USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 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 682 THR OG1 : rot 180:sc= -0.938! USER MOD Set 1.2: A 683 ASN : amide:sc= -0.699 K(o=-1.6,f=-5.7!) USER MOD Set 2.1: A 674 ASN :FLIP amide:sc= -1.16 F(o=-3.9,f=-2.5) USER MOD Set 2.2: A 693 SER OG : rot 76:sc= -1.3 USER MOD Set 3.1: A 617 ASN : amide:sc= -2.56 K(o=-3.2,f=-3.9!) USER MOD Set 3.2: A 698 GLN : amide:sc= -0.665 K(o=-3.2,f=-3.9) USER MOD Single : A 618 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.11) USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot -88:sc= -2.24 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 LYS NZ :NH3+ -151:sc= -0.21 (180deg=-1) USER MOD Single : A 656 SER OG : rot -160:sc= -0.886 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 676 LYS NZ :NH3+ 162:sc= -0.0127 (180deg=-0.103) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 SER OG : rot 180:sc= 0 USER MOD Single : A 704 SER OG : rot 1:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.176 9.551 -2.285 1.00 0.00 N ATOM 248 CA GLY A 612 174.795 9.134 -2.121 1.00 0.00 C ATOM 249 C GLY A 612 174.603 8.235 -0.915 1.00 0.00 C ATOM 250 O GLY A 612 175.563 7.666 -0.399 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.162 10.015 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.468 8.609 -3.018 1.00 0.00 H new ATOM 254 N ARG A 613 173.357 8.096 -0.474 1.00 0.00 N ATOM 255 CA ARG A 613 173.043 7.248 0.671 1.00 0.00 C ATOM 256 C ARG A 613 172.356 5.968 0.207 1.00 0.00 C ATOM 257 O ARG A 613 171.287 6.018 -0.401 1.00 0.00 O ATOM 258 CB ARG A 613 172.145 7.994 1.660 1.00 0.00 C ATOM 259 CG ARG A 613 172.766 9.274 2.199 1.00 0.00 C ATOM 260 CD ARG A 613 171.993 9.809 3.394 1.00 0.00 C ATOM 261 NE ARG A 613 170.916 10.713 2.991 1.00 0.00 N ATOM 262 CZ ARG A 613 169.684 10.312 2.683 1.00 0.00 C ATOM 263 NH1 ARG A 613 169.365 9.024 2.718 1.00 0.00 N ATOM 264 NH2 ARG A 613 168.767 11.204 2.334 1.00 0.00 N ATOM 0 H ARG A 613 172.549 8.559 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 613 173.975 6.988 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 613 171.202 8.236 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 613 171.911 7.334 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 613 173.800 9.084 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 613 172.789 10.028 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 613 171.574 8.975 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 613 172.676 10.334 4.062 1.00 0.00 H new ATOM 0 HE ARG A 613 171.121 11.711 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 613 170.066 8.332 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 613 168.419 8.726 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 613 169.006 12.195 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 613 167.823 10.899 2.098 1.00 0.00 H new ATOM 278 N VAL A 614 172.979 4.823 0.477 1.00 0.00 N ATOM 279 CA VAL A 614 172.417 3.547 0.061 1.00 0.00 C ATOM 280 C VAL A 614 171.908 2.742 1.250 1.00 0.00 C ATOM 281 O VAL A 614 172.672 2.380 2.143 1.00 0.00 O ATOM 282 CB VAL A 614 173.451 2.710 -0.719 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.850 1.388 -1.179 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.988 3.501 -1.904 1.00 0.00 C ATOM 0 H VAL A 614 173.865 4.756 0.978 1.00 0.00 H new ATOM 0 HA VAL A 614 171.575 3.773 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 614 174.281 2.483 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.601 0.818 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.522 0.816 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.997 1.583 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.717 2.897 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 614 173.166 3.761 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.467 4.413 -1.546 1.00 0.00 H new ATOM 294 N ILE A 615 170.610 2.459 1.245 1.00 0.00 N ATOM 295 CA ILE A 615 169.991 1.686 2.315 1.00 0.00 C ATOM 296 C ILE A 615 169.674 0.276 1.835 1.00 0.00 C ATOM 297 O ILE A 615 168.914 0.092 0.884 1.00 0.00 O ATOM 298 CB ILE A 615 168.693 2.346 2.826 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.771 3.870 2.696 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.434 1.947 4.271 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.932 4.481 3.449 1.00 0.00 C ATOM 0 H ILE A 615 169.966 2.754 0.511 1.00 0.00 H new ATOM 0 HA ILE A 615 170.706 1.649 3.137 1.00 0.00 H new ATOM 0 HB ILE A 615 167.863 1.995 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.853 4.133 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.841 4.306 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.516 2.419 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.333 0.864 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.268 2.272 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.925 5.562 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.840 4.249 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.868 4.073 3.068 1.00 0.00 H new ATOM 313 N LEU A 616 170.263 -0.717 2.489 1.00 0.00 N ATOM 314 CA LEU A 616 170.044 -2.108 2.118 1.00 0.00 C ATOM 315 C LEU A 616 169.475 -2.904 3.288 1.00 0.00 C ATOM 316 O LEU A 616 169.752 -2.603 4.447 1.00 0.00 O ATOM 317 CB LEU A 616 171.353 -2.735 1.633 1.00 0.00 C ATOM 318 CG LEU A 616 171.416 -2.997 0.129 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.825 -3.381 -0.297 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.427 -4.083 -0.258 1.00 0.00 C ATOM 0 H LEU A 616 170.895 -0.585 3.278 1.00 0.00 H new ATOM 0 HA LEU A 616 169.316 -2.135 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.179 -2.079 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.506 -3.677 2.159 1.00 0.00 H new ATOM 0 HG LEU A 616 171.146 -2.078 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.843 -3.562 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.512 -2.571 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 616 173.130 -4.286 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.482 -4.260 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.670 -5.003 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.418 -3.767 0.006 1.00 0.00 H new ATOM 332 N ASN A 617 168.675 -3.919 2.976 1.00 0.00 N ATOM 333 CA ASN A 617 168.064 -4.753 4.004 1.00 0.00 C ATOM 334 C ASN A 617 168.223 -6.232 3.674 1.00 0.00 C ATOM 335 O ASN A 617 168.076 -6.640 2.523 1.00 0.00 O ATOM 336 CB ASN A 617 166.580 -4.411 4.145 1.00 0.00 C ATOM 337 CG ASN A 617 166.356 -3.050 4.774 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.658 -2.018 4.174 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.822 -3.042 5.990 1.00 0.00 N ATOM 0 H ASN A 617 168.435 -4.183 2.020 1.00 0.00 H new ATOM 0 HA ASN A 617 168.572 -4.554 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.110 -4.435 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 617 166.091 -5.173 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.647 -2.156 6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 