USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 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 683 ASN : amide:sc= -1.6! C(o=-0.36!,f=-0.4!) USER MOD Set 1.2: A 687 TYR OH : rot -36:sc= 1.24 USER MOD Set 2.1: A 674 ASN :FLIP amide:sc= -1.9 F(o=-5.3,f=-3.3) USER MOD Set 2.2: A 693 SER OG : rot 77:sc= -1.4 USER MOD Single : A 617 ASN : amide:sc= -2.43 K(o=-2.4,f=-3.1!) USER MOD Single : A 618 LYS NZ :NH3+ -148:sc= -2.61 (180deg=-5.24!) USER MOD Single : A 633 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.685) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 651 LYS NZ :NH3+ 140:sc= -0.422 (180deg=-2.1!) USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 656 SER OG : rot -76:sc= -0.182 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 676 LYS NZ :NH3+ -142:sc= -0.216 (180deg=-1.32) USER MOD Single : A 682 THR OG1 : rot 180:sc= -0.463! USER MOD Single : A 688 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 698 GLN :FLIP amide:sc= -0.617 F(o=-1.7,f=-0.62) USER MOD Single : A 704 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.186 9.551 -2.492 1.00 0.00 N ATOM 248 CA GLY A 612 174.830 9.049 -2.366 1.00 0.00 C ATOM 249 C GLY A 612 174.652 8.162 -1.150 1.00 0.00 C ATOM 250 O GLY A 612 175.630 7.673 -0.588 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.139 9.890 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.569 8.488 -3.263 1.00 0.00 H new ATOM 254 N ARG A 613 173.405 7.949 -0.746 1.00 0.00 N ATOM 255 CA ARG A 613 173.112 7.107 0.410 1.00 0.00 C ATOM 256 C ARG A 613 172.300 5.887 -0.004 1.00 0.00 C ATOM 257 O ARG A 613 171.250 6.016 -0.634 1.00 0.00 O ATOM 258 CB ARG A 613 172.351 7.902 1.476 1.00 0.00 C ATOM 259 CG ARG A 613 172.880 9.312 1.684 1.00 0.00 C ATOM 260 CD ARG A 613 173.539 9.470 3.045 1.00 0.00 C ATOM 261 NE ARG A 613 173.336 10.806 3.601 1.00 0.00 N ATOM 262 CZ ARG A 613 174.077 11.323 4.578 1.00 0.00 C ATOM 263 NH1 ARG A 613 175.069 10.621 5.112 1.00 0.00 N ATOM 264 NH2 ARG A 613 173.825 12.546 5.023 1.00 0.00 N ATOM 0 H ARG A 613 172.582 8.346 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 613 174.060 6.770 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 613 171.300 7.956 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 613 172.400 7.363 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 613 173.600 9.550 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 613 172.061 10.025 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 613 173.135 8.726 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 613 174.607 9.273 2.955 1.00 0.00 H new ATOM 0 HE ARG A 613 172.582 11.376 3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 613 175.267 9.679 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 613 175.633 11.023 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 613 173.064 13.090 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 613 174.392 12.943 5.772 1.00 0.00 H new ATOM 278 N VAL A 614 172.792 4.699 0.340 1.00 0.00 N ATOM 279 CA VAL A 614 172.102 3.468 -0.015 1.00 0.00 C ATOM 280 C VAL A 614 171.646 2.700 1.219 1.00 0.00 C ATOM 281 O VAL A 614 172.438 2.412 2.115 1.00 0.00 O ATOM 282 CB VAL A 614 172.994 2.556 -0.880 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.232 1.313 -1.318 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.524 3.316 -2.087 1.00 0.00 C ATOM 0 H VAL A 614 173.659 4.566 0.860 1.00 0.00 H new ATOM 0 HA VAL A 614 171.223 3.760 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 614 173.843 2.237 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 614 172.881 0.684 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 614 171.908 0.756 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.360 1.608 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.152 2.656 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.688 3.668 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.113 4.169 -1.750 1.00 0.00 H new ATOM 294 N ILE A 615 170.362 2.360 1.248 1.00 0.00 N ATOM 295 CA ILE A 615 169.789 1.611 2.359 1.00 0.00 C ATOM 296 C ILE A 615 169.439 0.198 1.909 1.00 0.00 C ATOM 297 O ILE A 615 168.694 0.014 0.947 1.00 0.00 O ATOM 298 CB ILE A 615 168.520 2.290 2.923 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.509 3.788 2.595 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.431 2.076 4.426 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.692 4.542 3.162 1.00 0.00 C ATOM 0 H ILE A 615 169.696 2.593 0.511 1.00 0.00 H new ATOM 0 HA ILE A 615 170.539 1.581 3.149 1.00 0.00 H new ATOM 0 HB ILE A 615 167.650 1.833 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.494 3.914 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.590 4.229 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.533 2.559 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.388 1.008 4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.309 2.507 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.617 5.595 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.697 4.447 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.615 4.128 2.757 1.00 0.00 H new ATOM 313 N LEU A 616 169.986 -0.799 2.596 1.00 0.00 N ATOM 314 CA LEU A 616 169.730 -2.189 2.239 1.00 0.00 C ATOM 315 C LEU A 616 169.219 -2.990 3.431 1.00 0.00 C ATOM 316 O LEU A 616 169.533 -2.687 4.579 1.00 0.00 O ATOM 317 CB LEU A 616 171.000 -2.835 1.676 1.00 0.00 C ATOM 318 CG LEU A 616 171.115 -2.798 0.151 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.321 -3.595 -0.320 1.00 0.00 C ATOM 320 CD2 LEU A 616 169.842 -3.330 -0.487 1.00 0.00 C ATOM 0 H LEU A 616 170.605 -0.672 3.397 1.00 0.00 H new ATOM 0 HA LEU A 616 168.954 -2.196 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 616 171.867 -2.332 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.039 -3.874 2.004 1.00 0.00 H new ATOM 0 HG LEU A 616 171.253 -1.762 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.382 -3.554 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.228 -3.171 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.219 -4.632 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 616 169.938 -3.298 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 616 169.678 -4.359 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 616 168.996 -2.715 -0.179 1.00 0.00 H new ATOM 332 N ASN A 617 168.427 -4.016 3.141 1.00 0.00 N ATOM 333 CA ASN A 617 167.864 -4.872 4.178 1.00 0.00 C ATOM 334 C ASN A 617 168.229 -6.332 3.923 1.00 0.00 C ATOM 335 O ASN A 617 168.037 -6.845 2.821 1.00 0.00 O ATOM 336 CB ASN A 617 166.345 -4.708 4.220 1.00 0.00 C ATOM 337 CG ASN A 617 165.815 -4.568 5.635 1.00 0.00 C ATOM 338 OD1 ASN A 617 165.814 -3.477 6.205 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.364 -5.678 6.209 1.00 0.00 N ATOM 0 H ASN A 617 168.159 -4.276 2.192 1.00 0.00 H new ATOM 0 HA ASN A 617 168.281 -4.576 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.061 -3.829 3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 617 165.876 -5.569 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 617 164.998 -5.648 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 617 165.384 -6.561 5.698 1.00 0.00 H new ATOM 346 N LYS A 618 168.771 -6.993 4.942 1.00 0.00 N ATOM 347 CA LYS A 618 169.178 -8.390 4.818 1.00 0.00 C ATOM 348 C LYS A 618 168.067 -9.342 5.254 1.00 0.00 C ATOM 349 O LYS A 618 167.906 -10.422 4.685 1.00 0.00 O ATOM 350 CB LYS A 618 170.436 -8.651 5.652 1.00 0.00 C ATOM 351 CG LYS A 618 171.439 -7.507 5.625 1.00 0.00 C ATOM 352 CD LYS A 618 172.474 -7.644 6.731 1.00 0.00 C ATOM 353 CE LYS A 618 173.684 -8.445 6.272 1.00 0.00 C ATOM 354 NZ LYS A 618 174.879 -7.582 6.065 1.00 0.00 N ATOM 0 H LYS A 618 168.939 -6.585 5.862 1.00 0.00 H new ATOM 0 HA LYS A 618 169.391 -8.577 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.143 -8.841 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 618 170.921 -9.556 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.940 -7.485 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.913 -6.558 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.794 -6.654 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 618 172.021 -8.131 7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 618 173.914 -9.211 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.445 -8.962 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 175.462 -7.974 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 174.573 -6.621 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 175.438 -7.547 6.941 1.00 0.00 H new ATOM 516 N LEU A 629 172.915 -12.236 1.885 1.00 0.00 N ATOM 517 CA LEU A 629 173.041 -11.151 2.855 1.00 0.00 C ATOM 518 C LEU A 629 172.123 -9.987 2.484 1.00 0.00 C ATOM 519 O LEU A 629 171.054 -9.820 3.070 1.00 0.00 O ATOM 520 CB LEU A 629 174.493 -10.666 2.960 1.00 0.00 C ATOM 521 CG LEU A 629 175.581 -11.703 2.651 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.317 -13.016 3.364 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.715 -11.925 1.153 1.00 0.00 C ATOM 0 HA LEU A 629 172.740 -11.540 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.622 -9.823 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.656 -10.290 3.970 1.00 0.00 H new ATOM 0 HG LEU A 629 176.525 -11.305 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.107 -13.727 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.297 -12.848 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.356 -13.418 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.493 -12.664 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.767 -12.284 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.981 -10.986 0.668 1.00 0.00 H new ATOM 535 N LEU A 630 172.537 -9.198 1.498 1.00 0.00 N ATOM 536 CA LEU A 630 171.742 -8.061 1.037 1.00 0.00 C ATOM 537 C LEU A 630 171.688 -8.037 -0.490 1.00 0.00 C ATOM 538 O LEU A 630 170.604 -7.992 -1.073 