ATOM 256 N SER A 601 6.807 -10.110 -0.612 1.00 25.00 N ATOM 257 CA SER A 601 5.396 -10.485 -0.732 1.00 25.00 C ATOM 258 C SER A 601 4.595 -10.091 0.524 1.00 25.00 C ATOM 259 O SER A 601 3.424 -9.715 0.424 1.00 25.00 O ATOM 260 CB SER A 601 5.282 -11.997 -0.968 1.00 25.00 C ATOM 261 OG SER A 601 5.684 -12.732 0.176 1.00 25.00 O ATOM 0 H SER A 601 7.406 -10.864 -0.275 1.00 25.00 H new ATOM 0 HA SER A 601 4.975 -9.945 -1.580 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.253 -12.250 -1.222 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.899 -12.281 -1.820 1.00 25.00 H new ATOM 0 HG SER A 601 6.429 -12.271 0.616 1.00 25.00 H new ATOM 267 N HIS A 602 5.243 -10.183 1.702 1.00 25.00 N ATOM 268 CA HIS A 602 4.602 -9.873 2.994 1.00 25.00 C ATOM 269 C HIS A 602 4.496 -8.355 3.216 1.00 25.00 C ATOM 270 O HIS A 602 3.627 -7.888 3.956 1.00 25.00 O ATOM 271 CB HIS A 602 5.392 -10.537 4.137 1.00 25.00 C ATOM 272 CG HIS A 602 5.375 -12.042 4.117 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.190 -12.817 4.916 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.628 -12.911 3.391 1.00 25.00 C ATOM 275 CE1 HIS A 602 5.947 -14.095 4.683 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.004 -14.178 3.763 1.00 25.00 N ATOM 0 H HIS A 602 6.218 -10.472 1.784 1.00 25.00 H new ATOM 0 HA HIS A 602 3.588 -10.272 2.982 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.427 -10.198 4.091 1.00 25.00 H new ATOM 0 HB3 HIS A 602 4.986 -10.195 5.089 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.878 -12.654 2.658 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.437 -14.929 5.163 1.00 25.00 H new ATOM 0 HE2 HIS A 602 4.617 -15.044 3.389 1.00 25.00 H new ATOM 285 N LEU A 603 5.398 -7.605 2.572 1.00 25.00 N ATOM 286 CA LEU A 603 5.378 -6.136 2.557 1.00 25.00 C ATOM 287 C LEU A 603 4.191 -5.612 1.731 1.00 25.00 C ATOM 288 O LEU A 603 3.638 -4.546 2.016 1.00 25.00 O ATOM 289 CB LEU A 603 6.711 -5.649 1.951 1.00 25.00 C ATOM 290 CG LEU A 603 7.998 -5.712 2.835 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.233 -5.303 2.078 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.931 -4.859 4.089 1.00 25.00 C ATOM 0 H LEU A 603 6.171 -8.005 2.040 1.00 25.00 H new ATOM 0 HA LEU A 603 5.261 -5.757 3.572 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.899 -6.233 1.050 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.574 -4.614 1.637 1.00 25.00 H new ATOM 0 HG LEU A 603 8.055 -6.761 3.126 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.100 -5.364 2.736 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.376 -5.969 1.227 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.119 -4.279 1.722 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.862 -4.958 4.647 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.784 -3.815 3.812 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.099 -5.190 4.710 1.00 25.00 H new ATOM 304 N VAL A 604 3.826 -6.391 0.702 1.00 25.00 N ATOM 305 CA VAL A 604 2.667 -6.138 -0.156 1.00 25.00 C ATOM 306 C VAL A 604 1.383 -6.683 0.505 1.00 25.00 C ATOM 307 O VAL A 604 0.286 -6.178 0.254 1.00 25.00 O ATOM 308 CB VAL A 604 2.938 -6.787 -1.547 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.770 -6.664 -2.512 1.00 25.00 C ATOM 310 CG2 VAL A 604 4.162 -6.141 -2.168 1.00 25.00 C ATOM 0 H VAL A 604 4.342 -7.231 0.441 1.00 25.00 H new ATOM 0 HA VAL A 604 2.515 -5.068 -0.294 1.00 25.00 H new ATOM 0 HB VAL A 604 3.094 -7.851 -1.372 1.00 25.00 H new ATOM 0 HG11 VAL A 604 2.029 -7.137 -3.459 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.894 -7.156 -2.088 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.548 -5.611 -2.682 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.357 -6.591 -3.141 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.987 -5.072 -2.291 1.00 25.00 H new ATOM 0 HG23 VAL A 604 5.024 -6.295 -1.518 1.00 25.00 H new ATOM 320 N HIS A 605 1.546 -7.716 1.349 1.00 25.00 N ATOM 321 CA HIS A 605 0.460 -8.228 2.197 1.00 25.00 C ATOM 322 C HIS A 605 0.275 -7.312 3.419 1.00 25.00 C ATOM 323 O HIS A 605 -0.756 -7.356 4.095 1.00 25.00 O ATOM 324 CB HIS A 605 0.758 -9.673 2.638 1.00 25.00 C ATOM 325 CG HIS A 605 -0.320 -10.303 3.478 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.559 -10.647 2.979 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.343 -10.637 4.793 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.296 -11.163 3.948 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.581 -11.169 5.057 1.00 25.00 N ATOM 0 H HIS A 605 2.428 -8.215 1.461 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.466 -8.234 1.622 1.00 25.00 H new ATOM 0 HB2 HIS A 605 0.914 -10.286 1.750 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.692 -9.683 3.200 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.463 -10.508 5.501 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.311 -11.519 3.849 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -1.897 -11.513 5.964 1.00 25.00 H new ATOM 338 N LYS A 606 1.301 -6.485 3.676 1.00 25.00 N ATOM 339 CA LYS A 606 1.273 -5.463 4.729 1.00 25.00 C ATOM 340 C LYS A 606 0.531 -4.231 4.202 1.00 25.00 C ATOM 341 O LYS A 606 -0.053 -3.454 4.960 1.00 25.00 O ATOM 342 CB LYS A 606 2.714 -5.080 5.101 1.00 25.00 C ATOM 343 CG LYS A 606 2.843 -4.089 6.251 1.00 25.00 C ATOM 344 CD LYS A 606 4.299 -3.878 6.623 1.00 25.00 C ATOM 345 CE LYS A 606 4.439 -2.917 7.780 1.00 25.00 C ATOM 346 NZ LYS A 606 5.860 -2.712 8.173 1.00 25.00 N ATOM 0 H LYS A 606 2.177 -6.509 3.155 1.00 25.00 H new ATOM 0 HA LYS A 606 0.764 -5.848 5.612 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.259 -5.987 5.361 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.200 -4.657 4.221 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.394 -3.137 5.968 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.292 -4.456 7.117 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.751 -4.834 6.886 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.844 -3.494 5.761 1.00 25.00 H new ATOM 0 HE2 LYS A 606 3.997 -1.958 7.509 1.00 25.00 H new ATOM 0 HE3 LYS A 606 3.879 -3.296 8.635 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.907 -2.046 8.970 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.276 -3.622 8.457 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.391 -2.325 7.367 1.00 25.00 H new ATOM 360 N LEU A 607 0.583 -4.095 2.875 1.00 25.00 N ATOM 361 CA LEU A 607 -0.042 -3.007 2.141 1.00 25.00 C ATOM 362 C LEU A 607 -1.549 -3.244 1.998 1.00 25.00 C ATOM 363 O LEU A 607 -2.356 -2.437 2.459 1.00 25.00 O ATOM 364 CB LEU A 607 0.616 -2.938 0.750 1.00 25.00 C ATOM 365 CG LEU A 607 1.676 -1.844 0.466 1.00 25.00 C ATOM 366 CD1 LEU A 607 2.737 -2.232 -0.557 1.00 25.00 C ATOM 367 CD2 LEU A 607 0.982 -0.571 0.068 1.00 25.00 C ATOM 0 H LEU A 607 1.073 -4.756 2.273 1.00 25.00 H new ATOM 0 HA LEU A 607 0.096 -2.069 2.678 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.084 -3.904 0.561 1.00 25.00 H new ATOM 0 HB3 LEU A 607 -0.181 -2.820 0.016 1.00 25.00 H new ATOM 0 HG LEU A 607 2.230 -1.704 1.394 1.00 25.00 H new ATOM 0 HD11 LEU A 607 3.434 -1.405 -0.690 1.00 25.00 H new ATOM 0 HD12 LEU A 607 3.279 -3.110 -0.204 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.258 -2.460 -1.509 1.00 25.00 H new ATOM 0 HD21 LEU A 607 1.725 0.201 -0.133 1.00 25.00 H new ATOM 0 HD22 LEU A 607 0.389 -0.745 -0.829 1.00 25.00 H new ATOM 0 HD23 LEU A 607 0.329 -0.244 0.877 1.00 25.00 H new ATOM 379 N VAL A 608 -1.905 -4.390 1.387 1.00 25.00 N ATOM 380 CA VAL A 608 -3.304 -4.781 1.133 1.00 25.00 C ATOM 381 C VAL A 608 -4.104 -4.928 2.451 1.00 25.00 C ATOM 382 O VAL A 608 -5.326 -4.774 2.455 1.00 25.00 O ATOM 383 CB VAL A 608 -3.351 -6.115 0.307 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.769 -6.659 0.152 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.723 -5.922 -1.075 1.00 25.00 C ATOM 0 H VAL A 608 -1.226 -5.074 1.054 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.774 -3.987 0.552 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.774 -6.847 0.872 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.743 -7.582 -0.427 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.191 -6.860 1.137 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.386 -5.924 -0.364 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.767 -6.860 -1.629 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.271 -5.153 -1.619 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.683 -5.616 -0.962 1.00 25.00 H new ATOM 395 N GLN A 609 -3.394 -5.202 3.558 1.00 25.00 N ATOM 396 CA GLN A 609 -4.013 -5.361 4.875 1.00 25.00 C ATOM 397 C GLN A 609 -4.221 -3.990 5.540 1.00 25.00 C ATOM 398 O GLN A 609 -5.220 -3.776 6.233 1.00 25.00 O ATOM 399 CB GLN A 609 -3.131 -6.275 5.746 1.00 25.00 C ATOM 400 CG GLN A 609 -3.716 -6.601 7.114 1.00 25.00 C ATOM 401 CD GLN A 609 -2.846 -7.550 7.916 1.00 25.00 C ATOM 402 OE1 GLN A 609 -1.875 -8.106 7.403 1.00 25.00 O ATOM 403 NE2 GLN A 609 -3.196 -7.747 9.184 1.00 25.00 N ATOM 0 H GLN A 609 -2.381 -5.318 3.561 1.00 25.00 H new ATOM 0 HA GLN A 609 -4.993 -5.824 4.763 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.954 -7.207 5.209 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -2.161 -5.798 5.884 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -3.851 -5.677 7.676 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -4.704 -7.043 6.985 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.008 -7.266 9.569 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -2.652 -8.379 9.771 1.00 25.00 H new ATOM 412 N ALA A 610 -3.266 -3.074 5.315 1.00 25.00 N ATOM 413 CA ALA A 610 -3.358 -1.694 5.806 1.00 25.00 C ATOM 414 C ALA A 610 -4.357 -0.864 4.988 1.00 25.00 C ATOM 415 O ALA A 610 -4.890 0.137 5.478 1.00 25.00 O ATOM 416 CB ALA A 610 -1.984 -1.053 5.759 1.00 25.00 C ATOM 0 H ALA A 610 -2.413 -3.270 4.790 1.00 25.00 H new ATOM 0 HA ALA A 610 -3.721 -1.720 6.833 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.048 -0.028 6.123 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.297 -1.619 6.388 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.618 -1.051 4.732 1.00 25.00 H new ATOM 422 N ILE A 611 -4.603 -1.297 3.745 1.00 25.00 N ATOM 423 CA ILE A 611 -5.553 -0.635 2.844 1.00 25.00 C ATOM 424 C ILE A 611 -6.975 -1.197 3.071 1.00 25.00 C ATOM 425 O ILE A 611 -7.911 -0.432 3.317 1.00 25.00 O ATOM 426 CB ILE A 611 -5.101 -0.781 1.347 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.848 0.072 1.082 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.204 -0.358 0.375 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.172 -0.189 -0.254 1.00 25.00 C ATOM 0 H ILE A 611 -4.150 -2.115 3.337 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.571 0.431 3.070 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.879 -1.835 1.181 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.125 1.125 1.134 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.127 -0.108 1.880 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.850 -0.474 -0.649 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.084 -0.983 0.528 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.465 0.685 0.553 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.300 0.457 -0.353 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.859 -1.232 -0.306 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.872 0.021 -1.063 1.00 25.00 H new ATOM 441 N PHE A 612 -7.118 -2.530 2.981 1.00 25.00 N ATOM 442 CA PHE A 612 -8.391 -3.200 3.243 1.00 25.00 C ATOM 443 C PHE A 612 -8.160 -4.512 4.032 1.00 25.00 C ATOM 444 O PHE A 612 -7.521 -5.432 3.511 1.00 25.00 O ATOM 445 CB PHE A 612 -9.126 -3.480 1.910 1.00 25.00 C ATOM 446 CG PHE A 612 -10.418 -4.248 2.055 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.550 -3.622 2.544 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.497 -5.582 1.692 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.742 -4.311 2.671 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.684 -6.279 1.816 1.00 25.00 C ATOM 451 CZ PHE A 612 -12.808 -5.642 2.308 1.00 25.00 C ATOM 0 H PHE A 612 -6.359 -3.163 2.727 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.016 -2.546 3.852 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.336 -2.530 1.420 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.459 -4.037 1.252 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.502 -2.582 2.830 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.621 -6.083 1.308 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.619 -3.810 3.053 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -11.733 -7.319 1.529 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.736 -6.184 2.408 1.00 25.00 H new ATOM 461 N PRO A 613 -8.674 -4.635 5.306 1.00 25.00 N ATOM 462 CA PRO A 613 -8.618 -5.905 6.065 1.00 25.00 C ATOM 463 C PRO A 613 -9.400 -7.031 5.376 1.00 25.00 C ATOM 464 O PRO A 613 -10.504 -6.805 4.871 1.00 25.00 O ATOM 465 CB PRO A 613 -9.261 -5.561 7.417 1.00 25.00 C ATOM 466 CG PRO A 613 -9.070 -4.097 7.578 1.00 25.00 C ATOM 467 CD PRO A 613 -9.309 -3.567 6.114 1.00 25.00 C ATOM 0 HA PRO A 613 -7.596 -6.273 6.151 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -10.319 -5.824 7.428 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -8.787 -6.112 8.230 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -9.779 -3.669 8.287 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.071 -3.854 7.941 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -10.369 -3.456 5.886 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.843 -2.595 5.948 1.00 25.00 H new ATOM 475 N THR A 614 -8.819 -8.236 5.367 1.00 25.00 N ATOM 476 CA THR A 614 -9.392 -9.370 4.641 1.00 25.00 C ATOM 477 C THR A 614 -10.319 -10.233 5.507 1.00 25.00 C ATOM 478 O THR A 614 -9.873 -10.857 6.475 1.00 25.00 O ATOM 479 CB THR A 614 -8.317 -10.283 4.032 1.00 25.00 C ATOM 480 OG1 THR A 614 -7.409 -9.533 3.215 1.00 25.00 O ATOM 481 CG2 THR A 614 -8.949 -11.409 3.236 1.00 25.00 C ATOM 0 H THR A 614 -7.950 -8.449 5.856 1.00 25.00 H new ATOM 0 HA THR A 614 -9.977 -8.912 3.844 1.00 25.00 H new ATOM 0 HB THR A 614 -7.750 -10.724 4.852 1.00 25.00 H new ATOM 0 HG1 THR A 614 -6.733 -10.135 2.840 1.00 25.00 H new ATOM 0 HG21 THR A 614 -8.167 -12.041 2.815 1.00 25.00 H new ATOM 0 HG22 THR A 614 -9.584 -12.005 3.891 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.551 -10.991 2.429 1.00 25.00 H new ATOM 489 N PRO A 615 -11.644 -10.260 5.169 1.00 25.00 N ATOM 490 CA PRO A 615 -12.606 -11.239 5.720 1.00 25.00 C ATOM 491 C PRO A 615 -12.278 -12.681 5.321 1.00 25.00 C ATOM 492 O PRO A 615 -12.118 -13.553 6.178 1.00 25.00 O ATOM 493 CB PRO A 615 -13.937 -10.830 5.083 1.00 25.00 C ATOM 494 CG PRO A 615 -13.811 -9.372 4.841 1.00 25.00 C ATOM 495 CD PRO A 615 -12.327 -9.303 4.270 1.00 25.00 C ATOM 0 HA PRO A 615 -12.601 -11.226 6.810 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -14.113 -11.371 4.153 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -14.776 -11.050 5.744 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -14.548 -9.005 4.127 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -13.932 -8.788 5.753 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.271 -9.605 3.224 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.905 -8.300 4.335 1.00 25.00 H new ATOM 503 N ASP A 616 -12.194 -12.905 4.004 1.00 25.00 N ATOM 504 CA ASP A 616 -11.927 -14.232 3.445 1.00 25.00 C ATOM 505 C ASP A 616 -10.741 -14.204 2.469 1.00 25.00 C ATOM 506 O ASP A 616 -10.590 -13.257 1.692 1.00 25.00 O ATOM 507 CB ASP A 616 -13.177 -14.777 2.741 1.00 25.00 C ATOM 508 CG ASP A 616 -13.241 -16.295 2.706 1.00 25.00 C ATOM 509 OD1 ASP A 616 -13.614 -16.900 3.730 1.00 25.00 O ATOM 510 OD2 ASP A 616 -12.918 -16.878 1.649 1.00 25.00 O ATOM 0 H ASP A 616 -12.309 -12.175 3.301 1.00 25.00 H new ATOM 0 HA ASP A 616 -11.666 -14.893 4.272 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -14.064 -14.396 3.247 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.204 -14.397 1.720 1.00 25.00 H new ATOM 515 N PRO A 617 -9.876 -15.265 2.513 1.00 25.00 N ATOM 516 CA PRO A 617 -8.747 -15.456 1.565 1.00 25.00 C ATOM 517 C PRO A 617 -9.172 -15.565 0.085 1.00 25.00 C ATOM 518 O PRO A 617 -8.326 -15.482 -0.811 1.00 25.00 O ATOM 519 CB PRO A 617 -8.128 -16.790 2.024 1.00 25.00 C ATOM 520 CG PRO A 617 -8.557 -16.945 3.445 1.00 25.00 C ATOM 521 CD PRO A 617 -9.908 -16.355 3.519 1.00 25.00 C ATOM 0 HA PRO A 617 -8.075 -14.598 1.590 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -8.481 -17.620 1.412 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -7.041 -16.771 1.939 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -8.571 -17.995 3.738 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -7.869 -16.435 4.120 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -10.678 -17.090 3.287 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -10.123 -15.972 4.517 1.00 25.00 H new ATOM 529 N ALA A 618 -10.480 -15.754 -0.156 1.00 25.00 N ATOM 530 CA ALA A 618 -11.021 -15.910 -1.515 1.00 25.00 C ATOM 531 C ALA A 618 -11.326 -14.561 -2.180 1.00 25.00 C ATOM 532 O ALA A 618 -11.426 -14.483 -3.408 1.00 25.00 O ATOM 533 CB ALA A 618 -12.274 -16.777 -1.488 1.00 25.00 C ATOM 0 H ALA A 618 -11.186 -15.803 0.579 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.252 -16.400 -2.113 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -12.664 -16.884 -2.500 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.027 -17.760 -1.088 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.028 -16.307 -0.857 1.00 25.00 H new ATOM 539 N ALA A 619 -11.469 -13.502 -1.362 1.00 25.00 N ATOM 540 CA ALA A 619 -11.707 -12.134 -1.865 1.00 25.00 C ATOM 541 C ALA A 619 -10.502 -11.563 -2.632 1.00 25.00 C ATOM 542 O ALA A 619 -10.609 -10.509 -3.269 1.00 25.00 O ATOM 543 CB ALA A 619 -12.052 -11.208 -0.708 1.00 25.00 C ATOM 0 H ALA A 619 -11.424 -13.567 -0.345 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.541 -12.196 -2.565 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.226 -10.201 -1.087 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.952 -11.568 -0.209 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.226 -11.190 0.003 1.00 25.00 H new ATOM 549 N LEU A 620 -9.367 -12.271 -2.573 1.00 25.00 N ATOM 550 CA LEU A 620 -8.116 -11.809 -3.173 1.00 25.00 C ATOM 551 C LEU A 620 -8.001 -12.204 -4.657 1.00 25.00 C ATOM 552 O LEU A 620 -7.002 -11.886 -5.314 1.00 25.00 O ATOM 553 CB LEU A 620 -6.913 -12.388 -2.388 1.00 25.00 C ATOM 554 CG LEU A 620 -6.749 -11.995 -0.892 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.577 -12.724 -0.237 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.605 -10.485 -0.718 1.00 25.00 C ATOM 0 H LEU A 620 -9.293 -13.176 -2.109 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.111 -10.720 -3.120 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.974 -13.475 -2.441 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -6.003 -12.094 -2.910 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.662 -12.308 -0.386 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.498 -12.421 0.807 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.742 -13.800 -0.291 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.654 -12.472 -0.759 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.493 -10.250 0.340 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.726 -10.138 -1.262 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.493 -9.987 -1.108 1.00 25.00 H new ATOM 568 N LYS A 621 -9.032 -12.883 -5.177 1.00 25.00 N ATOM 569 CA LYS A 621 -9.037 -13.365 -6.564 1.00 25.00 C ATOM 570 C LYS A 621 -9.922 -12.462 -7.446 1.00 25.00 C ATOM 571 O LYS A 621 -10.272 -12.818 -8.578 1.00 25.00 O ATOM 572 CB LYS A 621 -9.523 -14.832 -6.597 1.00 25.00 C ATOM 573 CG LYS A 621 -8.713 -15.807 -5.737 1.00 25.00 C ATOM 574 CD LYS A 621 -7.268 -15.926 -6.213 1.00 25.00 C ATOM 575 CE LYS A 621 -6.463 -16.859 -5.335 1.00 25.00 C ATOM 576 NZ LYS A 621 -5.012 -16.823 -5.669 1.00 25.00 N ATOM 0 H LYS A 621 -9.878 -13.112 -4.654 1.00 25.00 H new ATOM 0 HA LYS A 621 -8.024 -13.325 -6.966 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -10.562 -14.861 -6.270 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -9.504 -15.181 -7.629 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -8.726 -15.472 -4.700 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -9.185 -16.789 -5.761 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -7.252 -16.290 -7.240 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -6.804 -14.940 -6.217 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -6.602 -16.583 -4.290 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -6.836 -17.877 -5.449 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -4.496 -17.476 -5.045 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -4.876 -17.111 -6.659 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -4.649 -15.857 -5.536 1.00 25.00 H new ATOM 590 N ASP A 622 -10.257 -11.281 -6.912 1.00 25.00 N ATOM 591 CA ASP A 622 -11.142 -10.327 -7.582 1.00 25.00 C ATOM 592 C ASP A 622 -10.360 -9.455 -8.579 1.00 25.00 C ATOM 593 O ASP A 622 -9.174 -9.173 -8.386 1.00 25.00 O ATOM 594 CB ASP A 622 -11.829 -9.458 -6.519 1.00 25.00 C ATOM 595 CG ASP A 622 -12.829 -8.474 -7.106 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.813 -8.926 -7.728 1.00 25.00 O ATOM 597 OD2 ASP A 622 -12.629 -7.252 -6.938 1.00 25.00 O ATOM 0 H ASP A 622 -9.921 -10.962 -6.003 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.896 -10.872 -8.150 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -12.341 -10.104 -5.806 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.070 -8.907 -5.963 1.00 25.00 H new ATOM 602 N ARG A 623 -11.064 -9.036 -9.642 1.00 25.00 N ATOM 603 CA ARG A 623 -10.487 -8.234 -10.732 1.00 25.00 C ATOM 604 C ARG A 623 -10.270 -6.768 -10.307 1.00 25.00 C ATOM 605 O ARG A 623 -9.213 -6.192 -10.572 1.00 25.00 O ATOM 606 CB ARG A 623 -11.418 -8.322 -11.967 1.00 25.00 C ATOM 607 CG ARG A 623 -10.994 -7.487 -13.177 1.00 25.00 C ATOM 608 CD ARG A 623 -9.591 -7.836 -13.675 1.00 25.00 C ATOM 609 NE ARG A 623 -9.472 -9.240 -14.091 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.312 -9.877 -14.306 1.00 25.00 C ATOM 611 NH1 ARG A 623 -7.143 -9.256 -14.154 1.00 25.00 N ATOM 612 NH2 ARG A 623 -8.324 -11.149 -14.678 1.00 25.00 N ATOM 0 H ARG A 623 -12.054 -9.245 -9.770 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.506 -8.636 -10.985 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -11.486 -9.366 -12.274 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -12.419 -8.012 -11.667 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.709 -7.638 -13.985 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -11.029 -6.430 -12.913 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -9.336 -7.189 -14.515 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -8.868 -7.632 -12.885 1.00 25.00 H new ATOM 0 HE ARG A 623 -10.334 -9.768 -14.226 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -7.119 -8.277 -13.869 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -6.272 -9.760 -14.323 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -9.212 -11.637 -14.799 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.446 -11.640 -14.843 1.00 25.00 H new ATOM 626 N ARG A 624 -11.290 -6.182 -9.666 1.00 25.00 N ATOM 627 CA ARG A 624 -11.245 -4.788 -9.180 1.00 25.00 C ATOM 628 C ARG A 624 -10.200 -4.580 -8.070 1.00 25.00 C ATOM 629 O ARG A 624 -9.777 -3.447 -7.820 1.00 25.00 O ATOM 630 CB ARG A 624 -12.632 -4.359 -8.660 1.00 25.00 C ATOM 631 CG ARG A 624 -13.717 -4.223 -9.737 1.00 25.00 C ATOM 632 CD ARG A 624 -15.024 -3.639 -9.198 1.00 25.00 C ATOM 633 NE ARG A 624 -14.889 -2.227 -8.807 1.00 25.00 N ATOM 634 CZ ARG A 624 -15.918 -1.386 -8.612 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.177 -1.785 -8.774 1.00 25.00 N ATOM 636 NH2 ARG A 624 -15.677 -0.131 -8.252 1.00 25.00 N ATOM 0 H ARG A 624 -12.171 -6.657 -9.468 1.00 25.00 H new ATOM 0 HA ARG A 624 -10.953 -4.170 -10.029 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.966 -5.086 -7.919 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.531 -3.403 -8.146 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.346 -3.587 -10.541 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -13.915 -5.203 -10.171 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.800 -3.730 -9.958 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -15.351 -4.222 -8.337 1.00 25.00 H new ATOM 0 HE ARG A 624 -13.946 -1.860 -8.675 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -17.376 -2.746 -9.052 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -17.943 -1.130 -8.621 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -14.716 0.188 -8.126 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -16.452 0.514 -8.102 1.00 25.00 H new ATOM 650 N MET A 625 -9.784 -5.677 -7.420 1.00 25.00 N ATOM 651 CA MET A 625 -8.832 -5.613 -6.305 1.00 25.00 C ATOM 652 C MET A 625 -7.377 -5.642 -6.797 1.00 25.00 C ATOM 653 O MET A 625 -6.532 -4.909 -6.274 1.00 25.00 O ATOM 654 CB MET A 625 -9.088 -6.769 -5.324 1.00 25.00 C ATOM 655 CG MET A 625 -8.266 -6.688 -4.039 1.00 25.00 C ATOM 656 SD MET A 625 -8.891 -7.787 -2.754 1.00 25.00 S ATOM 657 CE MET A 625 -8.339 -6.936 -1.284 1.00 25.00 C ATOM 0 H MET A 625 -10.094 -6.621 -7.650 1.00 25.00 H new ATOM 0 HA MET A 625 -8.986 -4.665 -5.790 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.147 -6.784 -5.065 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.868 -7.712 -5.825 1.00 25.00 H new ATOM 0 HG2 MET A 625 -7.229 -6.942 -4.258 1.00 25.00 H new ATOM 0 HG3 MET A 625 -8.272 -5.662 -3.671 1.00 25.00 H new ATOM 0 HE1 MET A 625 -8.811 -7.380 -0.408 1.00 25.00 H new ATOM 0 HE2 MET A 625 -7.256 -7.024 -1.197 1.00 25.00 H new ATOM 0 HE3 MET A 625 -8.613 -5.883 -1.349 1.00 25.00 H new ATOM 667 N GLU A 626 -7.098 -6.496 -7.795 1.00 25.00 N ATOM 668 CA GLU A 626 -5.746 -6.649 -8.361 1.00 25.00 C ATOM 669 C GLU A 626 -5.160 -5.335 -8.909 1.00 25.00 C ATOM 670 O GLU A 626 -3.941 -5.215 -9.067 1.00 25.00 O ATOM 671 CB GLU A 626 -5.732 -7.725 -9.451 1.00 25.00 C ATOM 672 CG GLU A 626 -5.780 -9.143 -8.902 1.00 25.00 C ATOM 673 CD GLU A 626 -4.482 -9.559 -8.236 1.00 25.00 C ATOM 674 OE1 GLU A 626 -3.426 -9.498 -8.901 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.521 -9.946 -7.049 1.00 25.00 O ATOM 0 H GLU A 626 -7.798 -7.097 -8.231 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.107 -6.958 -7.533 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.584 -7.571 -10.114 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -4.832 -7.608 -10.055 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -6.594 -9.222 -8.182 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -6.005 -9.835 -9.714 1.00 25.00 H new ATOM 682 N ASN A 627 -6.036 -4.358 -9.193 1.00 25.00 N ATOM 683 CA ASN A 627 -5.620 -3.040 -9.696 1.00 25.00 C ATOM 684 C ASN A 627 -4.884 -2.215 -8.627 1.00 25.00 C ATOM 685 O ASN A 627 -3.974 -1.450 -8.958 1.00 25.00 O ATOM 686 CB ASN A 627 -6.835 -2.258 -10.223 1.00 25.00 C ATOM 687 CG ASN A 627 -7.353 -2.757 -11.572 1.00 25.00 C ATOM 688 OD1 ASN A 627 -6.596 -3.318 -12.364 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.649 -2.580 -11.834 1.00 25.00 N ATOM 0 H ASN A 627 -7.045 -4.458 -9.081 1.00 25.00 H new ATOM 0 HA ASN A 627 -4.921 -3.215 -10.513 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.640 -2.319 -9.490 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.566 -1.206 -10.314 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.042 -2.914 -12.714 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.247 -2.111 -11.154 1.00 25.00 H new ATOM 696 N LEU A 628 -5.283 -2.371 -7.349 1.00 25.00 N ATOM 697 CA LEU A 628 -4.602 -1.689 -6.239 1.00 25.00 C ATOM 698 C LEU A 628 -3.412 -2.523 -5.744 1.00 25.00 C ATOM 699 O LEU A 628 -2.432 -1.973 -5.238 1.00 25.00 O ATOM 700 CB LEU A 628 -5.601 -1.300 -5.100 1.00 25.00 C ATOM 701 CG LEU A 628 -6.928 -0.576 -5.451 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.757 -0.283 -4.209 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.626 0.733 -6.145 1.00 25.00 C ATOM 0 H LEU A 628 -6.067 -2.959 -7.065 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.196 -0.746 -6.606 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.861 -2.216 -4.569 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -5.061 -0.666 -4.397 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.498 -1.238 -6.103 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.678 0.224 -4.497 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -8.001 -1.218 -3.705 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -7.187 0.355 -3.534 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -7.560 1.239 -6.390 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -6.033 1.366 -5.485 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -6.067 0.539 -7.061 1.00 25.00 H new ATOM 715 N VAL A 629 -3.523 -3.857 -5.872 1.00 25.00 N ATOM 716 CA VAL A 629 -2.403 -4.779 -5.605 1.00 25.00 C ATOM 717 C VAL A 629 -1.179 -4.357 -6.437 1.00 25.00 C ATOM 718 O VAL A 629 -0.050 -4.364 -5.949 1.00 25.00 O ATOM 719 CB VAL A 629 -2.815 -6.250 -5.935 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.637 -7.226 -5.880 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.929 -6.716 -4.998 1.00 25.00 C ATOM 0 H VAL A 629 -4.383 -4.324 -6.161 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.145 -4.731 -4.547 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.179 -6.249 -6.963 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -1.986 -8.231 -6.118 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -0.880 -6.924 -6.604 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.205 -7.219 -4.879 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.204 -7.742 -5.242 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.580 -6.669 -3.966 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.799 -6.070 -5.117 1.00 25.00 H new ATOM 731 N ALA A 630 -1.455 -3.966 -7.687 1.00 25.00 N ATOM 732 CA ALA A 630 -0.448 -3.460 -8.615 1.00 25.00 C ATOM 733 C ALA A 630 0.049 -2.061 -8.208 1.00 25.00 C ATOM 734 O ALA A 630 1.126 -1.628 -8.631 1.00 25.00 O ATOM 735 CB ALA A 630 -1.045 -3.448 -10.009 1.00 25.00 C ATOM 0 H ALA A 630 -2.395 -3.994 -8.082 1.00 25.00 H new ATOM 0 HA ALA A 630 0.424 -4.114 -8.593 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.307 -3.073 -10.718 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.335 -4.461 -10.289 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -1.923 -2.802 -10.023 1.00 25.00 H new ATOM 741 N TYR