617 165.587 -3.922 6.450 1.00 0.00 H new ATOM 346 N LYS A 618 168.528 -7.032 4.690 1.00 0.00 N ATOM 347 CA LYS A 618 168.706 -8.467 4.504 1.00 0.00 C ATOM 348 C LYS A 618 167.469 -9.233 4.963 1.00 0.00 C ATOM 349 O LYS A 618 167.141 -10.286 4.418 1.00 0.00 O ATOM 350 CB LYS A 618 169.932 -8.957 5.278 1.00 0.00 C ATOM 351 CG LYS A 618 171.143 -8.049 5.143 1.00 0.00 C ATOM 352 CD LYS A 618 172.078 -8.192 6.334 1.00 0.00 C ATOM 353 CE LYS A 618 173.184 -9.197 6.055 1.00 0.00 C ATOM 354 NZ LYS A 618 172.936 -10.498 6.736 1.00 0.00 N ATOM 0 H LYS A 618 168.657 -6.711 5.650 1.00 0.00 H new ATOM 0 HA LYS A 618 168.856 -8.652 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 618 169.672 -9.047 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 618 170.196 -9.955 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.680 -8.290 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.815 -7.013 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.517 -7.223 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.509 -8.508 7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 618 173.265 -9.359 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 618 174.138 -8.789 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 173.772 -11.108 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 172.750 -10.331 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 172.113 -10.964 6.304 1.00 0.00 H new ATOM 516 N LEU A 629 172.754 -12.233 1.667 1.00 0.00 N ATOM 517 CA LEU A 629 172.853 -11.137 2.629 1.00 0.00 C ATOM 518 C LEU A 629 171.939 -9.973 2.238 1.00 0.00 C ATOM 519 O LEU A 629 170.827 -9.852 2.751 1.00 0.00 O ATOM 520 CB LEU A 629 174.305 -10.652 2.766 1.00 0.00 C ATOM 521 CG LEU A 629 175.394 -11.690 2.466 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.162 -12.972 3.245 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.481 -11.976 0.973 1.00 0.00 C ATOM 0 HA LEU A 629 172.525 -11.519 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.447 -9.802 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.450 -10.286 3.783 1.00 0.00 H new ATOM 0 HG LEU A 629 176.347 -11.269 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 629 175.950 -13.688 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.174 -12.756 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.195 -13.394 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.261 -12.715 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.525 -12.362 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.720 -11.056 0.440 1.00 0.00 H new ATOM 535 N LEU A 630 172.408 -9.122 1.327 1.00 0.00 N ATOM 536 CA LEU A 630 171.618 -7.978 0.874 1.00 0.00 C ATOM 537 C LEU A 630 171.603 -7.893 -0.653 1.00 0.00 C ATOM 538 O LEU A 630 170.535 -7.781 -1.254 1.00 0.00 O ATOM 539 CB LEU A 630 172.138 -6.664 1.478 1.00 0.00 C ATOM 540 CG LEU A 630 173.591 -6.690 1.940 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.213 -5.304 1.854 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.695 -7.235 3.353 1.00 0.00 C ATOM 0 H LEU A 630 173.326 -9.202 0.890 1.00 0.00 H new ATOM 0 HA LEU A 630 170.596 -8.129 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.023 -5.872 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.508 -6.399 2.328 1.00 0.00 H new ATOM 0 HG LEU A 630 174.145 -7.352 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.249 -5.349 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.180 -4.954 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.656 -4.615 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.740 -7.245 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 630 173.122 -6.602 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.298 -8.250 3.382 1.00 0.00 H new ATOM 554 N GLY A 631 172.779 -7.965 -1.289 1.00 0.00 N ATOM 555 CA GLY A 631 172.808 -7.910 -2.743 1.00 0.00 C ATOM 556 C GLY A 631 174.155 -7.553 -3.367 1.00 0.00 C ATOM 557 O GLY A 631 174.214 -7.298 -4.570 1.00 0.00 O ATOM 0 H GLY A 631 173.687 -8.058 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.495 -8.879 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.070 -7.180 -3.075 1.00 0.00 H new ATOM 561 N LEU A 632 175.241 -7.536 -2.592 1.00 0.00 N ATOM 562 CA LEU A 632 176.549 -7.208 -3.168 1.00 0.00 C ATOM 563 C LEU A 632 177.708 -7.680 -2.291 1.00 0.00 C ATOM 564 O LEU A 632 177.579 -7.806 -1.081 1.00 0.00 O ATOM 565 CB LEU A 632 176.654 -5.698 -3.461 1.00 0.00 C ATOM 566 CG LEU A 632 176.793 -4.756 -2.253 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.604 -4.872 -1.313 1.00 0.00 C ATOM 568 CD2 LEU A 632 178.092 -5.009 -1.507 1.00 0.00 C ATOM 0 H LEU A 632 175.246 -7.739 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 632 176.628 -7.750 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.512 -5.539 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.768 -5.400 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 632 176.814 -3.737 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.738 -4.192 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.691 -4.612 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.530 -5.895 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.163 -4.329 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 632 178.112 -6.038 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.935 -4.842 -2.177 1.00 0.00 H new ATOM 580 N LYS A 633 178.856 -7.921 -2.912 1.00 0.00 N ATOM 581 CA LYS A 633 180.043 -8.356 -2.183 1.00 0.00 C ATOM 582 C LYS A 633 181.028 -7.200 -2.065 1.00 0.00 C ATOM 583 O LYS A 633 181.314 -6.521 -3.049 1.00 0.00 O ATOM 584 CB LYS A 633 180.700 -9.544 -2.888 1.00 0.00 C ATOM 585 CG LYS A 633 181.727 -10.269 -2.034 1.00 0.00 C ATOM 586 CD LYS A 633 181.560 -11.777 -2.116 1.00 0.00 C ATOM 587 CE LYS A 633 182.157 -12.472 -0.902 1.00 0.00 C ATOM 588 NZ LYS A 633 183.053 -13.595 -1.290 1.00 0.00 N ATOM 0 H LYS A 633 178.991 -7.823 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 633 179.746 -8.673 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 633 179.926 -10.250 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.182 -9.193 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.730 -9.995 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 633 181.630 -9.948 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 633 180.501 -12.023 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 633 182.040 -12.148 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 633 182.717 -11.749 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 633 181.354 -12.850 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 183.439 -14.042 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 182.513 -14.298 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 183.834 -13.231 -1.873 1.00 0.00 H new ATOM 602 N VAL A 634 181.527 -6.960 -0.856 1.00 0.00 N ATOM 603 CA VAL A 634 182.456 -5.859 -0.631 1.00 0.00 C ATOM 604 C VAL A 634 183.801 -6.330 -0.103 1.00 0.00 C ATOM 605 O VAL A 634 183.919 -7.398 0.498 1.00 0.00 O ATOM 606 CB VAL A 