1.00 0.00 O ATOM 539 CB LEU A 630 172.294 -6.733 1.574 1.00 0.00 C ATOM 540 CG LEU A 630 173.776 -6.743 1.937 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.442 -5.429 1.551 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.963 -7.022 3.416 1.00 0.00 C ATOM 0 H LEU A 630 173.419 -9.324 1.001 1.00 0.00 H new ATOM 0 HA LEU A 630 170.731 -8.181 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.125 -5.959 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.722 -6.452 2.458 1.00 0.00 H new ATOM 0 HG LEU A 630 174.255 -7.543 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.498 -5.463 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.347 -5.275 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.959 -4.607 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 630 175.027 -7.025 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 630 173.463 -6.248 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.534 -7.994 3.660 1.00 0.00 H new ATOM 554 N GLY A 631 172.856 -8.090 -1.144 1.00 0.00 N ATOM 555 CA GLY A 631 172.866 -8.095 -2.599 1.00 0.00 C ATOM 556 C GLY A 631 174.184 -7.668 -3.238 1.00 0.00 C ATOM 557 O GLY A 631 174.206 -7.347 -4.427 1.00 0.00 O ATOM 0 H GLY A 631 173.774 -8.129 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.621 -9.099 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.076 -7.433 -2.955 1.00 0.00 H new ATOM 561 N LEU A 632 175.284 -7.663 -2.484 1.00 0.00 N ATOM 562 CA LEU A 632 176.572 -7.264 -3.059 1.00 0.00 C ATOM 563 C LEU A 632 177.755 -7.753 -2.217 1.00 0.00 C ATOM 564 O LEU A 632 177.637 -7.964 -1.018 1.00 0.00 O ATOM 565 CB LEU A 632 176.609 -5.738 -3.251 1.00 0.00 C ATOM 566 CG LEU A 632 177.499 -4.938 -2.295 1.00 0.00 C ATOM 567 CD1 LEU A 632 177.423 -3.459 -2.631 1.00 0.00 C ATOM 568 CD2 LEU A 632 177.091 -5.168 -0.850 1.00 0.00 C ATOM 0 H LEU A 632 175.313 -7.923 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 632 176.670 -7.742 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 632 176.936 -5.533 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.590 -5.361 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 632 178.527 -5.281 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 632 178.059 -2.897 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 632 177.763 -3.300 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 632 176.393 -3.116 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 632 177.739 -4.588 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 632 176.057 -4.854 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 632 177.184 -6.227 -0.610 1.00 0.00 H new ATOM 580 N LYS A 633 178.904 -7.922 -2.854 1.00 0.00 N ATOM 581 CA LYS A 633 180.100 -8.369 -2.149 1.00 0.00 C ATOM 582 C LYS A 633 181.089 -7.217 -2.038 1.00 0.00 C ATOM 583 O LYS A 633 181.394 -6.559 -3.031 1.00 0.00 O ATOM 584 CB LYS A 633 180.738 -9.557 -2.874 1.00 0.00 C ATOM 585 CG LYS A 633 180.884 -10.794 -2.002 1.00 0.00 C ATOM 586 CD LYS A 633 182.329 -11.019 -1.587 1.00 0.00 C ATOM 587 CE LYS A 633 182.476 -12.280 -0.750 1.00 0.00 C ATOM 588 NZ LYS A 633 183.695 -12.241 0.103 1.00 0.00 N ATOM 0 H LYS A 633 179.035 -7.758 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 633 179.821 -8.695 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.134 -9.807 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.721 -9.263 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 633 180.262 -10.689 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.520 -11.667 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 633 182.957 -11.095 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 633 182.684 -10.160 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 633 181.595 -12.402 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 633 182.520 -13.149 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 184.285 -13.074 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 184.235 -11.377 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 183.418 -12.245 1.105 1.00 0.00 H new ATOM 602 N VAL A 634 181.572 -6.960 -0.827 1.00 0.00 N ATOM 603 CA VAL A 634 182.504 -5.862 -0.611 1.00 0.00 C ATOM 604 C VAL A 634 183.799 -6.321 0.034 1.00 0.00 C ATOM 605 O VAL A 634 183.849 -7.340 0.717 1.00 0.00 O ATOM 606 CB VAL A 634 181.873 -4.755 0.259 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.945 -3.886 0.911 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.935 -3.909 -0.578 1.00 0.00 C ATOM 0 H VAL A 634 181.336 -7.491 0.011 1.00 0.00 H new ATOM 0 HA VAL A 634 182.734 -5.464 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 634 181.303 -5.230 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.469 -3.115 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.580 -4.506 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.552 -3.416 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.494 -3.130 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.491 -3.449 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.144 -4.538 -0.986 1.00 0.00 H new ATOM 618 N VAL A 635 184.841 -5.536 -0.193 1.00 0.00 N ATOM 619 CA VAL A 635 186.150 -5.817 0.354 1.00 0.00 C ATOM 620 C VAL A 635 186.539 -4.761 1.387 1.00 0.00 C ATOM 621 O VAL A 635 185.994 -3.658 1.397 1.00 0.00 O ATOM 622 CB VAL A 635 187.196 -5.888 -0.779 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.492 -5.188 -0.403 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.445 -7.334 -1.152 1.00 0.00 C ATOM 0 H VAL A 635 184.799 -4.690 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 635 186.119 -6.784 0.856 1.00 0.00 H new ATOM 0 HB VAL A 635 186.796 -5.360 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.199 -5.263 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.290 -4.138 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.917 -5.661 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 635 188.184 -7.381 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.817 -7.875 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.514 -7.788 -1.491 1.00 0.00 H new ATOM 634 N GLY A 636 187.486 -5.108 2.251 1.00 0.00 N ATOM 635 CA GLY A 636 187.932 -4.180 3.272 1.00 0.00 C ATOM 636 C GLY A 636 189.435 -3.980 3.255 1.00 0.00 C ATOM 637 O GLY A 636 190.187 -4.911 2.968 1.00 0.00 O ATOM 0 H GLY A 636 187.952 -6.015 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.439 -3.219 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.628 -4.549 4.252 1.00 0.00 H new ATOM 641 N GLY A 637 189.873 -2.763 3.560 1.00 0.00 N ATOM 642 CA GLY A 637 191.294 -2.469 3.571 1.00 0.00 C ATOM 643 C GLY A 637 191.846 -2.217 2.182 1.00 0.00 C ATOM 644 O GLY A 637 192.595 -3.034 1.647 1.00 0.00 O ATOM 0 H GLY A 637 189.270 -1.976 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.476 -1.594 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.830 -3.302 4.026 1.00 0.00 H new ATOM 648 N LYS A 638 191.476 -1.083 1.598 1.00 0.00 N ATOM 649 CA LYS A 638 191.939 -0.724 0.262 1.00 0.00 C ATOM 650 C LYS A 638 192.458 0.710 0.232 1.00 0.00 C ATOM 651 O LYS A 638 191.690 1.655 0.051 1.00 0.00 O ATOM 652 CB LYS A 638 190.809 -0.892 -0.754 1.00 0.00 C ATOM 653 CG LYS A 638 190.233 -2.298 -0.798 1.00 0.00 C ATOM 654 CD LYS A 638 191.109 -3.234 -1.616 1.00 0.00 C ATOM 655 CE LYS A 638 190.475 -3.563 -2.958 1.00 0.00 C ATOM 656 NZ LYS A 638 191.485 -3.618 -4.051 1.00 0.00 N ATOM 0 H LYS A 638 190.857 -0.396 2.028 1.00 0.00 H new ATOM 0 HA LYS A 638 192.758 -1.392 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.011 -0.189 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.181 -0.630 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.135 -2.684 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.231 -2.269 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 638 192.084 -2.774 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 638 191.279 -4.155 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 638 189.960 -4.521 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 638 189.722 -2.812 -3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 191.012 -3.845 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 191.959 -2.696 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 192.190 -4.352 -3.836 1.00 0.00 H new ATOM 763 N LEU A 645 192.067 4.008 4.031 1.00 0.00 N ATOM 764 CA LEU A 645 191.504 2.700 3.715 1.00 0.00 C ATOM 765 C LEU A 645 189.992 2.789 3.533 1.00 0.00 C ATOM 766 O LEU A 645 189.328 3.608 4.169 1.00 0.00 O ATOM 767 CB LEU A 645 191.838 1.694 4.820 1.00 0.00 C ATOM 768 CG LEU A 645 193.277 1.170 4.810 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.450 0.068 5.845 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.654 0.665 3.425 1.00 0.00 C ATOM 0 HA LEU A 645 191.946 2.359 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.645 2.161 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.159 0.846 4.735 1.00 0.00 H new ATOM 0 HG LEU A 645 193.944 1.993 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.478 -0.293 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.223 0.461 6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 645 192.772 -0.755 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 645 194.680 0.297 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 645 192.982 -0.144 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.570 1.480 2.705 1.00 0.00 H new ATOM 782 N GLY A 646 189.456 1.941 2.662 1.00 0.00 N ATOM 783 CA GLY A 646 188.026 1.941 2.412 1.00 0.00 C ATOM 784 C GLY A 646 187.508 0.577 1.998 1.00 0.00 C ATOM 785 O GLY A 646 188.185 -0.434 2.184 1.00 0.00 O ATOM 0 H GLY A 646 189.985 1.254 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.503 2.267 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 646 187.797 2.665 1.630 1.00 0.00 H new ATOM 789 N ALA A 647 186.304 0.551 1.437 1.00 0.00 N ATOM 790 CA ALA A 647 185.693 -0.696 0.996 1.00 0.00 C ATOM 791 C ALA A 647 185.306 -0.630 -0.477 1.00 0.00 C ATOM 792 O ALA A 647 184.848 0.404 -0.963 1.00 0.00 O ATOM 793 CB ALA A 647 184.475 -1.018 1.849 1.00 0.00 C ATOM 0 H ALA A 647 185.732 1.380 1.277 1.00 0.00 H new ATOM 0 HA ALA A 647 186.428 -1.492 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.029 -1.952 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.777 -1.119 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.745 -0.213 1.760 1.00 0.00 H new ATOM 799 N PHE A 648 185.492 -1.741 -1.182 1.00 0.00 N ATOM 800 CA PHE A 648 185.159 -1.813 -2.601 1.00 0.00 C ATOM 801 C PHE A 648 184.301 -3.041 -2.890 1.00 0.00 C ATOM 802 O PHE A 648 184.492 -4.098 -2.291 1.00 0.00 O ATOM 803 CB PHE A 648 186.436 -1.857 -3.443 1.00 0.00 C ATOM 804 CG PHE A 648 187.040 -0.504 -3.686 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.953 0.032 -2.790 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.696 0.232 -4.808 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.511 1.276 -3.012 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.252 1.477 -5.034 1.00 0.00 C ATOM 809 CZ PHE A 648 188.160 2.001 -4.134 1.00 0.00 C ATOM 0 H PHE A 648 185.872 -2.605 -0.794 1.00 0.00 H new ATOM 0 HA PHE A 648 184.590 -0.922 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.170 -2.489 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.213 -2.324 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.230 -0.529 -1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 648 185.985 -0.172 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.222 1.682 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 648 186.977 2.040 -5.914 1.00 0.00 H new ATOM 0 HZ PHE A 648 188.594 2.975 -4.307 1.00 0.00 H new ATOM 819 N ILE A 649 183.353 -2.895 -3.810 1.00 0.00 N ATOM 820 CA ILE A 649 182.467 -3.995 -4.170 1.00 0.00 C ATOM 821 C ILE A 649 183.096 -4.883 -5.241 1.00 0.00 C ATOM 822 O ILE A 649 183.464 -4.413 -6.317 1.00 0.00 O ATOM 823 CB ILE A 649 181.103 -3.475 -4.670 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.395 -2.697 -3.557 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.229 -4.625 -5.153 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.436 -1.644 -4.071 1.00 0.00 C ATOM 0 H ILE A 649 183.179 -2.028 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 649 182.310 -4.586 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 649 181.278 -2.805 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.848 -3.398 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 649 181.144 -2.218 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.273 -4.234 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.729 -5.143 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 649 180.059 -5.322 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.971 -1.133 -3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.981 -0.921 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.665 -2.119 -4.677 1.00 0.00 H new ATOM 838 N THR A 650 183.231 -6.168 -4.928 1.00 0.00 N ATOM 839 CA THR A 650 183.827 -7.121 -5.856 1.00 0.00 C ATOM 840 C THR A 650 182.792 -7.689 -6.826 1.00 0.00 C ATOM 841 O THR A 650 183.130 -8.065 -7.949 1.00 0.00 O ATOM 842 CB THR A 650 184.506 -8.260 -5.093 1.00 0.00 C ATOM 843 OG1 THR A 650 183.602 -8.870 -4.190 1.00 0.00 O ATOM 844 CG2 THR A 650 185.716 -7.812 -4.300 1.00 0.00 C ATOM 0 H THR A 650 182.936 -6.572 -4.039 1.00 0.00 H new ATOM 0 HA THR A 650 184.575 -6.583 -6.439 1.00 0.00 H new ATOM 0 HB THR A 650 184.833 -8.964 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 650 184.056 -9.597 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 650 186.150 -8.668 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 650 186.456 -7.383 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 650 185.415 -7.062 -3.569 1.00 0.00 H new ATOM 852 N LYS A 651 181.532 -7.757 -6.398 1.00 0.00 N ATOM 853 CA LYS A 651 180.478 -8.290 -7.257 1.00 0.00 C ATOM 854 C LYS A 651 179.087 -8.064 -6.665 1.00 0.00 C ATOM 855 O LYS A 651 178.900 -8.097 -5.448 1.00 0.00 O ATOM 856 CB LYS A 651 180.706 -9.785 -7.509 1.00 0.00 C ATOM 857 CG LYS A 651 180.308 -10.679 -6.343 1.00 0.00 C ATOM 858 CD LYS A 651 180.487 -12.150 -6.685 1.00 0.00 C ATOM 859 CE LYS A 651 179.295 -12.692 -7.456 1.00 0.00 C ATOM 860 NZ LYS A 651 179.412 -12.428 -8.916 1.00 0.00 N ATOM 0 H LYS A 651 181.220 -7.454 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 651 180.524 -7.751 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 651 180.141 -10.084 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.760 -9.948 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.912 -10.431 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.268 -10.490 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.393 -12.279 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.620 -12.724 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 651 179.211 -13.765 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 651 178.380 -12.237 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 179.079 -13.258 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 178.832 -11.602 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 180.406 -12.239 -9.156 1.00 0.00 H new ATOM 874 N VAL A 652 178.116 -7.846 -7.547 1.00 0.00 N ATOM 875 CA VAL A 652 176.728 -7.625 -7.144 1.00 0.00 C ATOM 876 C VAL A 652 175.831 -8.737 -7.678 1.00 0.00 C ATOM 877 O VAL A 652 175.964 -9.152 -8.829 1.00 0.00 O ATOM 878 CB VAL A 652 176.182 -6.269 -7.653 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.139 -5.241 -6.532 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.009 -5.753 -8.819 1.00 0.00 C ATOM 0 H VAL A 652 178.266 -7.817 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 652 176.718 -7.620 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 652 175.163 -6.432 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.752 -4.298 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.490 -5.600 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 652 177.145 -5.087 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.605 -4.799 -9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.042 -5.616 -8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 652 176.974 -6.473 -9.637 1.00 0.00 H new ATOM 890 N LYS A 653 174.915 -9.213 -6.843 1.00 0.00 N ATOM 891 CA LYS A 653 173.998 -10.272 -7.246 1.00 0.00 C ATOM 892 C LYS A 653 172.879 -9.707 -8.116 1.00 0.00 C ATOM 893 O LYS A 653 171.979 -9.027 -7.623 1.00 0.00 O ATOM 894 CB LYS A 653 173.411 -10.971 -6.017 1.00 0.00 C ATOM 895 CG LYS A 653 173.919 -12.390 -5.824 1.00 0.00 C ATOM 896 CD LYS A 653 172.887 -13.417 -6.265 1.00 0.00 C ATOM 897 CE LYS A 653 173.100 -14.754 -5.574 1.00 0.00 C ATOM 898 NZ LYS A 653 172.137 -14.961 -4.456 1.00 0.00 N ATOM 0 H LYS A 653 174.788 -8.884 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 653 174.556 -11.005 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.648 -10.385 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.325 -10.992 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 653 174.838 -12.529 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 653 174.167 -12.549 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 653 171.886 -13.047 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 653 172.945 -13.551 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 653 172.992 -15.559 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 653 174.119 -14.806 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 172.315 -15.884 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 172.257 -14.207 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 171.165 -14.937 -4.826 1.00 0.00 H new ATOM 912 N LYS A 654 172.945 -9.989 -9.414 1.00 0.00 N ATOM 913 CA LYS A 654 171.942 -9.507 -10.358 1.00 0.00 C ATOM 914 C LYS A 654 170.536 -9.907 -9.924 1.00 0.00 C ATOM 915 O LYS A 654 170.092 -11.028 -10.177 1.00 0.00 O ATOM 916 CB LYS A 654 172.229 -10.051 -11.758 1.00 0.00 C ATOM 917 CG LYS A 654 173.549 -9.572 -12.339 1.00 0.00 C ATOM 918 CD LYS A 654 174.004 -10.456 -13.490 1.00 0.00 C ATOM 919 CE LYS A 654 174.411 -11.839 -13.007 1.00 0.00 C ATOM 920 NZ LYS A 654 173.548 -12.906 -13.588 1.00 0.00 N ATOM 0 H LYS A 654 173.684 -10.550 -9.837 1.00 0.00 H new ATOM 0 HA LYS A 654 171.996 -8.418 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.232 -11.140 -11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 654 171.420 -9.756 -12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 654 173.443 -8.545 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 654 174.311 -9.567 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 654 173.199 -10.547 -14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 654 174.845 -9.986 -14.000 1.00 0.00 H new ATOM 0 HE2 LYS A 654 175.451 -12.026 -13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 654 174.351 -11.876 -11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 173.858 -13.834 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 172.559 -12.742 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 173.624 -12.888 -14.625 1.00 0.00 H new ATOM 934 N GLY A 655 169.837 -8.984 -9.269 1.00 0.00 N ATOM 935 CA GLY A 655 168.487 -9.261 -8.814 1.00 0.00 C ATOM 936 C GLY A 655 168.297 -8.961 -7.340 1.00 0.00 C ATOM 937 O GLY A 655 167.205 -8.587 -6.913 1.00 0.00 O ATOM 0 H GLY A 655 170.182 -8.050 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.782 -8.667 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.252 -10.309 -9.001 1.00 0.00 H new ATOM 941 N SER A 656 169.358 -9.130 -6.559 1.00 0.00 N ATOM 942 CA SER A 656 169.297 -8.876 -5.125 1.00 0.00 C ATOM 943 C SER A 656 168.925 -7.424 -4.842 1.00 0.00 C ATOM 944 O SER A 656 168.823 -6.608 -5.758 1.00 0.00 O ATOM 945 CB SER A 656 170.636 -9.211 -4.466 1.00 