A 631 -0.755 -1.370 -7.381 1.00 25.00 N ATOM 742 CA TYR A 631 -0.359 -0.103 -6.748 1.00 25.00 C ATOM 743 C TYR A 631 0.615 -0.363 -5.580 1.00 25.00 C ATOM 744 O TYR A 631 1.487 0.464 -5.299 1.00 25.00 O ATOM 745 CB TYR A 631 -1.629 0.665 -6.280 1.00 25.00 C ATOM 746 CG TYR A 631 -2.489 1.278 -7.382 1.00 25.00 C ATOM 747 CD1 TYR A 631 -3.773 1.744 -7.101 1.00 25.00 C ATOM 748 CD2 TYR A 631 -2.016 1.406 -8.687 1.00 25.00 C ATOM 749 CE1 TYR A 631 -4.554 2.318 -8.087 1.00 25.00 C ATOM 750 CE2 TYR A 631 -2.796 1.977 -9.676 1.00 25.00 C ATOM 751 CZ TYR A 631 -4.052 2.363 -9.417 1.00 25.00 C ATOM 752 OH TYR A 631 -4.840 3.001 -10.353 1.00 25.00 O ATOM 0 H TYR A 631 -1.696 -1.675 -7.134 1.00 25.00 H new ATOM 0 HA TYR A 631 0.166 0.518 -7.474 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.250 -0.019 -5.702 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.318 1.462 -5.604 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -4.163 1.655 -6.098 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.024 1.054 -8.930 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -5.527 2.724 -7.852 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -2.388 2.113 -10.667 1.00 25.00 H new ATOM 0 HH TYR A 631 -4.398 2.972 -11.227 1.00 25.00 H new ATOM 762 N ALA A 632 0.450 -1.517 -4.914 1.00 25.00 N ATOM 763 CA ALA A 632 1.334 -1.920 -3.815 1.00 25.00 C ATOM 764 C ALA A 632 2.603 -2.606 -4.331 1.00 25.00 C ATOM 765 O ALA A 632 3.667 -2.485 -3.716 1.00 25.00 O ATOM 766 CB ALA A 632 0.615 -2.849 -2.860 1.00 25.00 C ATOM 0 H ALA A 632 -0.291 -2.187 -5.120 1.00 25.00 H new ATOM 0 HA ALA A 632 1.622 -1.010 -3.289 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.290 -3.135 -2.053 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.254 -2.340 -2.443 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.291 -3.742 -3.395 1.00 25.00 H new ATOM 772 N LYS A 633 2.481 -3.328 -5.465 1.00 25.00 N ATOM 773 CA LYS A 633 3.622 -4.033 -6.082 1.00 25.00 C ATOM 774 C LYS A 633 4.692 -3.040 -6.568 1.00 25.00 C ATOM 775 O LYS A 633 5.874 -3.382 -6.675 1.00 25.00 O ATOM 776 CB LYS A 633 3.177 -4.895 -7.290 1.00 25.00 C ATOM 777 CG LYS A 633 2.468 -6.221 -6.974 1.00 25.00 C ATOM 778 CD LYS A 633 2.059 -7.000 -8.222 1.00 25.00 C ATOM 779 CE LYS A 633 1.401 -8.325 -7.867 1.00 25.00 C ATOM 780 NZ LYS A 633 0.888 -9.029 -9.075 1.00 25.00 N ATOM 0 H LYS A 633 1.602 -3.437 -5.971 1.00 25.00 H new ATOM 0 HA LYS A 633 4.038 -4.679 -5.309 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.511 -4.294 -7.909 1.00 25.00 H new ATOM 0 HB3 LYS A 633 4.058 -5.117 -7.892 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.127 -6.841 -6.367 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.581 -6.017 -6.375 1.00 25.00 H new ATOM 0 HD2 LYS A 633 1.371 -6.399 -8.817 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.937 -7.184 -8.840 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.121 -8.962 -7.353 1.00 25.00 H new ATOM 0 HE3 LYS A 633 0.579 -8.148 -7.173 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.447 -9.927 -8.792 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 0.182 -8.432 -9.551 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 1.676 -9.220 -9.726 1.00 25.00 H new ATOM 794 N LYS A 634 4.245 -1.805 -6.852 1.00 25.00 N ATOM 795 CA LYS A 634 5.099 -0.744 -7.395 1.00 25.00 C ATOM 796 C LYS A 634 5.841 0.016 -6.281 1.00 25.00 C ATOM 797 O LYS A 634 6.997 0.405 -6.465 1.00 25.00 O ATOM 798 CB LYS A 634 4.234 0.222 -8.232 1.00 25.00 C ATOM 799 CG LYS A 634 5.008 1.346 -8.936 1.00 25.00 C ATOM 800 CD LYS A 634 4.092 2.277 -9.740 1.00 25.00 C ATOM 801 CE LYS A 634 4.866 3.310 -10.567 1.00 25.00 C ATOM 802 NZ LYS A 634 5.774 4.144 -9.727 1.00 25.00 N ATOM 0 H LYS A 634 3.277 -1.517 -6.710 1.00 25.00 H new ATOM 0 HA LYS A 634 5.859 -1.200 -8.030 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.697 -0.355 -8.985 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.484 0.671 -7.580 1.00 25.00 H new ATOM 0 HG2 LYS A 634 5.551 1.929 -8.192 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.751 0.908 -9.603 1.00 25.00 H new ATOM 0 HD2 LYS A 634 3.469 1.679 -10.406 1.00 25.00 H new ATOM 0 HD3 LYS A 634 3.420 2.796 -9.056 1.00 25.00 H new ATOM 0 HE2 LYS A 634 5.451 2.796 -11.330 1.00 25.00 H new ATOM 0 HE3 LYS A 634 4.160 3.957 -11.088 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 6.211 4.882 -10.315 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 5.228 4.589 -8.962 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 6.517 3.543 -9.317 1.00 25.00 H new ATOM 816 N VAL A 635 5.173 0.218 -5.133 1.00 25.00 N ATOM 817 CA VAL A 635 5.740 1.025 -4.038 1.00 25.00 C ATOM 818 C VAL A 635 6.813 0.256 -3.249 1.00 25.00 C ATOM 819 O VAL A 635 7.700 0.863 -2.660 1.00 25.00 O ATOM 820 CB VAL A 635 4.644 1.580 -3.064 1.00 25.00 C ATOM 821 CG1 VAL A 635 3.668 2.484 -3.802 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.887 0.476 -2.318 1.00 25.00 C ATOM 0 H VAL A 635 4.247 -0.163 -4.939 1.00 25.00 H new ATOM 0 HA VAL A 635 6.216 1.879 -4.520 1.00 25.00 H new ATOM 0 HB VAL A 635 5.174 2.163 -2.311 1.00 25.00 H new ATOM 0 HG11 VAL A 635 2.918 2.856 -3.104 1.00 25.00 H new ATOM 0 HG12 VAL A 635 4.208 3.325 -4.236 1.00 25.00 H new ATOM 0 HG13 VAL A 635 3.178 1.919 -4.595 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.143 0.926 -1.660 1.00 25.00 H new ATOM 0 HG22 VAL A 635 3.390 -0.174 -3.038 1.00 25.00 H new ATOM 0 HG23 VAL A 635 4.589 -0.110 -1.725 1.00 25.00 H new ATOM 832 N GLU A 636 6.717 -1.077 -3.258 1.00 25.00 N ATOM 833 CA GLU A 636 7.655 -1.945 -2.535 1.00 25.00 C ATOM 834 C GLU A 636 8.951 -2.164 -3.339 1.00 25.00 C ATOM 835 O GLU A 636 10.035 -2.260 -2.755 1.00 25.00 O ATOM 836 CB GLU A 636 6.963 -3.280 -2.229 1.00 25.00 C ATOM 837 CG GLU A 636 7.759 -4.212 -1.321 1.00 25.00 C ATOM 838 CD GLU A 636 8.780 -5.047 -2.073 1.00 25.00 C ATOM 839 OE1 GLU A 636 8.505 -5.422 -3.232 1.00 25.00 O ATOM 840 OE2 GLU A 636 9.851 -5.335 -1.497 1.00 25.00 O ATOM 0 H GLU A 636 5.991 -1.584 -3.764 1.00 25.00 H new ATOM 0 HA GLU A 636 7.940 -1.462 -1.600 1.00 25.00 H new ATOM 0 HB2 GLU A 636 5.999 -3.076 -1.764 1.00 25.00 H new ATOM 0 HB3 GLU A 636 6.761 -3.794 -3.169 1.00 25.00 H new ATOM 0 HG2 GLU A 636 8.271 -3.620 -0.562 1.00 25.00 H new ATOM 0 HG3 GLU A 636 7.070 -4.875 -0.798 1.00 25.00 H new ATOM 847 N GLY A 637 8.825 -2.236 -4.674 1.00 25.00 N ATOM 848 CA GLY A 637 9.975 -2.488 -5.540 1.00 25.00 C ATOM 849 C GLY A 637 10.765 -1.231 -5.886 1.00 25.00 C ATOM 850 O GLY A 637 11.931 -1.321 -6.281 1.00 25.00 O ATOM 0 H GLY A 637 7.941 -2.123 -5.170 1.00 25.00 H new ATOM 0 HA2 GLY A 637 10.639 -3.201 -5.051 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.629 -2.955 -6.462 1.00 25.00 H new ATOM 854 N ASP A 638 10.126 -0.064 -5.731 1.00 25.00 N ATOM 855 CA ASP A 638 10.757 1.228 -6.028 1.00 25.00 C ATOM 856 C ASP A 638 11.523 1.771 -4.806 1.00 25.00 C ATOM 857 O ASP A 638 12.395 2.634 -4.953 1.00 25.00 O ATOM 858 CB ASP A 638 9.686 2.233 -6.487 1.00 25.00 C ATOM 859 CG ASP A 638 9.233 2.014 -7.924 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.972 1.351 -8.684 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.144 2.504 -8.285 1.00 25.00 O ATOM 0 H ASP A 638 9.165 0.011 -5.399 1.00 25.00 H new ATOM 0 HA ASP A 638 11.481 1.084 -6.830 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.822 2.161 -5.826 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.080 3.244 -6.387 1.00 25.00 H new ATOM 866 N MET A 639 11.195 1.253 -3.610 1.00 25.00 N ATOM 867 CA MET A 639 11.804 1.723 -2.355 1.00 25.00 C ATOM 868 C MET A 639 13.207 1.148 -2.132 1.00 25.00 C ATOM 869 O MET A 639 13.999 1.711 -1.372 1.00 25.00 O ATOM 870 CB MET A 639 10.914 1.389 -1.165 1.00 25.00 C ATOM 871 CG MET A 639 9.660 2.218 -1.170 1.00 25.00 C ATOM 872 SD MET A 639 8.480 1.748 0.074 1.00 25.00 S ATOM 873 CE MET A 639 7.221 2.922 -0.364 1.00 25.00 C ATOM 0 H MET A 639 10.510 0.507 -3.487 1.00 25.00 H new ATOM 0 HA MET A 639 11.902 2.805 -2.443 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.653 0.331 -1.189 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.462 1.561 -0.239 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.928 3.265 -1.026 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.190 2.141 -2.150 1.00 25.00 H new ATOM 0 HE1 MET A 639 6.243 2.526 -0.091 1.00 25.00 H new ATOM 0 HE2 MET A 639 7.395 3.858 0.168 1.00 25.00 H new ATOM 0 HE3 MET A 639 7.251 3.104 -1.438 1.00 25.00 H new ATOM 883 N TYR A 640 13.508 0.026 -2.806 1.00 25.00 N ATOM 884 CA TYR A 640 14.812 -0.644 -2.694 1.00 25.00 C ATOM 885 C TYR A 640 15.907 0.148 -3.434 1.00 25.00 C ATOM 886 O TYR A 640 17.091 0.049 -3.095 1.00 25.00 O ATOM 887 CB TYR A 640 14.705 -2.074 -3.255 1.00 25.00 C ATOM 888 CG TYR A 640 15.445 -2.300 -4.564 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.836 -2.274 -4.618 1.00 25.00 C ATOM 890 CD2 TYR A 640 14.748 -2.538 -5.747 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.506 -2.477 -5.810 1.00 25.00 C ATOM 892 CE2 TYR A 640 15.414 -2.741 -6.941 1.00 25.00 C ATOM 893 CZ TYR A 640 16.805 -2.720 -6.956 1.00 25.00 C ATOM 894 OH TYR A 640 17.459 -2.916 -8.149 1.00 25.00 O ATOM 0 H TYR A 640 12.858 -0.439 -3.440 1.00 25.00 H new ATOM 0 HA TYR A 640 15.093 -0.691 -1.642 1.00 25.00 H new ATOM 0 HB2 TYR A 640 15.090 -2.771 -2.511 1.00 25.00 H new ATOM 0 HB3 TYR A 640 13.652 -2.314 -3.402 1.00 25.00 H new ATOM 0 HD1 TYR A 640 17.400 -2.093 -3.715 1.00 25.00 H new ATOM 0 HD2 TYR A 640 13.668 -2.564 -5.731 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.585 -2.443 -5.835 1.00 25.00 H new ATOM 0 HE2 TYR A 640 14.861 -2.914 -7.852 1.00 25.00 H new ATOM 0 HH TYR A 640 16.803 -3.077 -8.859 1.00 25.00 H new ATOM 904 N GLU A 641 15.490 0.932 -4.440 1.00 25.00 N ATOM 905 CA GLU A 641 16.404 1.780 -5.219 1.00 25.00 C ATOM 906 C GLU A 641 16.579 3.167 -4.582 1.00 25.00 C ATOM 907 O GLU A 641 17.594 3.833 -4.806 1.00 25.00 O ATOM 908 CB GLU A 641 15.892 1.935 -6.663 1.00 25.00 C ATOM 909 CG GLU A 641 15.892 0.649 -7.483 1.00 25.00 C ATOM 910 CD GLU A 641 17.196 0.407 -8.227 1.00 25.00 C ATOM 911 OE1 GLU A 641 17.141 0.043 -9.421 1.00 25.00 O ATOM 912 OE2 GLU A 641 18.270 0.585 -7.616 1.00 