634 181.860 -4.823 0.349 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.955 -4.018 1.045 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.900 -3.904 -0.383 1.00 0.00 C ATOM 0 H VAL A 634 181.306 -7.508 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 634 182.618 -5.395 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 634 181.311 -5.363 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.501 -3.299 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.601 -4.693 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.546 -3.487 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.486 -3.178 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.432 -3.380 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.091 -4.493 -0.816 1.00 0.00 H new ATOM 618 N VAL A 635 184.811 -5.500 -0.333 1.00 0.00 N ATOM 619 CA VAL A 635 186.162 -5.782 0.110 1.00 0.00 C ATOM 620 C VAL A 635 186.711 -4.622 0.930 1.00 0.00 C ATOM 621 O VAL A 635 186.724 -3.484 0.471 1.00 0.00 O ATOM 622 CB VAL A 635 187.078 -6.059 -1.098 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.406 -5.324 -0.982 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.290 -7.548 -1.235 1.00 0.00 C ATOM 0 H VAL A 635 184.712 -4.615 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 635 186.136 -6.671 0.741 1.00 0.00 H new ATOM 0 HB VAL A 635 186.589 -5.681 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.022 -5.546 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.224 -4.250 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.924 -5.648 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.938 -7.746 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.756 -7.934 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.329 -8.040 -1.386 1.00 0.00 H new ATOM 634 N GLY A 636 187.169 -4.920 2.141 1.00 0.00 N ATOM 635 CA GLY A 636 187.713 -3.885 2.998 1.00 0.00 C ATOM 636 C GLY A 636 189.222 -3.962 3.121 1.00 0.00 C ATOM 637 O GLY A 636 189.823 -4.999 2.839 1.00 0.00 O ATOM 0 H GLY A 636 187.173 -5.857 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.434 -2.908 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.267 -3.968 3.989 1.00 0.00 H new ATOM 641 N GLY A 637 189.834 -2.862 3.548 1.00 0.00 N ATOM 642 CA GLY A 637 191.276 -2.829 3.705 1.00 0.00 C ATOM 643 C GLY A 637 192.002 -2.659 2.385 1.00 0.00 C ATOM 644 O GLY A 637 192.866 -3.463 2.037 1.00 0.00 O ATOM 0 H GLY A 637 189.357 -1.993 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.547 -2.011 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.607 -3.752 4.181 1.00 0.00 H new ATOM 648 N LYS A 638 191.651 -1.610 1.648 1.00 0.00 N ATOM 649 CA LYS A 638 192.277 -1.339 0.359 1.00 0.00 C ATOM 650 C LYS A 638 192.917 0.046 0.341 1.00 0.00 C ATOM 651 O LYS A 638 192.234 1.054 0.161 1.00 0.00 O ATOM 652 CB LYS A 638 191.244 -1.450 -0.765 1.00 0.00 C ATOM 653 CG LYS A 638 190.710 -2.861 -0.961 1.00 0.00 C ATOM 654 CD LYS A 638 190.956 -3.362 -2.376 1.00 0.00 C ATOM 655 CE LYS A 638 191.349 -4.831 -2.390 1.00 0.00 C ATOM 656 NZ LYS A 638 192.711 -5.035 -2.954 1.00 0.00 N ATOM 0 H LYS A 638 190.937 -0.934 1.921 1.00 0.00 H new ATOM 0 HA LYS A 638 193.060 -2.081 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.411 -0.781 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.694 -1.108 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 638 191.187 -3.533 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.641 -2.879 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 638 190.056 -3.220 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 638 191.744 -2.770 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 638 191.313 -5.226 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 638 190.624 -5.395 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 192.942 -6.049 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 192.739 -4.681 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 193.406 -4.517 -2.379 1.00 0.00 H new ATOM 763 N LEU A 645 192.148 3.565 3.994 1.00 0.00 N ATOM 764 CA LEU A 645 191.531 2.264 3.766 1.00 0.00 C ATOM 765 C LEU A 645 190.013 2.392 3.686 1.00 0.00 C ATOM 766 O LEU A 645 189.416 3.240 4.349 1.00 0.00 O ATOM 767 CB LEU A 645 191.916 1.287 4.879 1.00 0.00 C ATOM 768 CG LEU A 645 193.370 0.812 4.849 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.620 -0.217 5.940 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.713 0.234 3.484 1.00 0.00 C ATOM 0 HA LEU A 645 191.897 1.877 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.725 1.762 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.264 0.416 4.819 1.00 0.00 H new ATOM 0 HG LEU A 645 194.015 1.671 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.660 -0.542 5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.414 0.228 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 645 192.965 -1.075 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 645 194.751 -0.099 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.060 -0.612 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.575 0.999 2.720 1.00 0.00 H new ATOM 782 N GLY A 646 189.397 1.544 2.871 1.00 0.00 N ATOM 783 CA GLY A 646 187.954 1.579 2.720 1.00 0.00 C ATOM 784 C GLY A 646 187.388 0.258 2.237 1.00 0.00 C ATOM 785 O GLY A 646 188.019 -0.787 2.389 1.00 0.00 O ATOM 0 H GLY A 646 189.870 0.833 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.498 1.838 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 646 187.685 2.365 2.015 1.00 0.00 H new ATOM 789 N ALA A 647 186.194 0.307 1.657 1.00 0.00 N ATOM 790 CA ALA A 647 185.540 -0.895 1.153 1.00 0.00 C ATOM 791 C ALA A 647 185.249 -0.781 -0.341 1.00 0.00 C ATOM 792 O ALA A 647 184.894 0.290 -0.830 1.00 0.00 O ATOM 793 CB ALA A 647 184.257 -1.160 1.925 1.00 0.00 C ATOM 0 H ALA A 647 185.659 1.166 1.524 1.00 0.00 H new ATOM 0 HA ALA A 647 186.219 -1.735 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 647 183.779 -2.060 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.490 -1.298 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.581 -0.312 1.810 1.00 0.00 H new ATOM 799 N PHE A 648 185.398 -1.891 -1.063 1.00 0.00 N ATOM 800 CA PHE A 648 185.145 -1.903 -2.501 1.00 0.00 C ATOM 801 C PHE A 648 184.262 -3.085 -2.885 1.00 0.00 C ATOM 802 O PHE A 648 184.527 -4.220 -2.492 1.00 0.00 O ATOM 803 CB PHE A 648 186.464 -1.963 -3.273 1.00 0.00 C ATOM 804 CG PHE A 648 187.159 -0.635 -3.377 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.905 -0.145 -2.317 1.00 0.00 C ATOM 806 CD2 PHE A 648 187.066 0.121 -4.534 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.545 1.076 -2.410 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.704 1.343 -4.632 1.00 0.00 C ATOM 809 CZ PHE A 648 188.444 1.822 -3.570 1.00 0.00 C ATOM 0 H PHE A 648 185.691 -2.789 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 648 184.624 -0.982 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.129 -2.675 -2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.272 -2.343 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 