0.00 C ATOM 946 OG SER A 656 170.459 -9.570 -3.107 1.00 0.00 O ATOM 0 H SER A 656 170.270 -9.441 -6.894 1.00 0.00 H new ATOM 0 HA SER A 656 168.524 -9.518 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.114 -10.030 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 656 171.304 -8.352 -4.535 1.00 0.00 H new ATOM 0 HG SER A 656 170.298 -8.764 -2.574 1.00 0.00 H new ATOM 952 N LEU A 657 168.722 -7.113 -3.567 1.00 0.00 N ATOM 953 CA LEU A 657 168.358 -5.763 -3.155 1.00 0.00 C ATOM 954 C LEU A 657 169.413 -4.751 -3.587 1.00 0.00 C ATOM 955 O LEU A 657 169.097 -3.725 -4.188 1.00 0.00 O ATOM 956 CB LEU A 657 168.175 -5.703 -1.638 1.00 0.00 C ATOM 957 CG LEU A 657 167.328 -6.832 -1.043 1.00 0.00 C ATOM 958 CD1 LEU A 657 168.046 -7.480 0.131 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.966 -6.307 -0.611 1.00 0.00 C ATOM 0 H LEU A 657 168.804 -7.779 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 657 167.417 -5.508 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 657 169.158 -5.720 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.715 -4.749 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 657 167.178 -7.589 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 657 167.428 -8.279 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.996 -7.893 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 657 168.229 -6.733 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.378 -7.123 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.098 -5.530 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.446 -5.892 -1.474 1.00 0.00 H new ATOM 971 N ALA A 658 170.669 -5.049 -3.276 1.00 0.00 N ATOM 972 CA ALA A 658 171.777 -4.165 -3.625 1.00 0.00 C ATOM 973 C ALA A 658 171.737 -3.776 -5.099 1.00 0.00 C ATOM 974 O ALA A 658 172.225 -2.716 -5.485 1.00 0.00 O ATOM 975 CB ALA A 658 173.105 -4.827 -3.289 1.00 0.00 C ATOM 0 H ALA A 658 170.947 -5.897 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 658 171.675 -3.253 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.923 -4.157 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 658 173.144 -5.043 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.201 -5.756 -3.850 1.00 0.00 H new ATOM 981 N ASP A 659 171.157 -4.642 -5.919 1.00 0.00 N ATOM 982 CA ASP A 659 171.059 -4.386 -7.352 1.00 0.00 C ATOM 983 C ASP A 659 169.794 -3.604 -7.686 1.00 0.00 C ATOM 984 O ASP A 659 169.851 -2.547 -8.315 1.00 0.00 O ATOM 985 CB ASP A 659 171.079 -5.704 -8.129 1.00 0.00 C ATOM 986 CG ASP A 659 171.531 -5.523 -9.565 1.00 0.00 C ATOM 987 OD1 ASP A 659 170.804 -4.864 -10.336 1.00 0.00 O ATOM 988 OD2 ASP A 659 172.611 -6.042 -9.916 1.00 0.00 O ATOM 0 H ASP A 659 170.748 -5.527 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 659 171.920 -3.785 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.744 -6.408 -7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 659 170.082 -6.144 -8.118 1.00 0.00 H new ATOM 993 N VAL A 660 168.655 -4.139 -7.271 1.00 0.00 N ATOM 994 CA VAL A 660 167.366 -3.502 -7.534 1.00 0.00 C ATOM 995 C VAL A 660 167.196 -2.203 -6.744 1.00 0.00 C ATOM 996 O VAL A 660 166.927 -1.152 -7.324 1.00 0.00 O ATOM 997 CB VAL A 660 166.179 -4.439 -7.222 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.884 -5.337 -8.414 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.440 -5.271 -5.972 1.00 0.00 C ATOM 0 H VAL A 660 168.594 -5.014 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 660 167.364 -3.272 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 660 165.304 -3.818 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 660 165.045 -5.991 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.633 -4.723 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.762 -5.941 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.585 -5.919 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.331 -5.881 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.591 -4.609 -5.119 1.00 0.00 H new ATOM 1009 N VAL A 661 167.345 -2.276 -5.422 1.00 0.00 N ATOM 1010 CA VAL A 661 167.194 -1.097 -4.577 1.00 0.00 C ATOM 1011 C VAL A 661 168.529 -0.386 -4.362 1.00 0.00 C ATOM 1012 O VAL A 661 168.585 0.844 -4.326 1.00 0.00 O ATOM 1013 CB VAL A 661 166.570 -1.453 -3.209 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.425 -2.470 -2.471 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.367 -0.200 -2.366 1.00 0.00 C ATOM 0 H VAL A 661 167.569 -3.134 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 661 166.519 -0.422 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 661 165.593 -1.903 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 661 166.965 -2.704 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.504 -3.379 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.420 -2.057 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 661 165.927 -0.474 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.328 0.285 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.700 0.486 -2.889 1.00 0.00 H new ATOM 1025 N GLY A 662 169.602 -1.159 -4.225 1.00 0.00 N ATOM 1026 CA GLY A 662 170.913 -0.569 -4.024 1.00 0.00 C ATOM 1027 C GLY A 662 171.366 0.227 -5.231 1.00 0.00 C ATOM 1028 O GLY A 662 171.645 1.422 -5.130 1.00 0.00 O ATOM 0 H GLY A 662 169.588 -2.179 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.888 0.081 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.637 -1.356 -3.816 1.00 0.00 H new ATOM 1032 N HIS A 663 171.421 -0.438 -6.381 1.00 0.00 N ATOM 1033 CA HIS A 663 171.821 0.203 -7.629 1.00 0.00 C ATOM 1034 C HIS A 663 173.321 0.498 -7.674 1.00 0.00 C ATOM 1035 O HIS A 663 173.729 1.623 -7.964 1.00 0.00 O ATOM 1036 CB HIS A 663 171.029 1.496 -7.844 1.00 0.00 C ATOM 1037 CG HIS A 663 170.834 1.846 -9.287 1.00 0.00 C ATOM 1038 ND1 HIS A 663 171.669 2.702 -9.973 1.00 0.00 N ATOM 1039 CD2 HIS A 663 169.893 1.449 -10.175 1.00 0.00 C ATOM 1040 CE1 HIS A 663 171.249 2.818 -11.221 1.00 0.00 C ATOM 1041 NE2 HIS A 663 170.174 2.066 -11.369 1.00 0.00 N ATOM 0 H HIS A 663 171.192 -1.428 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 663 171.599 -0.498 -8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 663 170.054 1.398 -7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.546 2.316 -7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 663 169.074 0.773 -9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 663 171.707 3.424 -11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 663 169.639 1.960 -12.231 1.00 0.00 H new ATOM 1050 N LEU A 664 174.142 -0.519 -7.420 1.00 0.00 N ATOM 1051 CA LEU A 664 175.589 -0.351 -7.472 1.00 0.00 C ATOM 1052 C LEU A 664 176.225 -1.535 -8.183 1.00 0.00 C ATOM 1053 O LEU A 664 175.549 -2.511 -8.509 1.00 0.00 O ATOM 1054 CB LEU A 664 176.199 -0.171 -6.075 1.00 0.00 C ATOM 1055 CG LEU A 664 175.542 -0.962 -4.944 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.192 -0.363 -4.584 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.404 -2.427 -5.324 1.00 0.00 C ATOM 0 H LEU A 664 173.831 -1.460 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 664 175.797 0.560 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.251 -0.451 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.162 0.888 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 664 176.183 -0.901 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.741 -0.941 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.327 0.669 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.539 -0.387 -5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 664 174.934 -2.972 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.788 -2.514 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.391 -2.846 -5.520 1.00 0.00 H new ATOM 1069 N ARG A 665 177.523 -1.445 -8.433 1.00 0.00 N ATOM 1070 CA ARG A 665 178.235 -2.514 -9.119 1.00 0.00 C ATOM 1071 C ARG A 665 179.643 -2.679 -8.567 1.00 0.00 C ATOM 1072 O ARG A 665 180.146 -1.816 -7.847 1.00 0.00 O ATOM 1073 CB ARG A 665 178.294 -2.232 -10.620 1.00 0.00 C ATOM 1074 CG ARG A 665 176.926 -2.089 -11.267 1.00 0.00 C ATOM 1075 CD ARG A 665 177.034 -1.577 -12.694 1.00 0.00 C ATOM 1076 NE ARG A 665 175.886 -0.757 -13.071 1.00 0.00 N ATOM 1077 CZ ARG A 665 175.844 0.003 -14.163 1.00 0.00 C ATOM 1078 NH1 ARG A 665 176.883 0.052 -14.986 1.00 0.00 N ATOM 1079 NH2 ARG A 665 174.758 0.716 -14.431 1.00 0.00 N ATOM 0 H ARG A 665 178.103 -0.647 -8.173 1.00 0.00 H new ATOM 0 HA ARG A 665 177.690 -3.443 -8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.863 -1.317 -10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 665 178.837 -3.039 -11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.418 -3.053 -11.263 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.314 -1.404 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 665 177.948 -0.992 -12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.115 -2.423 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 665 175.068 -0.767 -12.462 1.00 0.00 H new ATOM 0 HH11 ARG A 665 177.720 -0.495 -14.784 1.00 0.00 H new ATOM 0 HH12 ARG A 665 176.845 0.636 -15.821 1.00 0.00 H new ATOM 0 HH21 ARG A 665 173.957 0.681 -13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 665 174.724 1.299 -15.267 1.00 0.00 H new ATOM 1093 N ALA A 666 180.276 -3.795 -8.913 1.00 0.00 N ATOM 1094 CA ALA A 666 181.628 -4.074 -8.455 1.00 0.00 C ATOM 1095 C ALA A 666 182.581 -2.960 -8.864 1.00 0.00 C ATOM 1096 O ALA A 666 182.707 -2.636 -10.045 1.00 0.00 O ATOM 1097 CB ALA A 666 182.104 -5.410 -9.000 1.00 0.00 C ATOM 0 H ALA A 666 179.873 -4.519 -9.508 1.00 0.00 H new ATOM 0 HA ALA A 666 181.617 -4.125 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 666 183.117 -5.606 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.440 -6.202 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 666 182.096 -5.382 -10.090 1.00 0.00 H new ATOM 1103 N GLY A 667 183.239 -2.368 -7.877 1.00 0.00 N ATOM 1104 CA GLY A 667 184.161 -1.283 -8.143 1.00 0.00 C ATOM 1105 C GLY A 667 183.827 -0.046 -7.335 1.00 0.00 C ATOM 1106 O GLY A 667 184.689 0.795 -7.084 1.00 0.00 O ATOM 0 H GLY A 667 183.150 -2.621 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.176 -1.605 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.138 -1.040 -9.205 1.00 0.00 H new ATOM 1110 N ASP A 668 182.567 0.058 -6.921 1.00 0.00 N ATOM 1111 CA ASP A 668 182.114 1.194 -6.127 1.00 0.00 C ATOM 1112 C ASP A 668 182.804 1.202 -4.769 1.00 0.00 C ATOM 1113 O ASP A 668 183.054 0.148 -4.182 1.00 0.00 O ATOM 1114 CB ASP A 668 180.595 1.143 -5.946 1.00 0.00 C ATOM 1115 CG ASP A 668 179.864 2.027 -6.937 1.00 0.00 C ATOM 1116 OD1 ASP A 668 179.940 1.746 -8.152 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.217 3.001 -6.500 1.00 0.00 O ATOM 0 H ASP A 668 181.842 -0.631 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 668 182.374 2.111 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.253 0.114 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.342 1.453 -4.932 1.00 0.00 H new ATOM 1122 N GLU A 669 183.114 2.393 -4.273 1.00 0.00 N ATOM 1123 CA GLU A 669 183.781 2.530 -2.985 1.00 0.00 C ATOM 1124 C GLU A 669 182.801 2.968 -1.904 1.00 0.00 C ATOM 1125 O GLU A 669 182.293 4.088 -1.932 1.00 0.00 O ATOM 1126 CB GLU A 669 184.929 3.536 -3.086 1.00 0.00 C ATOM 1127 CG GLU A 669 185.905 3.467 -1.922 1.00 0.00 C ATOM 1128 CD GLU A 669 186.946 4.567 -1.969 1.00 0.00 C ATOM 1129 OE1 GLU A 669 187.227 5.072 -3.077 1.00 0.00 O ATOM 1130 OE2 GLU A 669 187.482 4.924 -0.899 1.00 0.00 O ATOM 0 H GLU A 669 182.915 3.276 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 669 184.183 1.555 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.472 3.362 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.515 4.543 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.352 3.534 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.405 2.498 -1.928 1.00 0.00 H new ATOM 1137 N VAL A 670 182.544 2.079 -0.948 1.00 0.00 N ATOM 1138 CA VAL A 670 181.630 2.383 0.146 1.00 0.00 C ATOM 1139 C VAL A 670 182.392 2.923 1.352 1.00 0.00 C ATOM 1140 O VAL A 670 183.047 2.171 2.072 1.00 0.00 O ATOM 1141 CB VAL A 670 180.813 1.139 0.571 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.100 1.378 1.895 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.812 0.762 -0.510 1.00 0.00 C ATOM 0 H VAL A 670 182.955 1.146 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 670 180.939 3.143 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 670 181.509 0.311 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.534 0.488 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.835 1.594 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.420 2.224 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.247 -0.115 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.128 1.593 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.343 0.537 -1.435 1.00 0.00 H new ATOM 1153 N LEU A 671 182.296 4.230 1.568 1.00 0.00 N ATOM 1154 CA LEU A 671 182.972 4.865 2.692 1.00 0.00 C ATOM 1155 C LEU A 671 182.123 4.787 3.962 1.00 0.00 C ATOM 1156 O LEU A 671 182.490 5.344 4.996 1.00 0.00 O ATOM 1157 CB LEU A 671 183.289 6.330 2.369 1.00 0.00 C ATOM 1158 CG LEU A 671 183.980 6.579 1.023 1.00 0.00 C ATOM 1159 CD1 LEU A 671 184.991 5.484 0.717 1.00 0.00 C ATOM 1160 CD2 LEU A 671 182.949 6.682 -0.091 1.00 0.00 C ATOM 0 H LEU A 671 181.758 4.868 0.982 1.00 0.00 H new ATOM 0 HA LEU A 671 183.904 4.327 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.358 6.897 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 671 183.923 6.729 3.161 1.00 0.00 H new ATOM 0 HG LEU A 671 184.518 7.525 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.466 5.685 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.750 5.460 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.483 4.521 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.455 6.859 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.382 5.753 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.270 7.509 0.117 1.00 0.00 H new ATOM 1172 N GLU A 672 180.983 4.105 3.879 1.00 0.00 N ATOM 1173 CA GLU A 672 180.095 3.976 5.027 1.00 0.00 C ATOM 1174 C GLU A 672 179.341 2.651 5.005 1.00 0.00 C ATOM 1175 O GLU A 672 178.708 2.300 4.012 1.00 0.00 O ATOM 1176 CB GLU A 672 179.098 5.130 5.043 1.00 0.00 C ATOM 1177 CG GLU A 672 179.741 6.487 5.273 1.00 0.00 C ATOM 1178 CD GLU A 672 178.849 7.430 6.055 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.465 7.079 7.191 1.00 0.00 O ATOM 1180 OE2 GLU A 672 178.532 8.520 5.532 1.00 0.00 O ATOM 0 H GLU A 672 180.656 3.637 3.034 1.00 0.00 H new ATOM 0 HA GLU A 672 180.708 4.003 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.561 5.148 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.360 4.950 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.681 6.353 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 672 179.984 6.937 4.311 1.00 0.00 H new ATOM 1187 N TRP A 673 179.404 1.927 6.117 1.00 0.00 N ATOM 1188 CA TRP A 673 178.719 0.648 6.244 1.00 0.00 C ATOM 1189 C TRP A 673 177.920 0.611 7.540 1.00 0.00 C ATOM 1190 O TRP A 673 178.490 0.611 8.631 1.00 0.00 O ATOM 1191 CB TRP A 673 179.730 -0.498 6.220 1.00 0.00 C ATOM 1192 CG TRP A 673 179.115 -1.824 5.897 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.344 -2.592 6.719 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.223 -2.539 4.662 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.966 -3.743 6.071 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.495 -3.734 4.806 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.866 -2.283 3.449 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.395 -4.672 3.780 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.763 -3.212 2.434 1.00 0.00 C ATOM 1200 CH2 TRP A 673 179.032 -4.395 2.605 1.00 0.00 C ATOM 0 H TRP A 673 179.926 2.207 6.947 1.00 0.00 H new ATOM 0 HA TRP A 673 178.036 0.531 5.403 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.504 -0.275 5.485 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.221 -0.560 7.191 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.071 -2.333 7.731 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.386 -4.483 6.466 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.433 -1.375 3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.834 -5.585 3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 180.255 -3.024 1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.971 -5.102 1.791 1.00 0.00 H new ATOM 1211 N ASN A 674 176.597 0.591 7.419 1.00 0.00 N ATOM 1212 CA ASN A 674 175.722 0.565 8.586 1.00 0.00 C ATOM 1213 C ASN A 674 175.784 1.891 9.338 1.00 0.00 C ATOM 1214 O ASN A 674 175.751 1.923 10.568 1.00 0.00 O ATOM 1215 CB ASN A 674 176.102 -0.584 9.522 1.00 0.00 C ATOM 1216 CG ASN A 674 175.038 -0.854 10.567 1.00 0.00 C ATOM 1217 OD1 ASN A 674 173.856 -1.259 10.115 1.00 0.00 O flip ATOM 1218 ND2 ASN A 674 175.275 -0.702 11.765 1.00 0.00 N flip ATOM 0 H ASN A 674 176.107 0.592 6.525 1.00 0.00 H new ATOM 0 HA ASN A 674 174.702 0.409 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.268 -1.487 8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.043 -0.348 10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 674 176.198 -0.389 12.067 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.549 -0.889 12.456 1.00 0.00 H new ATOM 1225 N GLY A 675 175.863 2.984 8.587 1.00 0.00 N ATOM 1226 CA GLY A 675 175.918 4.303 9.189 1.00 0.00 C ATOM 1227 C GLY A 675 177.217 4.572 9.928 1.00 0.00 C ATOM 1228 O GLY A 675 177.286 5.485 10.751 1.00 0.00 O ATOM 0 H GLY A 675 175.890 2.979 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 675 175.788 5.056 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.084 4.414 9.882 1.00 0.00 H new ATOM 1232 N LYS A 676 178.250 3.783 9.641 1.00 0.00 N ATOM 1233 CA LYS A 676 179.543 3.959 10.294 1.00 0.00 C ATOM 1234 C LYS A 676 180.586 4.449 9.303 1.00 0.00 C ATOM 1235 O LYS A 676 180.541 4.099 8.124 1.00 0.00 O ATOM 1236 CB LYS A 676 180.005 2.634 10.928 1.00 0.00 C ATOM 1237 CG LYS A 676 181.347 2.095 10.409 1.00 0.00 C ATOM 1238 CD LYS A 676 182.403 2.066 11.507 1.00 0.00 C ATOM 1239 CE LYS A 676 181.935 1.272 12.716 1.00 0.00 C ATOM 1240 NZ LYS A 676 183.073 0.855 13.582 1.00 0.00 N ATOM 0 H LYS A 676 178.217 3.020 8.965 1.00 0.00 H new ATOM 0 HA LYS A 676 179.429 4.709 11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.080 2.772 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.237 1.880 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.207 1.090 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.695 2.718 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.322 1.628 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.640 3.086 11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.238 1.875 13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.391 0.389 12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 182.897 -0.102 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.951 0.856 13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 183.166 1.519 14.377 1.00 0.00 H new ATOM 1254 N PRO A 677 181.564 5.238 9.767 1.00 0.00 N ATOM 1255 CA PRO A 677 182.623 5.722 8.902 1.00 0.00 C ATOM 1256 C PRO A 677 183.710 4.667 8.731 1.00 0.00 C ATOM 1257 O PRO A 677 184.344 4.245 9.698 1.00 0.00 O ATOM 1258 CB PRO A 677 183.155 6.930 9.666 1.00 0.00 C ATOM 1259 CG PRO A 677 182.946 6.587 11.104 1.00 0.00 C ATOM 1260 CD PRO A 677 181.730 5.693 11.160 1.00 0.00 C ATOM 0 HA PRO A 677 182.284 5.961 7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.209 7.104 9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.619 7.839 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 677 183.820 6.079 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 