25.00 O ATOM 0 H GLU A 641 14.516 0.996 -4.735 1.00 25.00 H new ATOM 0 HA GLU A 641 17.376 1.287 -5.227 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.877 2.330 -6.633 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.507 2.675 -7.174 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.698 -0.195 -6.821 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.073 0.685 -8.202 1.00 25.00 H new ATOM 919 N SER A 642 15.584 3.589 -3.786 1.00 25.00 N ATOM 920 CA SER A 642 15.583 4.920 -3.164 1.00 25.00 C ATOM 921 C SER A 642 16.136 4.884 -1.730 1.00 25.00 C ATOM 922 O SER A 642 16.771 5.845 -1.287 1.00 25.00 O ATOM 923 CB SER A 642 14.161 5.499 -3.171 1.00 25.00 C ATOM 924 OG SER A 642 13.298 4.770 -2.311 1.00 25.00 O ATOM 0 H SER A 642 14.766 3.023 -3.558 1.00 25.00 H new ATOM 0 HA SER A 642 16.240 5.562 -3.751 1.00 25.00 H new ATOM 0 HB2 SER A 642 14.191 6.543 -2.859 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.765 5.481 -4.186 1.00 25.00 H new ATOM 0 HG SER A 642 12.401 5.164 -2.337 1.00 25.00 H new ATOM 930 N ALA A 643 15.890 3.775 -1.017 1.00 25.00 N ATOM 931 CA ALA A 643 16.346 3.616 0.368 1.00 25.00 C ATOM 932 C ALA A 643 17.728 2.959 0.432 1.00 25.00 C ATOM 933 O ALA A 643 18.059 2.108 -0.401 1.00 25.00 O ATOM 934 CB ALA A 643 15.340 2.794 1.163 1.00 25.00 C ATOM 0 H ALA A 643 15.375 2.973 -1.380 1.00 25.00 H new ATOM 0 HA ALA A 643 16.426 4.610 0.808 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.690 2.683 2.189 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.375 3.300 1.162 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.234 1.809 0.708 1.00 25.00 H new ATOM 940 N ASN A 644 18.527 3.366 1.427 1.00 25.00 N ATOM 941 CA ASN A 644 19.882 2.835 1.616 1.00 25.00 C ATOM 942 C ASN A 644 19.945 1.893 2.831 1.00 25.00 C ATOM 943 O ASN A 644 20.878 1.093 2.954 1.00 25.00 O ATOM 944 CB ASN A 644 20.877 3.997 1.790 1.00 25.00 C ATOM 945 CG ASN A 644 21.031 4.853 0.539 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.600 4.417 -0.460 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.531 6.085 0.601 1.00 25.00 N ATOM 0 H ASN A 644 18.255 4.066 2.117 1.00 25.00 H new ATOM 0 HA ASN A 644 20.152 2.258 0.731 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.547 4.628 2.615 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.851 3.593 2.068 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.612 6.709 -0.202 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.067 6.405 1.451 1.00 25.00 H new ATOM 954 N SER A 645 18.943 1.992 3.714 1.00 25.00 N ATOM 955 CA SER A 645 18.909 1.211 4.953 1.00 25.00 C ATOM 956 C SER A 645 17.541 0.552 5.140 1.00 25.00 C ATOM 957 O SER A 645 16.554 0.960 4.521 1.00 25.00 O ATOM 958 CB SER A 645 19.219 2.118 6.153 1.00 25.00 C ATOM 959 OG SER A 645 18.157 3.025 6.397 1.00 25.00 O ATOM 0 H SER A 645 18.141 2.610 3.590 1.00 25.00 H new ATOM 0 HA SER A 645 19.665 0.428 4.888 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.390 1.507 7.039 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.139 2.672 5.965 1.00 25.00 H new ATOM 0 HG SER A 645 18.379 3.589 7.167 1.00 25.00 H new ATOM 965 N ARG A 646 17.499 -0.477 6.004 1.00 25.00 N ATOM 966 CA ARG A 646 16.277 -1.255 6.261 1.00 25.00 C ATOM 967 C ARG A 646 15.258 -0.457 7.098 1.00 25.00 C ATOM 968 O ARG A 646 14.062 -0.760 7.075 1.00 25.00 O ATOM 969 CB ARG A 646 16.636 -2.569 6.975 1.00 25.00 C ATOM 970 CG ARG A 646 17.131 -2.390 8.412 1.00 25.00 C ATOM 971 CD ARG A 646 17.601 -3.705 9.025 1.00 25.00 C ATOM 972 NE ARG A 646 18.076 -3.542 10.407 1.00 25.00 N ATOM 973 CZ ARG A 646 17.287 -3.537 11.492 1.00 25.00 C ATOM 974 NH1 ARG A 646 15.967 -3.690 11.389 1.00 25.00 N ATOM 975 NH2 ARG A 646 17.828 -3.379 12.692 1.00 25.00 N ATOM 0 H ARG A 646 18.308 -0.791 6.541 1.00 25.00 H new ATOM 0 HA ARG A 646 15.812 -1.477 5.300 1.00 25.00 H new ATOM 0 HB2 ARG A 646 15.759 -3.216 6.983 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.406 -3.083 6.399 1.00 25.00 H new ATOM 0 HG2 ARG A 646 17.950 -1.671 8.426 1.00 25.00 H new ATOM 0 HG3 ARG A 646 16.330 -1.972 9.022 1.00 25.00 H new ATOM 0 HD2 ARG A 646 16.782 -4.424 9.008 1.00 25.00 H new ATOM 0 HD3 ARG A 646 18.403 -4.121 8.415 1.00 25.00 H new ATOM 0 HE ARG A 646 19.079 -3.424 10.551 1.00 25.00 H new ATOM 0 HH11 ARG A 646 15.538 -3.814 10.472 1.00 25.00 H new ATOM 0 HH12 ARG A 646 15.386 -3.683 12.227 1.00 25.00 H new ATOM 0 HH21 ARG A 646 18.837 -3.262 12.785 1.00 25.00 H new ATOM 0 HH22 ARG A 646 17.235 -3.374 13.522 1.00 25.00 H new ATOM 989 N ASP A 647 15.748 0.552 7.835 1.00 25.00 N ATOM 990 CA ASP A 647 14.894 1.393 8.683 1.00 25.00 C ATOM 991 C ASP A 647 14.190 2.485 7.857 1.00 25.00 C ATOM 992 O ASP A 647 13.104 2.937 8.226 1.00 25.00 O ATOM 993 CB ASP A 647 15.734 2.018 9.812 1.00 25.00 C ATOM 994 CG ASP A 647 16.192 1.005 10.851 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.628 -0.108 10.882 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.113 1.328 11.629 1.00 25.00 O ATOM 0 H ASP A 647 16.736 0.805 7.859 1.00 25.00 H new ATOM 0 HA ASP A 647 14.119 0.766 9.124 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.608 2.505 9.379 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.148 2.794 10.305 1.00 25.00 H new ATOM 1001 N GLU A 648 14.820 2.897 6.744 1.00 25.00 N ATOM 1002 CA GLU A 648 14.231 3.870 5.815 1.00 25.00 C ATOM 1003 C GLU A 648 13.325 3.152 4.804 1.00 25.00 C ATOM 1004 O GLU A 648 12.232 3.626 4.499 1.00 25.00 O ATOM 1005 CB GLU A 648 15.354 4.664 5.110 1.00 25.00 C ATOM 1006 CG GLU A 648 14.877 5.760 4.153 1.00 25.00 C ATOM 1007 CD GLU A 648 14.368 6.990 4.879 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.526 7.057 6.116 1.00 25.00 O ATOM 1009 OE2 GLU A 648 13.809 7.887 4.212 1.00 25.00 O ATOM 0 H GLU A 648 15.744 2.567 6.466 1.00 25.00 H new ATOM 0 HA GLU A 648 13.614 4.578 6.368 1.00 25.00 H new ATOM 0 HB2 GLU A 648 15.988 5.119 5.871 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.977 3.964 4.553 1.00 25.00 H new ATOM 0 HG2 GLU A 648 15.698 6.045 3.495 1.00 25.00 H new ATOM 0 HG3 GLU A 648 14.084 5.363 3.519 1.00 25.00 H new ATOM 1016 N TYR A 649 13.792 1.995 4.312 1.00 25.00 N ATOM 1017 CA TYR A 649 13.029 1.142 3.388 1.00 25.00 C ATOM 1018 C TYR A 649 11.658 0.753 3.984 1.00 25.00 C ATOM 1019 O TYR A 649 10.627 0.877 3.317 1.00 25.00 O ATOM 1020 CB TYR A 649 13.892 -0.099 3.047 1.00 25.00 C ATOM 1021 CG TYR A 649 13.255 -1.128 2.128 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.060 -0.878 0.778 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.857 -2.359 2.632 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.485 -1.828 -0.044 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.282 -3.309 1.823 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.080 -3.036 0.485 1.00 25.00 C ATOM 1027 OH TYR A 649 11.510 -4.078 -0.220 1.00 25.00 O ATOM 0 H TYR A 649 14.713 1.623 4.544 1.00 25.00 H new ATOM 0 HA TYR A 649 12.812 1.688 2.470 1.00 25.00 H new ATOM 0 HB2 TYR A 649 14.819 0.244 2.587 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.164 -0.594 3.979 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.362 0.072 0.363 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.002 -2.574 3.680 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.353 -1.626 -1.097 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.989 -4.265 2.232 1.00 25.00 H new ATOM 0 HH TYR A 649 10.687 -3.768 -0.653 1.00 25.00 H new ATOM 1037 N TYR A 650 11.675 0.284 5.239 1.00 25.00 N ATOM 1038 CA TYR A 650 10.453 -0.086 5.961 1.00 25.00 C ATOM 1039 C TYR A 650 9.641 1.140 6.436 1.00 25.00 C ATOM 1040 O TYR A 650 8.459 1.003 6.767 1.00 25.00 O ATOM 1041 CB TYR A 650 10.815 -0.981 7.160 1.00 25.00 C ATOM 1042 CG TYR A 650 11.392 -2.331 6.773 1.00 25.00 C ATOM 1043 CD1 TYR A 650 11.114 -2.898 5.532 1.00 25.00 C ATOM 1044 CD2 TYR A 650 12.202 -3.044 7.649 1.00 25.00 C ATOM 1045 CE1 TYR A 650 11.624 -4.126 5.177 1.00 25.00 C ATOM 1046 CE2 TYR A 650 12.723 -4.276 7.297 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.430 -4.813 6.060 1.00 25.00 C ATOM 1048 OH TYR A 650 12.942 -6.040 5.707 1.00 25.00 O ATOM 0 H TYR A 650 12.531 0.152 5.778 1.00 25.00 H new ATOM 0 HA TYR A 650 9.816 -0.631 5.264 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.536 -0.456 7.787 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.922 -1.139 7.764 1.00 25.00 H new ATOM 0 HD1 TYR A 650 10.486 -2.364 4.834 1.00 25.00 H new ATOM 0 HD2 TYR A 650 12.428 -2.629 8.620 1.00 25.00 H new ATOM 0 HE1 TYR A 650 11.394 -4.550 4.211 1.00 25.00 H new ATOM 0 HE2 TYR A 650 13.356 -4.815 7.987 1.00 25.00 H new ATOM 0 HH TYR A 650 13.490 -6.389 6.441 1.00 25.00 H new ATOM 1058 N HIS A 651 10.272 2.327 6.461 1.00 25.00 N ATOM 1059 CA HIS A 651 9.599 3.566 6.899 1.00 25.00 C ATOM 1060 C HIS A 651 8.820 4.214 5.747 1.00 25.00 C ATOM 1061 O HIS A 651 7.736 4.762 5.958 1.00 25.00 O ATOM 1062 CB HIS A 651 10.627 4.556 7.478 1.00 25.00 C ATOM 1063 CG HIS A 651 10.029 5.827 8.022 1.00 25.00 C ATOM 1064 ND1 HIS A 651 10.221 7.060 7.434 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.250 6.053 9.113 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.591 7.986 8.136 1.00 25.00 C ATOM 1067 NE2 HIS A 651 8.994 7.401 9.158 1.00 25.00 N ATOM 0 H HIS A 651 11.245 2.456 6.184 1.00 25.00 H new ATOM 0 HA HIS A 651 8.884 3.304 7.679 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.182 4.060 8.274 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.346 4.811 6.699 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.898 5.310 9.814 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.568 9.042 7.912 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.433 7.874 9.867 1.00 25.00 H new ATOM 1076 N LEU A 652 9.393 4.148 4.538 1.00 25.00 N ATOM 1077 CA LEU A 652 8.765 4.655 3.313 1.00 25.00 C ATOM 1078 C LEU A 652 7.429 3.959 3.009 1.00 25.00 C ATOM 1079 O LEU A 652 6.467 4.607 2.593 1.00 25.00 O ATOM 1080 CB LEU A 652 9.741 4.465 2.157 1.00 25.00 C ATOM 1081 CG LEU A 652 10.988 5.371 2.116 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.936 5.042 0.967 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.535 6.810 2.003 1.00 25.00 C ATOM 0 H LEU A 652 10.314 3.737 4.382 1.00 