648 187.987 -0.724 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 648 186.489 -0.249 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.124 1.448 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.624 1.923 -5.539 1.00 0.00 H new ATOM 0 HZ PHE A 648 188.943 2.777 -3.645 1.00 0.00 H new ATOM 819 N ILE A 649 183.211 -2.818 -3.654 1.00 0.00 N ATOM 820 CA ILE A 649 182.296 -3.871 -4.079 1.00 0.00 C ATOM 821 C ILE A 649 182.933 -4.759 -5.145 1.00 0.00 C ATOM 822 O ILE A 649 183.256 -4.299 -6.240 1.00 0.00 O ATOM 823 CB ILE A 649 180.974 -3.286 -4.621 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.250 -2.503 -3.525 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.076 -4.391 -5.165 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.330 -1.427 -4.058 1.00 0.00 C ATOM 0 H ILE A 649 182.973 -1.886 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 649 182.077 -4.475 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 649 181.211 -2.605 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.670 -3.197 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.989 -2.045 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.150 -3.955 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.588 -4.910 -5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.846 -5.098 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.850 -0.913 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.908 -0.711 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.568 -1.881 -4.691 1.00 0.00 H new ATOM 838 N THR A 650 183.115 -6.031 -4.811 1.00 0.00 N ATOM 839 CA THR A 650 183.718 -6.987 -5.732 1.00 0.00 C ATOM 840 C THR A 650 182.711 -7.463 -6.777 1.00 0.00 C ATOM 841 O THR A 650 183.083 -7.780 -7.906 1.00 0.00 O ATOM 842 CB THR A 650 184.276 -8.185 -4.962 1.00 0.00 C ATOM 843 OG1 THR A 650 183.314 -8.689 -4.055 1.00 0.00 O ATOM 844 CG2 THR A 650 185.526 -7.862 -4.172 1.00 0.00 C ATOM 0 H THR A 650 182.853 -6.425 -3.907 1.00 0.00 H new ATOM 0 HA THR A 650 184.533 -6.482 -6.251 1.00 0.00 H new ATOM 0 HB THR A 650 184.528 -8.924 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.390 -8.215 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.868 -8.756 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 650 186.306 -7.517 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 650 185.305 -7.080 -3.445 1.00 0.00 H new ATOM 852 N LYS A 651 181.435 -7.518 -6.398 1.00 0.00 N ATOM 853 CA LYS A 651 180.392 -7.963 -7.318 1.00 0.00 C ATOM 854 C LYS A 651 178.998 -7.682 -6.764 1.00 0.00 C ATOM 855 O LYS A 651 178.810 -7.547 -5.556 1.00 0.00 O ATOM 856 CB LYS A 651 180.545 -9.458 -7.611 1.00 0.00 C ATOM 857 CG LYS A 651 180.285 -10.351 -6.408 1.00 0.00 C ATOM 858 CD LYS A 651 180.926 -11.719 -6.581 1.00 0.00 C ATOM 859 CE LYS A 651 180.199 -12.545 -7.631 1.00 0.00 C ATOM 860 NZ LYS A 651 181.142 -13.365 -8.441 1.00 0.00 N ATOM 0 H LYS A 651 181.101 -7.262 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 651 180.507 -7.400 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.858 -9.734 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.554 -9.645 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.677 -9.875 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.211 -10.467 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.970 -11.599 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.917 -12.249 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 651 179.476 -13.199 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 651 179.636 -11.883 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 180.608 -13.913 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 181.816 -12.740 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 181.661 -14.015 -7.817 1.00 0.00 H new ATOM 874 N VAL A 652 178.024 -7.602 -7.667 1.00 0.00 N ATOM 875 CA VAL A 652 176.636 -7.344 -7.288 1.00 0.00 C ATOM 876 C VAL A 652 175.700 -8.369 -7.921 1.00 0.00 C ATOM 877 O VAL A 652 175.795 -8.656 -9.114 1.00 0.00 O ATOM 878 CB VAL A 652 176.169 -5.927 -7.704 1.00 0.00 C ATOM 879 CG1 VAL A 652 175.996 -5.035 -6.485 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.137 -5.296 -8.694 1.00 0.00 C ATOM 0 H VAL A 652 178.171 -7.713 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 652 176.596 -7.421 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 652 175.202 -6.029 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.668 -4.045 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.250 -5.469 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 652 176.946 -4.950 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.782 -4.302 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.124 -5.216 -8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.200 -5.917 -9.588 1.00 0.00 H new ATOM 890 N LYS A 653 174.792 -8.913 -7.117 1.00 0.00 N ATOM 891 CA LYS A 653 173.835 -9.898 -7.608 1.00 0.00 C ATOM 892 C LYS A 653 172.696 -9.214 -8.360 1.00 0.00 C ATOM 893 O LYS A 653 171.830 -8.583 -7.753 1.00 0.00 O ATOM 894 CB LYS A 653 173.275 -10.722 -6.446 1.00 0.00 C ATOM 895 CG LYS A 653 173.966 -12.062 -6.258 1.00 0.00 C ATOM 896 CD LYS A 653 173.338 -13.140 -7.128 1.00 0.00 C ATOM 897 CE LYS A 653 174.182 -13.425 -8.360 1.00 0.00 C ATOM 898 NZ LYS A 653 175.019 -14.645 -8.191 1.00 0.00 N ATOM 0 H LYS A 653 174.699 -8.689 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 653 174.355 -10.565 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.365 -10.144 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.211 -10.892 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 653 175.023 -11.965 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 653 173.908 -12.359 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 653 173.220 -14.055 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 653 172.340 -12.826 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 653 173.531 -13.549 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 653 174.825 -12.569 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 175.579 -14.804 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 175.659 -14.518 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 174.405 -15.467 -8.021 1.00 0.00 H new ATOM 912 N LYS A 654 172.705 -9.338 -9.684 1.00 0.00 N ATOM 913 CA LYS A 654 171.674 -8.727 -10.519 1.00 0.00 C ATOM 914 C LYS A 654 170.284 -9.200 -10.105 1.00 0.00 C ATOM 915 O LYS A 654 169.869 -10.308 -10.444 1.00 0.00 O ATOM 916 CB LYS A 654 171.919 -9.056 -11.992 1.00 0.00 C ATOM 917 CG LYS A 654 171.393 -7.993 -12.947 1.00 0.00 C ATOM 918 CD LYS A 654 172.504 -7.412 -13.807 1.00 0.00 C ATOM 919 CE LYS A 654 171.971 -6.897 -15.134 1.00 0.00 C ATOM 920 NZ LYS A 654 171.289 -7.969 -15.912 1.00 0.00 N ATOM 0 H LYS A 654 173.415 -9.856 -10.202 1.00 0.00 H new ATOM 0 HA LYS A 654 171.726 -7.647 -10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.989 -9.182 -12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 654 171.447 -10.010 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 654 170.626 -8.427 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 654 170.918 -7.194 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 654 172.993 -6.599 -13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 654 173.261 -8.175 -13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 654 171.273 -6.080 -14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 654 172.793 -6.489 -15.