677 182.793 7.487 11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 677 181.881 4.854 11.840 1.00 0.00 H new ATOM 0 HD3 PRO A 677 180.851 6.234 11.512 1.00 0.00 H new ATOM 1268 N LEU A 678 183.909 4.246 7.493 1.00 0.00 N ATOM 1269 CA LEU A 678 184.907 3.234 7.167 1.00 0.00 C ATOM 1270 C LEU A 678 186.288 3.842 6.891 1.00 0.00 C ATOM 1271 O LEU A 678 187.303 3.252 7.261 1.00 0.00 O ATOM 1272 CB LEU A 678 184.450 2.415 5.960 1.00 0.00 C ATOM 1273 CG LEU A 678 183.104 1.705 6.131 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.690 1.025 4.835 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.172 0.697 7.273 1.00 0.00 C ATOM 0 H LEU A 678 183.388 4.592 6.688 1.00 0.00 H new ATOM 0 HA LEU A 678 185.004 2.586 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.388 3.075 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.212 1.668 5.737 1.00 0.00 H new ATOM 0 HG LEU A 678 182.350 2.451 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.731 0.526 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.598 1.771 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.444 0.290 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.207 0.202 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.939 -0.047 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.419 1.214 8.200 1.00 0.00 H new ATOM 1287 N PRO A 679 186.363 5.021 6.233 1.00 0.00 N ATOM 1288 CA PRO A 679 187.643 5.667 5.924 1.00 0.00 C ATOM 1289 C PRO A 679 188.650 5.555 7.064 1.00 0.00 C ATOM 1290 O PRO A 679 188.459 6.127 8.138 1.00 0.00 O ATOM 1291 CB PRO A 679 187.238 7.119 5.694 1.00 0.00 C ATOM 1292 CG PRO A 679 185.876 7.023 5.101 1.00 0.00 C ATOM 1293 CD PRO A 679 185.223 5.817 5.733 1.00 0.00 C ATOM 0 HA PRO A 679 188.146 5.206 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.229 7.683 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 679 187.931 7.625 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.300 7.927 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 679 185.930 6.913 4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.550 6.104 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.631 5.257 5.009 1.00 0.00 H new ATOM 1301 N GLY A 680 189.718 4.804 6.820 1.00 0.00 N ATOM 1302 CA GLY A 680 190.741 4.613 7.831 1.00 0.00 C ATOM 1303 C GLY A 680 190.724 3.211 8.416 1.00 0.00 C ATOM 1304 O GLY A 680 191.652 2.816 9.122 1.00 0.00 O ATOM 0 H GLY A 680 189.894 4.323 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.720 4.810 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.597 5.339 8.631 1.00 0.00 H new ATOM 1308 N ALA A 681 189.667 2.456 8.122 1.00 0.00 N ATOM 1309 CA ALA A 681 189.537 1.095 8.624 1.00 0.00 C ATOM 1310 C ALA A 681 190.053 0.084 7.605 1.00 0.00 C ATOM 1311 O ALA A 681 189.826 0.228 6.403 1.00 0.00 O ATOM 1312 CB ALA A 681 188.087 0.800 8.979 1.00 0.00 C ATOM 0 H ALA A 681 188.890 2.766 7.539 1.00 0.00 H new ATOM 0 HA ALA A 681 190.144 1.005 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.004 -0.221 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.752 1.496 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.465 0.913 8.091 1.00 0.00 H new ATOM 1318 N THR A 682 190.748 -0.937 8.093 1.00 0.00 N ATOM 1319 CA THR A 682 191.299 -1.972 7.224 1.00 0.00 C ATOM 1320 C THR A 682 190.329 -3.144 7.090 1.00 0.00 C ATOM 1321 O THR A 682 189.226 -3.116 7.636 1.00 0.00 O ATOM 1322 CB THR A 682 192.647 -2.455 7.767 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.077 -3.624 7.095 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.620 -2.759 9.248 1.00 0.00 C ATOM 0 H THR A 682 190.944 -1.071 9.085 1.00 0.00 H new ATOM 0 HA THR A 682 191.451 -1.543 6.234 1.00 0.00 H new ATOM 0 HB THR A 682 193.337 -1.629 7.593 1.00 0.00 H new ATOM 0 HG1 THR A 682 193.940 -3.911 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.606 -3.096 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.347 -1.859 9.799 1.00 0.00 H new ATOM 0 HG23 THR A 682 191.887 -3.541 9.446 1.00 0.00 H new ATOM 1332 N ASN A 683 190.745 -4.169 6.352 1.00 0.00 N ATOM 1333 CA ASN A 683 189.916 -5.350 6.132 1.00 0.00 C ATOM 1334 C ASN A 683 189.385 -5.919 7.446 1.00 0.00 C ATOM 1335 O ASN A 683 188.220 -6.307 7.537 1.00 0.00 O ATOM 1336 CB ASN A 683 190.717 -6.425 5.394 1.00 0.00 C ATOM 1337 CG ASN A 683 189.832 -7.516 4.823 1.00 0.00 C ATOM 1338 OD1 ASN A 683 189.579 -8.531 5.473 1.00 0.00 O ATOM 1339 ND2 ASN A 683 189.356 -7.312 3.600 1.00 0.00 N ATOM 0 H ASN A 683 191.656 -4.205 5.894 1.00 0.00 H new ATOM 0 HA ASN A 683 189.063 -5.045 5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 683 191.284 -5.961 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 683 191.440 -6.869 6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 683 188.755 -8.011 3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 683 189.591 -6.456 3.097 1.00 0.00 H new ATOM 1346 N GLU A 684 190.245 -5.975 8.457 1.00 0.00 N ATOM 1347 CA GLU A 684 189.857 -6.510 9.757 1.00 0.00 C ATOM 1348 C GLU A 684 188.840 -5.612 10.447 1.00 0.00 C ATOM 1349 O GLU A 684 187.905 -6.096 11.085 1.00 0.00 O ATOM 1350 CB GLU A 684 191.086 -6.694 10.648 1.00 0.00 C ATOM 1351 CG GLU A 684 191.911 -5.429 10.816 1.00 0.00 C ATOM 1352 CD GLU A 684 193.044 -5.599 11.808 1.00 0.00 C ATOM 1353 OE1 GLU A 684 192.981 -6.540 12.628 1.00 0.00 O ATOM 1354 OE2 GLU A 684 193.996 -4.791 11.767 1.00 0.00 O ATOM 0 H GLU A 684 191.213 -5.657 8.402 1.00 0.00 H new ATOM 0 HA GLU A 684 189.391 -7.481 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 684 190.764 -7.041 11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.717 -7.476 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 684 192.320 -5.136 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.262 -4.618 11.147 1.00 0.00 H new ATOM 1361 N GLU A 685 189.015 -4.303 10.309 1.00 0.00 N ATOM 1362 CA GLU A 685 188.093 -3.355 10.919 1.00 0.00 C ATOM 1363 C GLU A 685 186.703 -3.535 10.325 1.00 0.00 C ATOM 1364 O GLU A 685 185.746 -3.837 11.037 1.00 0.00 O ATOM 1365 CB GLU A 685 188.581 -1.920 10.711 1.00 0.00 C ATOM 1366 CG GLU A 685 188.671 -1.120 12.001 1.00 0.00 C ATOM 1367 CD GLU A 685 190.087 -1.039 12.539 1.00 0.00 C ATOM 1368 OE1 GLU A 685 191.034 -1.102 11.728 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.247 -0.909 13.771 1.00 0.00 O ATOM 0 H GLU A 685 189.780 -3.878 9.785 1.00 0.00 H new ATOM 0 HA GLU A 685 188.049 -3.546 11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.562 -1.943 10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 685 187.906 -1.411 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 685 188.294 -0.112 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 685 188.026 -1.575 12.753 1.00 0.00 H new ATOM 1376 N VAL A 686 186.606 -3.368 9.009 1.00 0.00 N ATOM 1377 CA VAL A 686 185.342 -3.532 8.306 1.00 0.00 C ATOM 1378 C VAL A 686 184.693 -4.865 8.666 1.00 0.00 C ATOM 1379 O VAL A 686 183.484 -4.941 8.890 1.00 0.00 O ATOM 1380 CB VAL A 686 185.543 -3.459 6.778 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.244 -3.754 6.042 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.093 -2.098 6.377 1.00 0.00 C ATOM 0 H VAL A 686 187.392 -3.118 8.408 1.00 0.00 H new ATOM 0 HA VAL A 686 184.688 -2.717 8.616 1.00 0.00 H new ATOM 0 HB VAL A 686 186.269 -4.221 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.414 -3.696 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 686 183.898 -4.755 6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.489 -3.023 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.229 -2.064 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.393 -1.319 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.052 -1.934 6.868 1.00 0.00 H new ATOM 1392 N TYR A 687 185.508 -5.915 8.722 1.00 0.00 N ATOM 1393 CA TYR A 687 185.021 -7.250 9.058 1.00 0.00 C ATOM 1394 C TYR A 687 184.123 -7.208 10.289 1.00 0.00 C ATOM 1395 O TYR A 687 183.056 -7.820 10.313 1.00 0.00 O ATOM 1396 CB TYR A 687 186.197 -8.199 9.300 1.00 0.00 C ATOM 1397 CG TYR A 687 186.633 -8.970 8.070 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.508 -8.423 6.797 1.00 0.00 C ATOM 1399 CD2 TYR A 687 187.173 -10.244 8.185 1.00 0.00 C ATOM 1400 CE1 TYR A 687 186.908 -9.126 5.676 1.00 0.00 C ATOM 1401 CE2 TYR A 687 187.574 -10.953 7.068 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.441 -10.390 5.817 1.00 0.00 C ATOM 1403 OH TYR A 687 187.843 -11.093 4.703 1.00 0.00 O ATOM 0 H TYR A 687 186.510 -5.867 8.539 1.00 0.00 H new ATOM 0 HA TYR A 687 184.434 -7.618 8.216 1.00 0.00 H new ATOM 0 HB2 TYR A 687 187.044 -7.623 9.674 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.923 -8.908 10.082 1.00 0.00 H new ATOM 0 HD1 TYR A 687 186.092 -7.433 6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 687 187.282 -10.688 9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 687 186.804 -8.687 4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 687 187.990 -11.944 7.175 1.00 0.00 H new ATOM 0 HH TYR A 687 187.233 -10.904 3.959 1.00 0.00 H new ATOM 1413 N ASN A 688 184.563 -6.477 11.305 1.00 0.00 N ATOM 1414 CA ASN A 688 183.798 -6.347 12.540 1.00 0.00 C ATOM 1415 C ASN A 688 182.573 -5.463 12.329 1.00 0.00 C ATOM 1416 O ASN A 688 181.497 -5.736 12.862 1.00 0.00 O ATOM 1417 CB ASN A 688 184.676 -5.767 13.650 1.00 0.00 C ATOM 1418 CG ASN A 688 185.797 -6.707 14.051 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.564 -7.881 14.341 1.00 0.00 O ATOM 1420 ND2 ASN A 688 187.021 -6.194 14.071 1.00 0.00 N ATOM 0 H ASN A 688 185.445 -5.965 11.299 1.00 0.00 H new ATOM 0 HA ASN A 688 183.461 -7.340 12.836 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.101 -4.820 13.316 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.059 -5.549 14.522 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.815 -6.778 14.334 1.00 0.00 H new ATOM 0 HD22 ASN A 688 187.168 -5.216 13.823 