25.00 H new ATOM 0 HA LEU A 652 8.537 5.712 3.451 1.00 25.00 H new ATOM 0 HB2 LEU A 652 10.079 3.429 2.171 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.191 4.609 1.227 1.00 25.00 H new ATOM 0 HG LEU A 652 11.547 5.201 3.036 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.792 5.717 0.997 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.282 4.013 1.064 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.413 5.161 0.018 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.406 7.464 1.973 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.953 6.938 1.090 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.919 7.066 2.865 1.00 25.00 H new ATOM 1095 N LEU A 653 7.394 2.632 3.211 1.00 25.00 N ATOM 1096 CA LEU A 653 6.158 1.836 3.068 1.00 25.00 C ATOM 1097 C LEU A 653 5.162 2.094 4.212 1.00 25.00 C ATOM 1098 O LEU A 653 3.947 2.052 3.998 1.00 25.00 O ATOM 1099 CB LEU A 653 6.480 0.334 3.017 1.00 25.00 C ATOM 1100 CG LEU A 653 6.688 -0.280 1.624 1.00 25.00 C ATOM 1101 CD1 LEU A 653 8.010 -1.002 1.577 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.569 -1.244 1.249 1.00 25.00 C ATOM 0 H LEU A 653 8.212 2.082 3.476 1.00 25.00 H new ATOM 0 HA LEU A 653 5.695 2.150 2.132 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.382 0.159 3.604 1.00 25.00 H new ATOM 0 HB3 LEU A 653 5.670 -0.205 3.509 1.00 25.00 H new ATOM 0 HG LEU A 653 6.679 0.537 0.902 1.00 25.00 H new ATOM 0 HD11 LEU A 653 8.153 -1.436 0.587 1.00 25.00 H new ATOM 0 HD12 LEU A 653 8.816 -0.299 1.785 1.00 25.00 H new ATOM 0 HD13 LEU A 653 8.018 -1.795 2.325 1.00 25.00 H new ATOM 0 HD21 LEU A 653 5.759 -1.653 0.257 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.530 -2.056 1.975 1.00 25.00 H new ATOM 0 HD23 LEU A 653 4.617 -0.713 1.247 1.00 25.00 H new ATOM 1114 N ALA A 654 5.688 2.363 5.420 1.00 25.00 N ATOM 1115 CA ALA A 654 4.856 2.593 6.613 1.00 25.00 C ATOM 1116 C ALA A 654 4.218 3.986 6.614 1.00 25.00 C ATOM 1117 O ALA A 654 3.132 4.170 7.170 1.00 25.00 O ATOM 1118 CB ALA A 654 5.681 2.398 7.876 1.00 25.00 C ATOM 0 H ALA A 654 6.691 2.427 5.596 1.00 25.00 H new ATOM 0 HA ALA A 654 4.048 1.862 6.589 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.054 2.571 8.751 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.069 1.380 7.903 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.512 3.103 7.880 1.00 25.00 H new ATOM 1124 N GLU A 655 4.899 4.962 5.991 1.00 25.00 N ATOM 1125 CA GLU A 655 4.387 6.339 5.911 1.00 25.00 C ATOM 1126 C GLU A 655 3.285 6.489 4.850 1.00 25.00 C ATOM 1127 O GLU A 655 2.449 7.385 4.961 1.00 25.00 O ATOM 1128 CB GLU A 655 5.529 7.355 5.683 1.00 25.00 C ATOM 1129 CG GLU A 655 5.096 8.818 5.639 1.00 25.00 C ATOM 1130 CD GLU A 655 6.267 9.770 5.491 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.425 9.301 5.542 1.00 25.00 O ATOM 1132 OE2 GLU A 655 6.028 10.984 5.321 1.00 25.00 O ATOM 0 H GLU A 655 5.802 4.823 5.537 1.00 25.00 H new ATOM 0 HA GLU A 655 3.931 6.562 6.876 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.266 7.234 6.477 1.00 25.00 H new ATOM 0 HB3 GLU A 655 6.029 7.112 4.745 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.407 8.964 4.807 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.550 9.059 6.551 1.00 25.00 H new ATOM 1139 N LYS A 656 3.285 5.608 3.830 1.00 25.00 N ATOM 1140 CA LYS A 656 2.152 5.520 2.888 1.00 25.00 C ATOM 1141 C LYS A 656 0.961 4.880 3.596 1.00 25.00 C ATOM 1142 O LYS A 656 -0.192 5.209 3.323 1.00 25.00 O ATOM 1143 CB LYS A 656 2.478 4.672 1.642 1.00 25.00 C ATOM 1144 CG LYS A 656 1.390 4.597 0.566 1.00 25.00 C ATOM 1145 CD LYS A 656 1.178 5.934 -0.140 1.00 25.00 C ATOM 1146 CE LYS A 656 0.181 5.808 -1.282 1.00 25.00 C ATOM 1147 NZ LYS A 656 -0.069 7.116 -1.947 1.00 25.00 N ATOM 0 H LYS A 656 4.046 4.956 3.639 1.00 25.00 H new ATOM 0 HA LYS A 656 1.930 6.535 2.560 1.00 25.00 H new ATOM 0 HB2 LYS A 656 3.384 5.070 1.185 1.00 25.00 H new ATOM 0 HB3 LYS A 656 2.706 3.657 1.969 1.00 25.00 H new ATOM 0 HG2 LYS A 656 1.661 3.840 -0.169 1.00 25.00 H new ATOM 0 HG3 LYS A 656 0.453 4.277 1.022 1.00 25.00 H new ATOM 0 HD2 LYS A 656 0.820 6.673 0.577 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.130 6.299 -0.525 1.00 25.00 H new ATOM 0 HE2 LYS A 656 0.557 5.094 -2.015 1.00 25.00 H new ATOM 0 HE3 LYS A 656 -0.759 5.409 -0.901 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 -0.754 6.988 -2.719 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 -0.452 7.790 -1.254 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 0.823 7.485 -2.333 1.00 25.00 H new ATOM 1161 N ILE A 657 1.287 3.988 4.545 1.00 25.00 N ATOM 1162 CA ILE A 657 0.302 3.216 5.302 1.00 25.00 C ATOM 1163 C ILE A 657 -0.534 4.128 6.222 1.00 25.00 C ATOM 1164 O ILE A 657 -1.731 3.905 6.382 1.00 25.00 O ATOM 1165 CB ILE A 657 1.033 2.052 6.076 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.177 0.833 5.126 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.347 1.662 7.400 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.972 -0.353 5.673 1.00 25.00 C ATOM 0 H ILE A 657 2.252 3.784 4.807 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.412 2.758 4.618 1.00 25.00 H new ATOM 0 HB ILE A 657 2.018 2.415 6.370 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.179 0.484 4.861 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.652 1.170 4.205 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.906 0.856 7.876 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.320 2.526 8.064 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.671 1.328 7.198 1.00 25.00 H new ATOM 0 HD11 ILE A 657 2.007 -1.144 4.924 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.987 -0.033 5.910 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.490 -0.729 6.576 1.00 25.00 H new ATOM 1180 N TYR A 658 0.109 5.159 6.787 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.552 6.102 7.701 1.00 25.00 C ATOM 1182 C TYR A 658 -1.343 7.170 6.925 1.00 25.00 C ATOM 1183 O TYR A 658 -2.337 7.699 7.428 1.00 25.00 O ATOM 1184 CB TYR A 658 0.504 6.765 8.596 1.00 25.00 C ATOM 1185 CG TYR A 658 1.267 5.808 9.500 1.00 25.00 C ATOM 1186 CD1 TYR A 658 0.784 4.531 9.765 1.00 25.00 C ATOM 1187 CD2 TYR A 658 2.468 6.190 10.090 1.00 25.00 C ATOM 1188 CE1 TYR A 658 1.476 3.663 10.590 1.00 25.00 C ATOM 1189 CE2 TYR A 658 3.165 5.326 10.914 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.663 4.054 11.149 1.00 25.00 C ATOM 1191 OH TYR A 658 3.355 3.203 11.981 1.00 25.00 O ATOM 0 H TYR A 658 1.095 5.363 6.625 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.261 5.551 8.318 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.218 7.291 7.963 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.014 7.516 9.216 1.00 25.00 H new ATOM 0 HD1 TYR A 658 -0.147 4.212 9.319 1.00 25.00 H new ATOM 0 HD2 TYR A 658 2.862 7.178 9.901 1.00 25.00 H new ATOM 0 HE1 TYR A 658 1.081 2.679 10.793 1.00 25.00 H new ATOM 0 HE2 TYR A 658 4.092 5.638 11.371 1.00 25.00 H new ATOM 0 HH TYR A 658 4.176 3.641 12.288 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.883 7.480 5.702 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.576 8.437 4.814 1.00 25.00 C ATOM 1203 C LYS A 659 -2.808 7.801 4.172 1.00 25.00 C ATOM 1204 O LYS A 659 -3.728 8.504 3.740 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.638 8.972 3.718 1.00 25.00 C ATOM 1206 CG LYS A 659 0.515 9.858 4.217 1.00 25.00 C ATOM 1207 CD LYS A 659 1.418 10.411 3.099 1.00 25.00 C ATOM 1208 CE LYS A 659 2.535 11.306 3.619 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.387 11.849 2.522 1.00 25.00 N ATOM 0 H LYS A 659 -0.033 7.083 5.302 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.894 9.274 5.436 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.216 8.124 3.178 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -1.230 9.543 3.003 1.00 25.00 H new ATOM 0 HG2 LYS A 659 0.098 10.694 4.779 1.00 25.00 H new ATOM 0 HG3 LYS A 659 1.127 9.281 4.911 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.855 9.578 2.548 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.808 10.975 2.393 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.102 12.133 4.182 1.00 25.00 H new ATOM 0 HE3 LYS A 659 3.157 10.740 4.312 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.132 12.451 2.927 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 3.823 11.063 2.000 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 2.801 12.412 1.873 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.812 6.462 4.118 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.967 5.694 3.660 1.00 25.00 C ATOM 1225 C ILE A 660 -4.964 5.565 4.826 1.00 25.00 C ATOM 1226 O ILE A 660 -6.159 5.346 4.624 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.515 4.295 3.116 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.813 4.468 1.750 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.700 3.327 2.993 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.133 3.215 1.213 1.00 25.00 C ATOM 0 H ILE A 660 -2.015 5.887 4.391 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.459 6.208 2.834 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.814 3.863 3.830 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.549 4.805 1.020 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.067 5.258 1.839 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.348 2.368 2.613 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.156 3.184 3.973 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.438 3.741 2.306 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.669 3.436 0.252 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.369 2.886 1.917 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.874 2.425 1.086 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.434 5.714 6.044 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.226 5.694 7.266 1.00 25.00 C ATOM 1244 C GLN A 661 -6.059 6.968 7.439 1.00 25.00 C ATOM 1245 O GLN A 661 -7.201 6.918 7.897 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.313 5.492 8.467 1.00 25.00 C ATOM 1247 CG GLN A 661 -3.951 4.034 8.690 1.00 25.00 C ATOM 1248 CD GLN A 661 -2.954 3.792 9.809 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.441 4.723 10.430 