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 171.376 -7.769 -16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 171.731 -8.886 -15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 170.283 -8.001 -15.651 1.00 0.00 H new ATOM 934 N GLY A 655 169.571 -8.354 -9.368 1.00 0.00 N ATOM 935 CA GLY A 655 168.238 -8.704 -8.918 1.00 0.00 C ATOM 936 C GLY A 655 168.090 -8.595 -7.414 1.00 0.00 C ATOM 937 O GLY A 655 166.979 -8.461 -6.901 1.00 0.00 O ATOM 0 H GLY A 655 169.894 -7.432 -9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.511 -8.050 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.008 -9.723 -9.230 1.00 0.00 H new ATOM 941 N SER A 656 169.214 -8.647 -6.704 1.00 0.00 N ATOM 942 CA SER A 656 169.203 -8.549 -5.251 1.00 0.00 C ATOM 943 C SER A 656 168.805 -7.147 -4.808 1.00 0.00 C ATOM 944 O SER A 656 168.699 -6.233 -5.626 1.00 0.00 O ATOM 945 CB SER A 656 170.575 -8.907 -4.682 1.00 0.00 C ATOM 946 OG SER A 656 170.861 -10.283 -4.864 1.00 0.00 O ATOM 0 H SER A 656 170.142 -8.756 -7.113 1.00 0.00 H new ATOM 0 HA SER A 656 168.467 -9.256 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 656 171.342 -8.306 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.606 -8.664 -3.620 1.00 0.00 H new ATOM 0 HG SER A 656 171.564 -10.557 -4.238 1.00 0.00 H new ATOM 952 N LEU A 657 168.586 -6.983 -3.508 1.00 0.00 N ATOM 953 CA LEU A 657 168.199 -5.692 -2.956 1.00 0.00 C ATOM 954 C LEU A 657 169.249 -4.631 -3.262 1.00 0.00 C ATOM 955 O LEU A 657 168.933 -3.557 -3.770 1.00 0.00 O ATOM 956 CB LEU A 657 167.995 -5.800 -1.443 1.00 0.00 C ATOM 957 CG LEU A 657 166.649 -6.389 -1.010 1.00 0.00 C ATOM 958 CD1 LEU A 657 166.839 -7.405 0.107 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.697 -5.284 -0.570 1.00 0.00 C ATOM 0 H LEU A 657 168.670 -7.729 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 657 167.260 -5.394 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.794 -6.414 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 657 168.097 -4.806 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 657 166.211 -6.901 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 657 165.870 -7.810 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 657 167.481 -8.214 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 657 167.303 -6.919 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 657 164.746 -5.722 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.132 -4.742 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.531 -4.596 -1.399 1.00 0.00 H new ATOM 971 N ALA A 658 170.498 -4.943 -2.942 1.00 0.00 N ATOM 972 CA ALA A 658 171.610 -4.024 -3.169 1.00 0.00 C ATOM 973 C ALA A 658 171.564 -3.409 -4.565 1.00 0.00 C ATOM 974 O ALA A 658 172.006 -2.280 -4.771 1.00 0.00 O ATOM 975 CB ALA A 658 172.934 -4.742 -2.958 1.00 0.00 C ATOM 0 H ALA A 658 170.769 -5.832 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 658 171.518 -3.212 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.756 -4.047 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 658 172.985 -5.119 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.011 -5.575 -3.656 1.00 0.00 H new ATOM 981 N ASP A 659 171.038 -4.163 -5.521 1.00 0.00 N ATOM 982 CA ASP A 659 170.950 -3.696 -6.901 1.00 0.00 C ATOM 983 C ASP A 659 169.715 -2.829 -7.128 1.00 0.00 C ATOM 984 O ASP A 659 169.794 -1.769 -7.749 1.00 0.00 O ATOM 985 CB ASP A 659 170.930 -4.887 -7.861 1.00 0.00 C ATOM 986 CG ASP A 659 171.741 -4.630 -9.117 1.00 0.00 C ATOM 987 OD1 ASP A 659 172.771 -3.930 -9.025 1.00 0.00 O ATOM 988 OD2 ASP A 659 171.346 -5.128 -10.192 1.00 0.00 O ATOM 0 H ASP A 659 170.666 -5.100 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 659 171.830 -3.084 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.322 -5.767 -7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.899 -5.111 -8.136 1.00 0.00 H new ATOM 993 N VAL A 660 168.573 -3.292 -6.639 1.00 0.00 N ATOM 994 CA VAL A 660 167.318 -2.559 -6.810 1.00 0.00 C ATOM 995 C VAL A 660 167.202 -1.383 -5.840 1.00 0.00 C ATOM 996 O VAL A 660 166.882 -0.267 -6.250 1.00 0.00 O ATOM 997 CB VAL A 660 166.081 -3.473 -6.651 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.689 -4.074 -7.992 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.328 -4.570 -5.625 1.00 0.00 C ATOM 0 H VAL A 660 168.485 -4.167 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 660 167.340 -2.174 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 660 165.257 -2.859 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.817 -4.715 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.451 -3.274 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.518 -4.664 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.438 -5.194 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.171 -5.183 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.551 -4.120 -4.658 1.00 0.00 H new ATOM 1009 N VAL A 661 167.453 -1.629 -4.558 1.00 0.00 N ATOM 1010 CA VAL A 661 167.362 -0.574 -3.553 1.00 0.00 C ATOM 1011 C VAL A 661 168.645 0.254 -3.498 1.00 0.00 C ATOM 1012 O VAL A 661 168.598 1.482 -3.430 1.00 0.00 O ATOM 1013 CB VAL A 661 167.040 -1.144 -2.150 1.00 0.00 C ATOM 1014 CG1 VAL A 661 168.301 -1.601 -1.426 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.290 -0.114 -1.320 1.00 0.00 C ATOM 0 H VAL A 661 167.719 -2.543 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 661 166.540 0.076 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 661 166.404 -2.019 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 661 168.035 -1.995 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 661 168.793 -2.380 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.978 -0.755 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.071 -0.529 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 661 166.904 0.780 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.357 0.147 -1.820 1.00 0.00 H new ATOM 1025 N GLY A 662 169.788 -0.424 -3.530 1.00 0.00 N ATOM 1026 CA GLY A 662 171.061 0.270 -3.486 1.00 0.00 C ATOM 1027 C GLY A 662 171.453 0.834 -4.836 1.00 0.00 C ATOM 1028 O GLY A 662 171.778 2.016 -4.955 1.00 0.00 O ATOM 0 H GLY A 662 169.855 -1.440 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 662 171.006 1.079 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.835 -0.416 -3.142 1.00 0.00 H new ATOM 1032 N HIS A 663 171.414 -0.014 -5.857 1.00 0.00 N ATOM 1033 CA HIS A 663 171.756 0.396 -7.215 1.00 0.00 C ATOM 1034 C HIS A 663 173.232 0.770 -7.338 1.00 0.00 C ATOM 1035 O HIS A 663 173.570 1.930 -7.577 1.00 0.00 O ATOM 1036 CB HIS A 663 170.878 1.574 -7.647 1.00 