1.00 0.00 H new ATOM 1427 N ILE A 689 182.744 -4.403 11.545 1.00 0.00 N ATOM 1428 CA ILE A 689 181.653 -3.478 11.260 1.00 0.00 C ATOM 1429 C ILE A 689 180.501 -4.194 10.557 1.00 0.00 C ATOM 1430 O ILE A 689 179.384 -4.246 11.073 1.00 0.00 O ATOM 1431 CB ILE A 689 182.140 -2.294 10.390 1.00 0.00 C ATOM 1432 CG1 ILE A 689 182.887 -1.276 11.253 1.00 0.00 C ATOM 1433 CG2 ILE A 689 180.976 -1.621 9.671 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.377 -1.520 11.327 1.00 0.00 C ATOM 0 H ILE A 689 183.628 -4.163 11.096 1.00 0.00 H new ATOM 0 HA ILE A 689 181.297 -3.088 12.214 1.00 0.00 H new ATOM 0 HB ILE A 689 182.820 -2.688 9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.711 -0.277 10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.474 -1.295 12.262 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.350 -0.793 9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.480 -2.345 9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.265 -1.243 10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 689 184.839 -0.759 11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.564 -2.506 11.753 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.804 -1.471 10.325 1.00 0.00 H new ATOM 1446 N ILE A 690 180.779 -4.737 9.376 1.00 0.00 N ATOM 1447 CA ILE A 690 179.765 -5.441 8.601 1.00 0.00 C ATOM 1448 C ILE A 690 179.116 -6.556 9.418 1.00 0.00 C ATOM 1449 O ILE A 690 177.891 -6.625 9.520 1.00 0.00 O ATOM 1450 CB ILE A 690 180.358 -6.030 7.304 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.010 -4.914 6.478 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.277 -6.745 6.502 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.347 -5.308 5.054 1.00 0.00 C ATOM 0 H ILE A 690 181.698 -4.703 8.935 1.00 0.00 H new ATOM 0 HA ILE A 690 179.002 -4.708 8.338 1.00 0.00 H new ATOM 0 HB ILE A 690 181.123 -6.763 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.339 -4.055 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 690 181.923 -4.593 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.712 -7.155 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 690 178.856 -7.554 7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.489 -6.038 6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.804 -4.462 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 690 182.044 -6.146 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.436 -5.600 4.532 1.00 0.00 H new ATOM 1465 N LEU A 691 179.938 -7.424 10.000 1.00 0.00 N ATOM 1466 CA LEU A 691 179.430 -8.529 10.807 1.00 0.00 C ATOM 1467 C LEU A 691 178.477 -8.024 11.882 1.00 0.00 C ATOM 1468 O LEU A 691 177.377 -8.547 12.052 1.00 0.00 O ATOM 1469 CB LEU A 691 180.591 -9.291 11.451 1.00 0.00 C ATOM 1470 CG LEU A 691 181.099 -10.502 10.662 1.00 0.00 C ATOM 1471 CD1 LEU A 691 180.902 -10.301 9.165 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.564 -10.757 10.976 1.00 0.00 C ATOM 0 H LEU A 691 180.955 -7.384 9.929 1.00 0.00 H new ATOM 0 HA LEU A 691 178.881 -9.204 10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.421 -8.600 11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.279 -9.628 12.440 1.00 0.00 H new ATOM 0 HG LEU A 691 180.518 -11.374 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.271 -11.175 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 691 179.841 -10.166 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.452 -9.418 8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 691 182.913 -11.620 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.153 -9.881 10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.679 -10.953 12.042 1.00 0.00 H new ATOM 1484 N GLU A 692 178.906 -6.998 12.598 1.00 0.00 N ATOM 1485 CA GLU A 692 178.092 -6.410 13.654 1.00 0.00 C ATOM 1486 C GLU A 692 176.817 -5.801 13.078 1.00 0.00 C ATOM 1487 O GLU A 692 175.817 -5.653 13.780 1.00 0.00 O ATOM 1488 CB GLU A 692 178.888 -5.339 14.402 1.00 0.00 C ATOM 1489 CG GLU A 692 179.863 -5.907 15.422 1.00 0.00 C ATOM 1490 CD GLU A 692 179.861 -5.132 16.725 1.00 0.00 C ATOM 1491 OE1 GLU A 692 179.835 -3.884 16.674 1.00 0.00 O ATOM 1492 OE2 GLU A 692 179.884 -5.773 17.796 1.00 0.00 O ATOM 0 H GLU A 692 179.815 -6.553 12.468 1.00 0.00 H new ATOM 0 HA GLU A 692 177.815 -7.201 14.351 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.440 -4.738 13.680 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.193 -4.670 14.909 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.608 -6.948 15.622 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.868 -5.900 15.001 1.00 0.00 H new ATOM 1499 N SER A 693 176.864 -5.442 11.798 1.00 0.00 N ATOM 1500 CA SER A 693 175.716 -4.840 11.129 1.00 0.00 C ATOM 1501 C SER A 693 174.917 -5.874 10.332 1.00 0.00 C ATOM 1502 O SER A 693 173.831 -5.574 9.837 1.00 0.00 O ATOM 1503 CB SER A 693 176.177 -3.716 10.201 1.00 0.00 C ATOM 1504 OG SER A 693 176.981 -2.778 10.899 1.00 0.00 O ATOM 0 H SER A 693 177.685 -5.558 11.204 1.00 0.00 H new ATOM 0 HA SER A 693 175.063 -4.433 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.741 -4.136 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 693 175.309 -3.212 9.776 1.00 0.00 H new ATOM 0 HG SER A 693 177.879 -3.148 11.027 1.00 0.00 H new ATOM 1510 N LYS A 694 175.451 -7.087 10.209 1.00 0.00 N ATOM 1511 CA LYS A 694 174.765 -8.143 9.470 1.00 0.00 C ATOM 1512 C LYS A 694 173.590 -8.710 10.270 1.00 0.00 C ATOM 1513 O LYS A 694 172.815 -9.519 9.758 1.00 0.00 O ATOM 1514 CB LYS A 694 175.744 -9.263 9.099 1.00 0.00 C ATOM 1515 CG LYS A 694 176.136 -10.153 10.269 1.00 0.00 C ATOM 1516 CD LYS A 694 175.636 -11.577 10.084 1.00 0.00 C ATOM 1517 CE LYS A 694 176.625 -12.592 10.636 1.00 0.00 C ATOM 1518 NZ LYS A 694 175.975 -13.550 11.573 1.00 0.00 N ATOM 0 H LYS A 694 176.349 -7.361 10.608 1.00 0.00 H new ATOM 0 HA LYS A 694 174.369 -7.704 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 694 175.296 -9.880 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 694 176.645 -8.819 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 694 177.221 -10.159 10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 694 175.728 -9.741 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 694 174.675 -11.694 10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 694 175.468 -11.770 9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 694 177.078 -13.142 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 694 177.431 -12.070 11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 176.683 -14.225 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 175.564 -13.028 12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 175.223 -14.067 11.074 1.00 0.00 H new ATOM 1532 N SER A 695 173.460 -8.283 11.524 1.00 0.00 N ATOM 1533 CA SER A 695 172.378 -8.751 12.382 1.00 0.00 C ATOM 1534 C SER A 695 171.251 -7.723 12.457 1.00 0.00 C ATOM 1535 O SER A 695 170.111 -8.062 12.775 1.00 0.00 O ATOM 1536 CB SER A 695 172.905 -9.047 13.788 1.00 0.00 C ATOM 1537 OG SER A 695 174.027 -8.237 14.093 1.00 0.00 O ATOM 0 H SER A 695 174.090 -7.615 11.967 1.00 0.00 H new ATOM 0 HA SER A 695 171.979 -9.668 11.948 1.00 0.00 H new ATOM 0 HB2 SER A 695 172.116 -8.872 14.520 1.00 0.00 H new ATOM 0 HB3 SER A 695 173.181 -10.099 13.862 1.00 0.00 H new ATOM 0 HG SER A 695 174.344 -8.444 14.997 1.00 0.00 H new ATOM 1543 N GLU A 696 171.575 -6.467 12.165 1.00 0.00 N ATOM 1544 CA GLU A 696 170.587 -5.394 12.203 1.00 0.00 C ATOM 1545 C GLU A 696 169.477 -5.639 11.184 1.00 0.00 C ATOM 1546 O GLU A 696 169.681 -6.331 10.186 1.00 0.00 O ATOM 1547 CB GLU A 696 171.257 -4.046 11.933 1.00 0.00 C ATOM 1548 CG GLU A 696 172.324 -3.684 12.952 1.00 0.00 C ATOM 1549 CD GLU A 696 172.540 -2.187 13.063 1.00 0.00 C ATOM 1550 OE1 GLU A 696 171.634 -1.425 12.667 1.00 0.00 O ATOM 1551 OE2 GLU A 696 173.617 -1.778 13.546 1.00 0.00 O ATOM 0 H GLU A 696 172.513 -6.167 11.900 1.00 0.00 H new ATOM 0 HA GLU A 696 170.143 -5.377 13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 696 171.706 -4.065 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.495 -3.266 11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 696 172.039 -4.080 13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 696 173.263 -4.163 12.675 1.00 0.00 H new ATOM 1558 N PRO A 697 168.281 -5.075 11.425 1.00 0.00 N ATOM 1559 CA PRO A 697 167.135 -5.236 10.526 1.00 0.00 C ATOM 1560 C PRO A 697 167.291 -4.448 9.228 1.00 0.00 C ATOM 1561 O PRO A 697 166.533 -4.647 8.278 1.00 0.00 O ATOM 1562 CB PRO A 697 165.966 -4.689 11.344 1.00 0.00 C ATOM 1563 CG PRO A 697 166.583 -3.704 12.273 1.00 0.00 C ATOM 1564 CD PRO A 697 167.952 -4.237 12.595 1.00 0.00 C ATOM 0 HA PRO A 697 167.009 -6.272 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.221 -4.217 10.703 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.458 -5.484 11.890 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.647 -2.719 11.811 1.00 0.00 H new ATOM 0 HG3 PRO A 697 165.985 -3.593 13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.675 -3.432 12.728 1.00 0.00 H new ATOM 0 HD3 PRO A 697 167.949 -4.818 13.517 1.00 0.00 H new ATOM 1572 N GLN A 698 168.273 -3.553 9.190 1.00 0.00 N ATOM 1573 CA GLN A 698 168.518 -2.740 8.005 1.00 0.00 C ATOM 1574 C GLN A 698 169.975 -2.292 7.942 1.00 0.00 C ATOM 1575 O GLN A 698 170.698 -2.350 8.937 1.00 0.00 O ATOM 1576 CB GLN A 698 167.596 -1.519 7.999 1.00 0.00 C ATOM 1577 CG GLN A 698 167.670 -0.708 6.715 1.00 0.00 C ATOM 1578 CD GLN A 698 166.643 0.408 6.671 1.00 0.00 C ATOM 1579 OE1 GLN A 698 167.072 1.619 7.006 1.00 0.00 O flip ATOM 1580 NE2 GLN A 698 165.479 0.183 6.339 1.00 0.00 N flip ATOM 0 H GLN A 698 168.911 -3.373 9.965 1.00 0.00 H new ATOM 0 HA GLN A 698 168.307 -3.351 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.568 -1.849 8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.853 -0.876 8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.668 -0.282 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 698 167.519 -1.370 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 698 165.194 -0.764 6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 698 164.800 0.944 6.313 1.00 0.00 H new ATOM 1589 N VAL A 699 170.399 -1.853 6.763 1.00 0.00 N ATOM 1590 CA VAL A 699 171.769 -1.403 6.559 1.00 0.00 C ATOM 1591 C VAL A 699 171.809 -0.112 5.746 1.00 0.00 C ATOM 1592 O VAL A 699 171.037 0.069 4.804 1.00 0.00 O ATOM 1593 CB VAL A 699 172.608 -2.480 5.839 1.00 0.00 C ATOM 1594 CG1 VAL A 699 173.997 -1.956 5.494 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.704 -3.736 6.693 1.00 0.00 C ATOM 0 H VAL A 699 169.811 -1.799 5.931 1.00 0.00 H new ATOM 0 HA VAL A 699 172.195 -1.218 7.545 1.00 0.00 H new ATOM 0 HB VAL A 699 172.106 -2.732 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.565 -2.737 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 699 173.907 -1.090 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.514 -1.666 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.299 -4.486 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.178 -3.494 7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.704 -4.129 6.876 1.00 0.00 H new ATOM 1605 N GLU A 700 172.726 0.775 6.112 1.00 0.00 N ATOM 1606 CA GLU A 700 172.891 2.046 5.419 1.00 0.00 C ATOM 1607 C GLU A 700 174.321 2.180 4.913 1.00 0.00 C ATOM 1608 O GLU A 700 175.246 2.400 5.694 1.00 0.00 O ATOM 1609 CB GLU A 700 172.552 3.209 6.353 1.00 0.00 C ATOM 1610 CG GLU A 700 172.193 4.492 5.622 1.00 0.00 C ATOM 1611 CD GLU A 700 171.358 5.432 6.470 1.00 0.00 C ATOM 1612 OE1 GLU A 700 170.703 4.951 7.420 1.00 0.00 O ATOM 1613 OE2 GLU A 700 171.359 6.647 6.185 1.00 0.00 O ATOM 0 H GLU A 700 173.371 0.636 6.890 1.00 0.00 H new ATOM 0 HA GLU A 700 172.210 2.073 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.718 2.919 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.403 3.399 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.108 5.000 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.646 4.246 4.712 1.00 0.00 H new ATOM 1620 N ILE A 701 174.504 2.034 3.604 1.00 0.00 N ATOM 1621 CA ILE A 701 175.831 2.128 3.009 1.00 0.00 C ATOM 1622 C ILE A 701 175.943 3.324 2.076 1.00 0.00 C ATOM 1623 O ILE A 701 175.051 3.589 1.272 1.00 0.00 O ATOM 1624 CB ILE A 701 176.205 0.849 2.231 1.00 0.00 C ATOM 1625 CG1 ILE A 701 174.959 0.205 1.614 1.00 0.00 C ATOM 1626 CG2 ILE A 701 176.923 -0.130 3.148 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.229 -1.124 0.943 1.00 0.00 C ATOM 0 H ILE A 701 173.753 1.851 2.938 1.00 0.00 H new ATOM 0 HA ILE A 701 176.527 2.253 3.839 1.00 0.00 H new ATOM 0 HB ILE A 701 176.879 1.120 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.211 0.063 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.531 0.891 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.182 -1.029 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.832 0.332 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.270 -0.396 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.301 -1.518 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 701 175.953 -0.986 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.628 -1.827 1.675 1.00 0.00 H new ATOM 1639 N ILE A 702 177.053 4.041 2.194 1.00 0.00 N ATOM 1640 CA ILE A 702 177.300 5.214 1.367 1.00 0.00 C ATOM 1641 C ILE A 702 178.499 4.985 0.455 1.00 0.00 C ATOM 1642 O ILE A 702 179.464 4.327 0.842 1.00 0.00 O ATOM 1643 CB ILE A 702 177.545 6.466 2.231 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.541 6.525 3.390 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.457 7.726 1.383 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.096 6.392 2.958 1.00 0.00 C ATOM 0 H ILE A 702 177.799 3.829 2.857 1.00 0.00 H new ATOM 0 HA ILE A 702 176.410 5.378 0.759 1.00 0.00 H new ATOM 0 HB ILE A 702 178.550 6.404 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.773 5.730 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.666 7.470 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.633 8.600 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.209 7.688 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.466 7.795 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.448 6.443 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.845 7.202 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 702 174.953 5.435 2.456 1.00 0.00 H new ATOM 1658 N VAL A 703 178.431 5.521 -0.759 1.00 0.00 N ATOM 1659 CA VAL A 703 179.512 5.359 -1.723 1.00 0.00 C ATOM 1660 C VAL A 703 179.953 6.697 -2.306 1.00 0.00 C ATOM 1661 O VAL A 703 179.405 7.747 -1.969 1.00 0.00 O ATOM 1662 CB VAL A 703 179.099 4.427 -2.875 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.055 2.984 -2.402 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.755 4.850 -3.449 1.00 0.00 C ATOM 0 H VAL A 703 177.641 6.070 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 703 180.346 4.916 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 703 179.845 4.503 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.761 2.339 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.041 2.688 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.331 2.888 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.479 4.179 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 703 176.996 4.805 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 703 177.826 5.870 -3.828 1.00 0.00 H new ATOM 1674 N SER A 704 180.950 6.646 -3.184 1.00 0.00 N ATOM 1675 CA SER A 704 181.473 7.848 -3.822 1.00 0.00 C ATOM 1676 C SER A 704 181.999 7.537 -5.220 1.00 0.00 C ATOM 1677 O SER A 704 182.645 6.512 -5.436 1.00 0.00 O ATOM 1678 CB SER A 704 182.588 8.458 -2.970 1.00 0.00 C ATOM 1679 OG SER A 704 183.124 9.617 -3.584 1.00 0.00 O ATOM 0 H SER A 704 181.412 5.783 -3.470 1.00 0.00 H new ATOM 0 HA SER A 704 180.658 8.566 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 704 182.199 8.712 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 704 183.379 7.723 -2.821 1.00 0.00 H new ATOM 0 HG SER A 704 183.833 9.988 -3.019 1.00 0.00 H new ATOM 1741 N GLY B 945 186.352 -9.818 0.102 1.00 0.00 N ATOM 1742 CA GLY B 945 186.565 -9.534 1.508 1.00 0.00 C ATOM 1743 C GLY B 945 185.470 -10.097 2.395 1.00 0.00 C ATOM 1744 O GLY B 945 185.739 -10.912 3.277 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.525 -9.949 1.816 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.623 -8.455 1.651 1.00 0.00 H new ATOM 1748 N ILE B 946 184.235 -9.655 2.173 1.00 0.00 N ATOM 1749 CA ILE B 946 183.110 -10.119 2.976 1.00 0.00 C ATOM 1750 C ILE B 946 181.860 -10.308 2.134 1.00 0.00 C ATOM 1751 O ILE B 946 181.715 -9.718 1.062 1.00 0.00 O ATOM 1752 CB ILE B 946 182.779 -9.151 4.133 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.880 -8.106 4.298 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.583 -9.924 5.431 1.00 0.00 C ATOM 1755 CD1 ILE B 946 183.674 -7.222 5.503 1.00 0.00 C ATOM 0 H ILE B 946 183.990 -8.980 1.448 1.00 0.00 H new ATOM 0 HA ILE B 946 183.420 -11.078 3.392 1.00 0.00 H new ATOM 0 HB ILE B 946 181.851 -8.634 3.890 1.00 0.00 H new ATOM 0 HG12 ILE B 946 184.843 -8.610 4.384 1.00 0.00 H new ATOM 0 HG13 ILE B 946 183.923 -7.486 3.402 1.00 0.00 H new ATOM 0 HG21 ILE B 946 182.350 -9.228 6.237 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.762 -10.631 5.313 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.497 -10.467 5.673 1.00 0.00 H new ATOM 0 HD11 ILE B 946 184.488 -6.500 5.568 1.00 0.00 H new ATOM 0 HD12 ILE B 946 182.726 -6.693 5.408 1.00 0.00 H new ATOM 0 HD13 ILE B 946 183.659 -7.834 6.405 1.00 0.00 H new ATOM 1767 N TRP B 947 180.950 -11.125 2.644 1.00 0.00 N ATOM 1768 CA TRP B 947 179.692 -11.393 1.964 1.00 0.00 C ATOM 1769 C TRP B 947 178.617 -10.443 2.464 1.00 0.00 C ATOM 1770 O TRP B 947 178.340 -10.378 3.663 1.00 0.00 O ATOM 1771 CB TRP B 947 179.265 -12.849 2.169 1.00 0.00 C ATOM 1772 CG TRP B 947 179.456 -13.688 0.941 1.00 0.00 C ATOM 1773 CD1 TRP B 947 180.060 -14.910 0.865 1.00 0.00 C ATOM 1774 CD2 TRP B 947 179.048 -13.359 -0.391 1.00 0.00 C ATOM 1775 NE1 TRP B 947 180.050 -15.361 -0.433 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.434 -14.425 -1.223 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.390 -12.265 -0.961 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.185 -14.427 -2.595 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.144 -12.268 -2.320 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.540 -13.344 -3.123 1.00 0.00 C ATOM 0 H TRP B 947 181.061 -11.616 3.531 1.00 0.00 H new ATOM 0 HA TRP B 947 179.832 -11.231 0.895 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.838 -13.279 2.990 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.216 -12.877 2.464 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.484 -15.444 1.703 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.438 -16.247 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.079 -11.431 -0.349 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.491 -15.255 -3.218 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.638 -11.427 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.331 -13.318 -4.182 1.00 0.00 H new ATOM 1791 N ALA B 948 178.022 -9.695 1.543 1.00 0.00 N ATOM 1792 CA ALA B 948 176.988 -8.739 1.893 1.00 0.00 C ATOM 1793 C ALA B 948 176.030 -8.511 0.729 1.00 0.00 C ATOM 1794 O ALA B 948 175.438 -9.495 0.245 1.00 0.00 O ATOM 1795 CB ALA B 948 177.627 -7.428 2.324 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.882 -7.346 0.304 1.00 0.00 O ATOM 0 H ALA B 948 178.241 -9.735 0.548 1.00 0.00 H new ATOM 0 HA ALA B 948 176.408 -9.145 2.722 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.848 -6.712 2.586 1.00 0.00 H new ATOM 0 HB2 ALA B 948 178.266 -7.602 3.190 1.00 0.00 H new ATOM 0 HB3 ALA B 948 178.226 -7.029 1.505 1.00 0.00 H new