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -2.681 2.513 10.054 1.00 25.00 N ATOM 0 H GLN A 661 -3.436 5.852 6.205 1.00 25.00 H new ATOM 0 HA GLN A 661 -5.926 4.862 7.193 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.400 6.071 8.326 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -4.803 5.881 9.360 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -4.862 3.477 8.907 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.543 3.629 7.764 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.136 1.781 9.508 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.017 2.265 10.788 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.458 8.107 7.052 1.00 25.00 N ATOM 1260 CA LYS A 662 -6.098 9.435 7.129 1.00 25.00 C ATOM 1261 C LYS A 662 -7.328 9.555 6.218 1.00 25.00 C ATOM 1262 O LYS A 662 -8.336 10.152 6.606 1.00 25.00 O ATOM 1263 CB LYS A 662 -5.096 10.538 6.749 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.610 11.988 6.853 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.562 13.053 6.503 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.248 13.082 5.025 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.418 13.495 4.201 1.00 25.00 N ATOM 0 H LYS A 662 -4.511 8.134 6.675 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.426 9.556 8.161 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -4.218 10.439 7.388 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.766 10.364 5.725 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.467 12.106 6.190 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.965 12.164 7.868 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -4.924 14.033 6.815 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.647 12.858 7.063 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -3.421 13.769 4.846 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.915 12.094 4.708 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.095 13.761 3.249 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -6.090 12.704 4.131 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -5.887 14.309 4.647 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.230 8.986 5.008 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.279 9.088 3.989 1.00 25.00 C ATOM 1283 C GLU A 663 -9.538 8.282 4.357 1.00 25.00 C ATOM 1284 O GLU A 663 -10.658 8.741 4.136 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.705 8.664 2.625 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.496 9.455 2.131 1.00 25.00 C ATOM 1287 CD GLU A 663 -5.559 8.621 1.281 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -5.921 7.473 0.944 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -4.462 9.117 0.949 1.00 25.00 O ATOM 0 H GLU A 663 -6.420 8.442 4.710 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.603 10.127 3.931 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.427 7.612 2.682 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.496 8.745 1.880 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -6.840 10.312 1.552 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -5.949 9.848 2.988 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.332 7.079 4.906 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.429 6.247 5.443 1.00 25.00 C ATOM 1298 C LEU A 664 -11.138 6.891 6.653 1.00 25.00 C ATOM 1299 O LEU A 664 -12.256 6.500 6.993 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.920 4.843 5.854 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.434 3.880 4.735 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -8.796 2.617 5.308 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.556 3.513 3.778 1.00 25.00 C ATOM 0 H LEU A 664 -8.410 6.652 4.993 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.152 6.160 4.632 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.097 4.980 6.556 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.723 4.344 6.397 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.672 4.421 4.174 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.470 1.972 4.492 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -7.936 2.889 5.921 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.525 2.087 5.921 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.174 2.839 3.011 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.357 3.020 4.329 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.942 4.417 3.307 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.483 7.868 7.299 1.00 25.00 N ATOM 1316 CA GLU A 665 -11.021 8.514 8.512 1.00 25.00 C ATOM 1317 C GLU A 665 -12.181 9.485 8.220 1.00 25.00 C ATOM 1318 O GLU A 665 -12.924 9.847 9.139 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.913 9.242 9.279 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.192 8.369 10.297 1.00 25.00 C ATOM 1321 CD GLU A 665 -9.869 8.374 11.655 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -10.303 9.458 12.097 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -9.963 7.295 12.276 1.00 25.00 O ATOM 0 H GLU A 665 -9.577 8.231 7.002 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.425 7.710 9.127 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -9.185 9.629 8.566 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -10.344 10.101 9.792 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.144 7.346 9.923 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.165 8.717 10.406 1.00 25.00 H new ATOM 1694 N SER B 536 -9.175 8.981 -3.852 1.00 25.00 N ATOM 1695 CA SER B 536 -10.414 8.928 -4.634 1.00 25.00 C ATOM 1696 C SER B 536 -10.723 7.501 -5.091 1.00 25.00 C ATOM 1697 O SER B 536 -11.887 7.133 -5.267 1.00 25.00 O ATOM 1698 CB SER B 536 -10.301 9.858 -5.849 1.00 25.00 C ATOM 1699 OG SER B 536 -9.300 9.414 -6.753 1.00 25.00 O ATOM 0 HA SER B 536 -11.234 9.260 -3.997 1.00 25.00 H new ATOM 0 HB2 SER B 536 -11.261 9.906 -6.363 1.00 25.00 H new ATOM 0 HB3 SER B 536 -10.068 10.869 -5.514 1.00 25.00 H new ATOM 0 HG SER B 536 -8.582 8.972 -6.254 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.661 6.709 -5.276 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.774 5.328 -5.761 1.00 25.00 C ATOM 1707 C ILE B 537 -10.014 4.342 -4.603 1.00 25.00 C ATOM 1708 O ILE B 537 -10.664 3.310 -4.797 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.499 4.910 -6.583 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.274 5.835 -7.818 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.540 3.434 -7.021 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.924 5.702 -8.529 1.00 25.00 C ATOM 0 H ILE B 537 -8.702 7.005 -5.095 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.639 5.287 -6.423 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.653 5.032 -5.906 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.063 5.636 -8.543 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.391 6.870 -7.496 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.638 3.197 -7.585 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.597 2.795 -6.140 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.415 3.265 -7.649 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.886 6.395 -9.370 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.120 5.935 -7.830 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.804 4.682 -8.893 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.499 4.667 -3.411 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.592 3.763 -2.260 1.00 25.00 C ATOM 1726 C ALA B 538 -10.939 3.847 -1.541 1.00 25.00 C ATOM 1727 O ALA B 538 -11.255 3.007 -0.692 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.446 4.011 -1.292 1.00 25.00 C ATOM 0 H ALA B 538 -9.016 5.545 -3.219 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.515 2.749 -2.651 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.532 3.331 -0.444 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.497 3.839 -1.800 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.486 5.041 -0.937 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.718 4.859 -1.897 1.00 25.00 N ATOM 1735 CA ASP B 539 -13.076 5.033 -1.372 1.00 25.00 C ATOM 1736 C ASP B 539 -14.102 4.541 -2.405 1.00 25.00 C ATOM 1737 O ASP B 539 -15.292 4.398 -2.103 1.00 25.00 O ATOM 1738 CB ASP B 539 -13.313 6.507 -0.991 1.00 25.00 C ATOM 1739 CG ASP B 539 -12.524 6.949 0.233 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.937 6.077 0.907 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -12.495 8.165 0.513 1.00 25.00 O ATOM 0 H ASP B 539 -11.433 5.584 -2.556 1.00 25.00 H new ATOM 0 HA ASP B 539 -13.197 4.435 -0.468 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -13.044 7.141 -1.836 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -14.376 6.660 -0.804 1.00 25.00 H new ATOM 1746 N MET B 540 -13.610 4.283 -3.621 1.00 25.00 N ATOM 1747 CA MET B 540 -14.400 3.685 -4.698 1.00 25.00 C ATOM 1748 C MET B 540 -14.226 2.164 -4.718 1.00 25.00 C ATOM 1749 O MET B 540 -15.129 1.432 -5.134 1.00 25.00 O ATOM 1750 CB MET B 540 -13.968 4.268 -6.045 1.00 25.00 C ATOM 1751 CG MET B 540 -14.474 5.684 -6.302 1.00 25.00 C ATOM 1752 SD MET B 540 -16.252 5.764 -6.636 1.00 25.00 S ATOM 1753 CE MET B 540 -16.366 5.032 -8.271 1.00 25.00 C ATOM 0 H MET B 540 -12.646 4.485 -3.886 1.00 25.00 H new ATOM 0 HA MET B 540 -15.451 3.914 -4.521 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.879 4.268 -6.096 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.325 3.616 -6.842 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.246 6.306 -5.436 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.934 6.107 -7.149 1.00 25.00 H new ATOM 0 HE1 MET B 540 -17.360 5.211 -8.681 1.00 25.00 H new ATOM 0 HE2 MET B 540 -15.617 5.481 -8.924 1.00 25.00 H new ATOM 0 HE3 MET B 540 -16.190 3.959 -8.202 1.00 25.00 H new ATOM 1763 N ASP B 541 -13.054 1.710 -4.258 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.707 0.287 -4.236 1.00 25.00 C ATOM 1765 C ASP B 541 -13.095 -0.374 -2.900 1.00 25.00 C ATOM 1766 O ASP B 541 -13.220 -1.601 -2.833 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.205 0.120 -4.505 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.856 0.095 -5.985 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.554 -0.605 -6.747 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.886 