0.00 C ATOM 1037 CG HIS A 663 170.448 1.507 -9.079 1.00 0.00 C ATOM 1038 ND1 HIS A 663 171.187 2.041 -10.114 1.00 0.00 N ATOM 1039 CD2 HIS A 663 169.346 0.963 -9.649 1.00 0.00 C ATOM 1040 CE1 HIS A 663 170.558 1.830 -11.257 1.00 0.00 C ATOM 1041 NE2 HIS A 663 169.440 1.178 -11.002 1.00 0.00 N ATOM 0 H HIS A 663 171.148 -0.995 -5.770 1.00 0.00 H new ATOM 0 HA HIS A 663 171.572 -0.453 -7.873 1.00 0.00 H new ATOM 0 HB2 HIS A 663 169.993 1.609 -7.012 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.424 2.503 -7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 663 168.543 0.455 -9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 663 170.901 2.139 -12.233 1.00 0.00 H new ATOM 0 HE2 HIS A 663 168.756 0.881 -11.698 1.00 0.00 H new ATOM 1050 N LEU A 664 174.110 -0.220 -7.199 1.00 0.00 N ATOM 1051 CA LEU A 664 175.544 0.012 -7.323 1.00 0.00 C ATOM 1052 C LEU A 664 176.189 -1.109 -8.129 1.00 0.00 C ATOM 1053 O LEU A 664 175.520 -2.065 -8.519 1.00 0.00 O ATOM 1054 CB LEU A 664 176.217 0.144 -5.949 1.00 0.00 C ATOM 1055 CG LEU A 664 175.600 -0.680 -4.816 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.244 -0.121 -4.421 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.486 -2.140 -5.218 1.00 0.00 C ATOM 0 H LEU A 664 173.854 -1.187 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 664 175.686 0.956 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.264 -0.142 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.200 1.194 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 664 176.257 -0.616 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.824 -0.722 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.359 0.909 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.575 -0.149 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 664 175.045 -2.709 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.854 -2.226 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.477 -2.534 -5.442 1.00 0.00 H new ATOM 1069 N ARG A 665 177.484 -0.985 -8.385 1.00 0.00 N ATOM 1070 CA ARG A 665 178.200 -1.992 -9.158 1.00 0.00 C ATOM 1071 C ARG A 665 179.585 -2.253 -8.579 1.00 0.00 C ATOM 1072 O ARG A 665 180.119 -1.439 -7.827 1.00 0.00 O ATOM 1073 CB ARG A 665 178.321 -1.552 -10.618 1.00 0.00 C ATOM 1074 CG ARG A 665 176.994 -1.551 -11.364 1.00 0.00 C ATOM 1075 CD ARG A 665 176.675 -0.182 -11.946 1.00 0.00 C ATOM 1076 NE ARG A 665 176.680 -0.195 -13.406 1.00 0.00 N ATOM 1077 CZ ARG A 665 176.561 0.897 -14.159 1.00 0.00 C ATOM 1078 NH1 ARG A 665 176.429 2.090 -13.592 1.00 0.00 N ATOM 1079 NH2 ARG A 665 176.574 0.796 -15.480 1.00 0.00 N ATOM 0 H ARG A 665 178.058 -0.202 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 665 177.629 -2.919 -9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.749 -0.550 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.017 -2.214 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 665 177.027 -2.288 -12.166 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.196 -1.853 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 665 175.698 0.145 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.405 0.544 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 665 176.781 -1.094 -13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 665 176.418 2.173 -12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 665 176.338 2.924 -14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 665 176.675 -0.118 -15.921 1.00 0.00 H new ATOM 0 HH22 ARG A 665 176.483 1.633 -16.056 1.00 0.00 H new ATOM 1093 N ALA A 666 180.160 -3.395 -8.941 1.00 0.00 N ATOM 1094 CA ALA A 666 181.483 -3.768 -8.464 1.00 0.00 C ATOM 1095 C ALA A 666 182.511 -2.702 -8.820 1.00 0.00 C ATOM 1096 O ALA A 666 182.657 -2.331 -9.985 1.00 0.00 O ATOM 1097 CB ALA A 666 181.893 -5.112 -9.041 1.00 0.00 C ATOM 0 H ALA A 666 179.728 -4.078 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 666 181.442 -3.850 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.885 -5.378 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.177 -5.874 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 666 181.912 -5.050 -10.129 1.00 0.00 H new ATOM 1103 N GLY A 667 183.215 -2.207 -7.810 1.00 0.00 N ATOM 1104 CA GLY A 667 184.215 -1.181 -8.035 1.00 0.00 C ATOM 1105 C GLY A 667 183.959 0.060 -7.203 1.00 0.00 C ATOM 1106 O GLY A 667 184.866 0.856 -6.966 1.00 0.00 O ATOM 0 H GLY A 667 183.111 -2.498 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.201 -1.579 -7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.226 -0.912 -9.091 1.00 0.00 H new ATOM 1110 N ASP A 668 182.715 0.223 -6.756 1.00 0.00 N ATOM 1111 CA ASP A 668 182.341 1.372 -5.942 1.00 0.00 C ATOM 1112 C ASP A 668 183.051 1.333 -4.595 1.00 0.00 C ATOM 1113 O ASP A 668 183.340 0.259 -4.067 1.00 0.00 O ATOM 1114 CB ASP A 668 180.826 1.403 -5.732 1.00 0.00 C ATOM 1115 CG ASP A 668 180.106 2.174 -6.821 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.751 3.023 -7.471 1.00 0.00 O ATOM 1117 OD2 ASP A 668 178.899 1.929 -7.023 1.00 0.00 O ATOM 0 H ASP A 668 181.952 -0.427 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 668 182.646 2.276 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.445 0.382 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.605 1.854 -4.765 1.00 0.00 H new ATOM 1122 N GLU A 669 183.335 2.507 -4.044 1.00 0.00 N ATOM 1123 CA GLU A 669 184.018 2.600 -2.760 1.00 0.00 C ATOM 1124 C GLU A 669 183.063 3.052 -1.660 1.00 0.00 C ATOM 1125 O GLU A 669 182.682 4.221 -1.596 1.00 0.00 O ATOM 1126 CB GLU A 669 185.198 3.569 -2.853 1.00 0.00 C ATOM 1127 CG GLU A 669 186.082 3.572 -1.616 1.00 0.00 C ATOM 1128 CD GLU A 669 187.102 4.693 -1.633 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.794 5.769 -2.187 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.209 4.496 -1.089 1.00 0.00 O ATOM 0 H GLU A 669 183.103 3.406 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 669 184.389 1.607 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.803 3.309 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.818 4.577 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.458 3.667 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.599 2.616 -1.541 1.00 0.00 H new ATOM 1137 N VAL A 670 182.684 2.119 -0.790 1.00 0.00 N ATOM 1138 CA VAL A 670 181.781 2.428 0.312 1.00 0.00 C ATOM 1139 C VAL A 670 182.563 2.914 1.528 1.00 0.00 C ATOM 1140 O VAL A 670 183.151 2.117 2.260 1.00 0.00 O ATOM 1141 CB VAL A 670 180.924 1.205 0.711 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.159 1.469 2.003 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.963 0.840 -0.410 1.00 0.00 C ATOM 0 H VAL A 670 182.988 1.146 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 670 181.114 3.218 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 670 181.596 0.364 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.565 0.592 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.864 1.677 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.500 2.327 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.368 -0.023 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.303 1.684 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.529 0.597 -1.310 1.00 0.00 H new ATOM 1153 N LEU A 671 182.565 4.225 1.736 1.00 0.00 N ATOM 1154 CA LEU A 671 183.273 4.818 2.863 1.00 0.00 C ATOM 1155 C LEU A 671 182.436 4.749 4.138 1.00 0.00 C ATOM 1156 O LEU A 671 182.874 5.190 5.201 1.00 0.00 O ATOM 1157 CB LEU A 671 183.628 6.272 2.553 1.00 0.00 C ATOM 1158 CG LEU A 671 183.908 6.570 1.081 1.00 0.00 C ATOM 1159 CD1 LEU A 671 183.878 8.065 0.823 1.00 0.00 C ATOM 1160 CD2 LEU A 671 185.243 5.975 0.667 1.00 0.00 C ATOM 0 H LEU A 671 182.084 4.898 1.139 1.00 0.00 H new ATOM 0 HA LEU A 671 184.188 4.248 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.809 6.909 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.506 6.548 3.137 1.00 0.00 H new ATOM 0 HG LEU A 671 183.126 6.109 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 671 184.080 8.256 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 671 182.895 8.459 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.637 8.555 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 671 185.429 6.195 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 671 186.038 6.407 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 671 185.221 4.895 0.813 1.00 0.00 H new ATOM 1172 N GLU A 672 181.228 4.204 4.028 1.00 0.00 N ATOM 1173 CA GLU A 672 180.337 4.095 5.176 1.00 0.00 C ATOM 1174 C GLU A 672 179.548 2.791 5.156 1.00 0.00 C ATOM 1175 O GLU A 672 178.886 2.469 4.170 1.00 0.00 O ATOM 1176 CB GLU A 672 179.370 5.275 5.198 1.00 0.00 C ATOM 1177 CG GLU A 672 180.027 6.593 5.575 1.00 0.00 C ATOM 1178 CD GLU A 672 179.470 7.768 4.797 1.00 0.00 C ATOM 1179 OE1 GLU A 672 180.006 8.068 3.708 1.00 0.00 O ATOM 1180 OE2 GLU A 672 178.497 8.390 5.274 1.00 0.00 O ATOM 0 H GLU A 672 180.846 3.833 3.158 1.00 0.00 H new ATOM 0 HA GLU A 672 180.954 4.103 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.910 5.376 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.568 5.063 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 672 179.889 6.771 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 672 181.100 6.522 5.399 1.00 0.00 H new ATOM 1187 N TRP A 673 179.611 2.053 6.259 1.00 0.00 N ATOM 1188 CA TRP A 673 178.892 0.791 6.385 1.00 0.00 C ATOM 1189 C TRP A 673 178.115 0.761 7.696 1.00 0.00 C ATOM 1190 O TRP A 673 178.704 0.693 8.775 1.00 0.00 O ATOM 1191 CB TRP A 673 179.866 -0.386 6.330 1.00 0.00 C ATOM 1192 CG TRP A 673 179.200 -1.698 6.050 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.481 -2.458 6.928 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.191 -2.405 4.807 1.00 0.00 C ATOM 1195 NE1 TRP A 673 178.028 -3.596 6.306 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.452 -3.587 5.002 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.737 -2.153 3.548 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.248 -4.515 3.983 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.533 -3.072 2.538 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.795 -4.242 2.760 1.00 0.00 C ATOM 0 H TRP A 673 180.156 2.309 7.082 1.00 0.00 H new ATOM 0 HA TRP A 673 178.193 0.705 5.553 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.612 -0.194 5.559 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.398 -0.452 7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.296 -2.202 7.961 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.468 -4.328 6.743 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.309 -1.255 3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.679 -5.417 4.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.950 -2.886 1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.655 -4.942 1.949 1.00 0.00 H new ATOM 1211 N ASN A 674 176.791 0.822 7.601 1.00 0.00 N ATOM 1212 CA ASN A 674 175.936 0.811 8.784 1.00 0.00 C ATOM 1213 C ASN A 674 176.091 2.104 9.579 1.00 0.00 C ATOM 1214 O ASN A 674 176.072 2.097 10.809 1.00 0.00 O ATOM 1215 CB ASN A 674 176.263 -0.392 9.674 1.00 0.00 C ATOM 1216 CG ASN A 674 175.215 -0.617 10.748 1.00 0.00 C ATOM 1217 OD1 ASN A 674 173.983 -0.880 10.326 1.00 0.00 O flip ATOM 1218 ND2 ASN A 674 175.510 -0.556 11.941 1.00 0.00 N flip ATOM 0 H ASN A 674 176.286 0.880 6.717 1.00 0.00 H new ATOM 0 HA ASN A 674 174.902 0.731 8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.344 -1.286 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.235 -0.240 10.144 1.00 0.00 H new ATOM 0 HD21 ASN A 674 176.470 -0.351 12.219 1.00 0.00 H new ATOM 0 HD22 ASN A 674 174.795 -0.710 12.652 1.00 0.00 H new ATOM 1225 N GLY A 675 176.234 3.213 8.861 1.00 0.00 N ATOM 1226 CA GLY A 675 176.378 4.507 9.505 1.00 0.00 C ATOM 1227 C GLY A 675 177.701 4.677 10.230 1.00 0.00 C ATOM 1228 O GLY A 675 177.836 5.558 11.079 1.00 0.00 O ATOM 0 H GLY A 675 176.253 3.239 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 675 176.281 5.291 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.563 4.643 10.216 1.00 0.00 H new ATOM 1232 N LYS A 676 178.681 3.838 9.903 1.00 0.00 N ATOM 1233 CA LYS A 676 179.990 3.916 10.541 1.00 0.00 C ATOM 1234 C LYS A 676 181.039 4.422 9.564 1.00 0.00 C ATOM 1235 O LYS A 676 180.992 4.104 8.376 1.00 0.00 O ATOM 1236 CB LYS A 676 180.403 2.536 11.076 1.00 0.00 C ATOM 1237 CG LYS A 676 181.724 1.990 10.515 1.00 0.00 C ATOM 1238 CD LYS A 676 182.829 2.002 11.562 1.00 0.00 C ATOM 1239 CE LYS A 676 182.415 1.268 12.828 1.00 0.00 C ATOM 1240 NZ LYS A 676 182.346 2.181 14.002 1.00 0.00 N ATOM 0 H LYS A 676 178.593 3.101 9.204 1.00 0.00 H new ATOM 0 HA LYS A 676 179.921 4.618 11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.483 2.593 12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.609 1.824 10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.574 0.972 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 676 182.030 2.588 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.725 1.539 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 676 183.087 3.032 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.443 0.800 12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 676 183.126 0.467 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 181.783 1.736 14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.307 2.368 14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 181.900 3.077 13.719 1.00 0.00 H new ATOM 1254 N PRO A 677 182.027 5.186 10.050 1.00 0.00 N ATOM 1255 CA PRO A 677 183.093 5.675 9.194 1.00 0.00 C ATOM 1256 C PRO A 677 184.136 4.587 8.960 1.00 0.00 C ATOM 1257 O PRO A 677 184.762 4.094 9.897 1.00 0.00 O ATOM 1258 CB PRO A 677 183.682 6.823 10.009 1.00 0.00 C ATOM 1259 CG PRO A 677 183.467 6.423 11.430 1.00 0.00 C ATOM 1260 CD PRO A 677 182.201 5.601 11.455 1.00 0.00 C ATOM 0 HA PRO A 677 182.751 5.979 8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.741 6.961 9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 677 183.185 7.766 9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 677 184.313 5.845 