0.776 -6.377 1.00 25.00 O ATOM 0 H ASP B 541 -12.322 2.319 -3.892 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.274 -0.215 -5.020 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.665 0.936 -4.026 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.861 -0.805 -4.042 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.291 0.440 -1.844 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.655 -0.079 -0.514 1.00 25.00 C ATOM 1777 C PHE B 542 -15.129 -0.521 -0.475 1.00 25.00 C ATOM 1778 O PHE B 542 -15.498 -1.403 0.307 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.389 0.992 0.557 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.576 0.526 1.981 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.536 -0.072 2.680 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.802 0.676 2.613 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.717 -0.509 3.979 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.985 0.242 3.912 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.942 -0.351 4.596 1.00 25.00 C ATOM 0 H PHE B 542 -13.203 1.455 -1.887 1.00 25.00 H new ATOM 0 HA PHE B 542 -13.038 -0.953 -0.306 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.368 1.356 0.440 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -14.052 1.838 0.377 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.575 -0.197 2.204 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.623 1.137 2.084 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.900 -0.974 4.511 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.944 0.367 4.393 1.00 25.00 H new ATOM 0 HZ PHE B 542 -14.084 -0.690 5.611 1.00 25.00 H new ATOM 1795 N SER B 543 -15.959 0.102 -1.329 1.00 25.00 N ATOM 1796 CA SER B 543 -17.385 -0.236 -1.444 1.00 25.00 C ATOM 1797 C SER B 543 -17.599 -1.468 -2.340 1.00 25.00 C ATOM 1798 O SER B 543 -18.611 -2.164 -2.212 1.00 25.00 O ATOM 1799 CB SER B 543 -18.161 0.963 -2.001 1.00 25.00 C ATOM 1800 OG SER B 543 -17.821 1.215 -3.355 1.00 25.00 O ATOM 0 H SER B 543 -15.661 0.850 -1.955 1.00 25.00 H new ATOM 0 HA SER B 543 -17.758 -0.478 -0.449 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.232 0.774 -1.922 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.948 1.847 -1.400 1.00 25.00 H new ATOM 0 HG SER B 543 -18.333 1.984 -3.683 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.635 -1.725 -3.241 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.672 -2.896 -4.127 1.00 25.00 C ATOM 1808 C ALA B 544 -16.203 -4.163 -3.400 1.00 25.00 C ATOM 1809 O ALA B 544 -16.623 -5.273 -3.735 1.00 25.00 O ATOM 1810 CB ALA B 544 -15.821 -2.645 -5.365 1.00 25.00 C ATOM 0 H ALA B 544 -15.816 -1.131 -3.373 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.706 -3.054 -4.434 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -15.856 -3.520 -6.014 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.207 -1.779 -5.902 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.790 -2.457 -5.066 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.328 -3.973 -2.400 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.864 -5.051 -1.526 1.00 25.00 C ATOM 1818 C LEU B 545 -15.848 -5.292 -0.374 1.00 25.00 C ATOM 1819 O LEU B 545 -15.856 -6.365 0.235 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.487 -4.693 -0.968 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.355 -4.581 -2.001 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.066 -4.127 -1.340 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.124 -5.916 -2.709 1.00 25.00 C ATOM 0 H LEU B 545 -14.924 -3.063 -2.178 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.799 -5.969 -2.111 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.566 -3.743 -0.439 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.208 -5.446 -0.231 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.657 -3.839 -2.740 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.278 -4.055 -2.090 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.218 -3.151 -0.878 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.775 -4.848 -0.577 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.318 -5.808 -3.435 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.853 -6.675 -1.975 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -13.037 -6.218 -3.223 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.677 -4.273 -0.095 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.719 -4.348 0.937 1.00 25.00 C ATOM 1837 C LEU B 546 -18.923 -5.163 0.436 1.00 25.00 C ATOM 1838 O LEU B 546 -19.641 -5.781 1.227 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.140 -2.915 1.337 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.422 -2.277 2.536 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.037 -0.933 2.895 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.459 -3.212 3.735 1.00 25.00 C ATOM 0 H LEU B 546 -16.642 -3.376 -0.579 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.325 -4.859 1.815 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -17.994 -2.267 0.473 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.209 -2.925 1.551 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.383 -2.107 2.253 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.508 -0.507 3.747 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -17.958 -0.257 2.043 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.087 -1.071 3.152 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.946 -2.746 4.576 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.495 -3.413 4.008 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.962 -4.149 3.482 1.00 25.00 H new ATOM 1854 N SER B 547 -19.126 -5.140 -0.886 1.00 25.00 N ATOM 1855 CA SER B 547 -20.169 -5.929 -1.553 1.00 25.00 C ATOM 1856 C SER B 547 -19.778 -7.413 -1.678 1.00 25.00 C ATOM 1857 O SER B 547 -20.633 -8.265 -1.939 1.00 25.00 O ATOM 1858 CB SER B 547 -20.459 -5.349 -2.942 1.00 25.00 C ATOM 1859 OG SER B 547 -19.327 -5.458 -3.788 1.00 25.00 O ATOM 0 H SER B 547 -18.570 -4.572 -1.526 1.00 25.00 H new ATOM 0 HA SER B 547 -21.066 -5.873 -0.936 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.303 -5.874 -3.390 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.748 -4.302 -2.849 1.00 25.00 H new ATOM 0 HG SER B 547 -18.510 -5.420 -3.248 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.479 -7.708 -1.486 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.938 -9.072 -1.646 1.00 25.00 C ATOM 1867 C GLN B 548 -18.365 -10.025 -0.520 1.00 25.00 C ATOM 1868 O GLN B 548 -18.227 -11.247 -0.647 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.405 -9.034 -1.733 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.853 -8.303 -2.959 1.00 25.00 C ATOM 1871 CD GLN B 548 -16.402 -8.825 -4.280 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -16.405 -10.029 -4.531 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -16.864 -7.915 -5.132 1.00 25.00 N ATOM 0 H GLN B 548 -17.780 -7.015 -1.218 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.356 -9.460 -2.575 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.015 -8.555 -0.835 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -16.029 -10.057 -1.737 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -16.085 -7.241 -2.873 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -14.767 -8.393 -2.966 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -16.843 -6.926 -4.883 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -17.240 -8.206 -6.034 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.888 -9.457 0.567 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.315 -10.242 1.738 1.00 25.00 C ATOM 1884 C ILE B 549 -20.844 -10.366 1.828 1.00 25.00 C ATOM 1885 O ILE B 549 -21.358 -11.346 2.376 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.751 -9.673 3.078 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -19.222 -8.218 3.332 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -17.222 -9.767 3.072 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -18.963 -7.704 4.741 1.00 25.00 C ATOM 0 H ILE B 549 -19.029 -8.452 0.666 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.896 -11.237 1.589 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.142 -10.275 3.898 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -18.722 -7.559 2.622 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -20.291 -8.155 3.127 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -16.829 -9.369 4.008 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -16.922 -10.810 2.966 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -16.825 -9.189 2.237 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -19.325 -6.679 4.827 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -19.486 -8.335 5.460 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -17.893 -7.729 4.947 1.00 25.00 H new ATOM 1901 N SER B 550 -21.559 -9.370 1.286 1.00 25.00 N ATOM 1902 CA SER B 550 -23.026 -9.352 1.313 1.00 25.00 C ATOM 1903 C SER B 550 -23.625 -9.906 0.013 1.00 25.00 C ATOM 1904 O SER B 550 -24.668 -10.566 0.038 1.00 25.00 O ATOM 1905 CB SER B 550 -23.537 -7.926 1.567 1.00 25.00 C ATOM 1906 OG SER B 550 -23.206 -7.057 0.494 1.00 25.00 O ATOM 0 H SER B 550 -21.141 -8.563 0.822 1.00 25.00 H new ATOM 0 HA SER B 550 -23.349 -9.999 2.129 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.618 -7.944 1.702 1.00 25.00 H new ATOM 0 HB3 SER B 550 -23.107 -7.543 2.493 1.00 25.00 H new ATOM 0 HG SER B 550 -23.546 -6.158 0.684 1.00 25.00 H new ATOM 1912 N SER B 551 -22.954 -9.632 -1.115 1.00 25.00 N ATOM 1913 CA SER B 551 -23.403 -10.097 -2.428 1.00 25.00 C ATOM 1914 C SER B 551 -22.442 -11.146 -2.994 1.00 25.00 C ATOM 1915 O SER B 551 -22.790 -12.345 -2.949 1.00 25.00 O ATOM 1916 CB SER B 551 -23.545 -8.914 -3.397 1.00 25.00 C ATOM 1917 OG SER B 551 -22.276 -8.408 -3.776 1.00 25.00 O ATOM 1918 OXT SER B 551 -21.345 -10.767 -3.462 1.00 25.00 O ATOM 0 H SER B 551 -22.093 -9.086 -1.140 1.00 25.00 H new ATOM 0 HA SER B 551 -24.380 -10.565 -2.308 1.00 25.00 H new ATOM 0 HB2 SER B 551 -24.093 -9.231 -4.284 1.00 25.00 H new ATOM 0 HB3 SER B 551 -24.129 -8.123 -2.927 1.00 25.00 H new ATOM 0 HG SER B 551 -21.582 -8.812 -3.214 1.00 25.00 H new