11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 677 183.373 7.300 12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.295 4.741 12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 677 181.351 6.185 11.808 1.00 0.00 H new ATOM 1268 N LEU A 678 184.305 4.218 7.702 1.00 0.00 N ATOM 1269 CA LEU A 678 185.256 3.182 7.317 1.00 0.00 C ATOM 1270 C LEU A 678 186.660 3.745 7.070 1.00 0.00 C ATOM 1271 O LEU A 678 187.651 3.108 7.427 1.00 0.00 O ATOM 1272 CB LEU A 678 184.762 2.453 6.068 1.00 0.00 C ATOM 1273 CG LEU A 678 183.383 1.804 6.207 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.976 1.133 4.903 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.378 0.803 7.353 1.00 0.00 C ATOM 0 H LEU A 678 183.791 4.624 6.920 1.00 0.00 H new ATOM 0 HA LEU A 678 185.325 2.482 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.733 3.160 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.486 1.682 5.804 1.00 0.00 H new ATOM 0 HG LEU A 678 182.655 2.583 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.993 0.677 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.938 1.877 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.705 0.364 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.390 0.351 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 678 184.117 0.025 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.624 1.314 8.284 1.00 0.00 H new ATOM 1287 N PRO A 679 186.780 4.941 6.451 1.00 0.00 N ATOM 1288 CA PRO A 679 188.084 5.551 6.168 1.00 0.00 C ATOM 1289 C PRO A 679 189.072 5.393 7.319 1.00 0.00 C ATOM 1290 O PRO A 679 188.866 5.927 8.409 1.00 0.00 O ATOM 1291 CB PRO A 679 187.730 7.018 5.951 1.00 0.00 C ATOM 1292 CG PRO A 679 186.367 6.977 5.351 1.00 0.00 C ATOM 1293 CD PRO A 679 185.670 5.791 5.972 1.00 0.00 C ATOM 0 HA PRO A 679 188.583 5.084 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.736 7.573 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.443 7.506 5.287 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.823 7.899 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.422 6.873 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 679 185.017 6.094 6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 679 185.049 5.266 5.246 1.00 0.00 H new ATOM 1301 N GLY A 680 190.144 4.650 7.065 1.00 0.00 N ATOM 1302 CA GLY A 680 191.152 4.424 8.082 1.00 0.00 C ATOM 1303 C GLY A 680 191.115 3.010 8.637 1.00 0.00 C ATOM 1304 O GLY A 680 192.062 2.571 9.289 1.00 0.00 O ATOM 0 H GLY A 680 190.332 4.199 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 680 192.138 4.619 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 680 191.007 5.134 8.896 1.00 0.00 H new ATOM 1308 N ALA A 681 190.023 2.296 8.377 1.00 0.00 N ATOM 1309 CA ALA A 681 189.874 0.929 8.857 1.00 0.00 C ATOM 1310 C ALA A 681 190.316 -0.076 7.797 1.00 0.00 C ATOM 1311 O ALA A 681 190.019 0.085 6.614 1.00 0.00 O ATOM 1312 CB ALA A 681 188.431 0.670 9.267 1.00 0.00 C ATOM 0 H ALA A 681 189.230 2.643 7.837 1.00 0.00 H new ATOM 0 HA ALA A 681 190.516 0.802 9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.333 -0.355 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 681 188.149 1.360 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.776 0.820 8.408 1.00 0.00 H new ATOM 1318 N THR A 682 191.027 -1.111 8.231 1.00 0.00 N ATOM 1319 CA THR A 682 191.510 -2.144 7.321 1.00 0.00 C ATOM 1320 C THR A 682 190.488 -3.269 7.184 1.00 0.00 C ATOM 1321 O THR A 682 189.385 -3.187 7.723 1.00 0.00 O ATOM 1322 CB THR A 682 192.849 -2.697 7.816 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.240 -3.832 7.064 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.828 -3.097 9.274 1.00 0.00 C ATOM 0 H THR A 682 191.282 -1.257 9.208 1.00 0.00 H new ATOM 0 HA THR A 682 191.655 -1.696 6.338 1.00 0.00 H new ATOM 0 HB THR A 682 193.559 -1.880 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.099 -4.166 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.807 -3.480 9.560 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.585 -2.228 9.886 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.076 -3.871 9.428 1.00 0.00 H new ATOM 1332 N ASN A 683 190.861 -4.318 6.457 1.00 0.00 N ATOM 1333 CA ASN A 683 189.978 -5.460 6.243 1.00 0.00 C ATOM 1334 C ASN A 683 189.431 -5.994 7.563 1.00 0.00 C ATOM 1335 O ASN A 683 188.233 -6.245 7.693 1.00 0.00 O ATOM 1336 CB ASN A 683 190.721 -6.572 5.501 1.00 0.00 C ATOM 1337 CG ASN A 683 192.074 -6.873 6.117 1.00 0.00 C ATOM 1338 OD1 ASN A 683 193.024 -6.106 5.962 1.00 0.00 O ATOM 1339 ND2 ASN A 683 192.167 -7.996 6.820 1.00 0.00 N ATOM 0 H ASN A 683 191.772 -4.401 6.005 1.00 0.00 H new ATOM 0 HA ASN A 683 189.137 -5.122 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 683 190.113 -7.477 5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 683 190.855 -6.283 4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 683 193.052 -8.252 7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 683 191.353 -8.602 6.922 1.00 0.00 H new ATOM 1346 N GLU A 684 190.315 -6.171 8.541 1.00 0.00 N ATOM 1347 CA GLU A 684 189.913 -6.680 9.847 1.00 0.00 C ATOM 1348 C GLU A 684 188.929 -5.733 10.521 1.00 0.00 C ATOM 1349 O GLU A 684 187.987 -6.172 11.182 1.00 0.00 O ATOM 1350 CB GLU A 684 191.139 -6.893 10.738 1.00 0.00 C ATOM 1351 CG GLU A 684 191.401 -8.352 11.073 1.00 0.00 C ATOM 1352 CD GLU A 684 192.000 -8.534 12.454 1.00 0.00 C ATOM 1353 OE1 GLU A 684 192.830 -7.692 12.858 1.00 0.00 O ATOM 1354 OE2 GLU A 684 191.638 -9.519 13.132 1.00 0.00 O ATOM 0 H GLU A 684 191.311 -5.970 8.454 1.00 0.00 H new ATOM 0 HA GLU A 684 189.417 -7.639 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 684 192.016 -6.480 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.006 -6.334 11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 684 190.466 -8.909 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 684 192.076 -8.776 10.329 1.00 0.00 H new ATOM 1361 N GLU A 685 189.139 -4.437 10.339 1.00 0.00 N ATOM 1362 CA GLU A 685 188.250 -3.443 10.920 1.00 0.00 C ATOM 1363 C GLU A 685 186.863 -3.587 10.315 1.00 0.00 C ATOM 1364 O GLU A 685 185.895 -3.885 11.015 1.00 0.00 O ATOM 1365 CB GLU A 685 188.787 -2.032 10.679 1.00 0.00 C ATOM 1366 CG GLU A 685 189.681 -1.522 11.797 1.00 0.00 C ATOM 1367 CD GLU A 685 190.922 -2.372 11.984 1.00 0.00 C ATOM 1368 OE1 GLU A 685 190.781 -3.553 12.362 1.00 0.00 O ATOM 1369 OE2 GLU A 685 192.036 -1.855 11.753 1.00 0.00 O ATOM 0 H GLU A 685 189.912 -4.052 9.797 1.00 0.00 H new ATOM 0 HA GLU A 685 188.194 -3.606 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.347 -2.020 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 685 187.947 -1.349 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 685 189.977 -0.496 11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 685 189.116 -1.501 12.729 1.00 0.00 H new ATOM 1376 N VAL A 686 186.782 -3.396 9.001 1.00 0.00 N ATOM 1377 CA VAL A 686 185.523 -3.522 8.283 1.00 0.00 C ATOM 1378 C VAL A 686 184.820 -4.828 8.645 1.00 0.00 C ATOM 1379 O VAL A 686 183.603 -4.858 8.827 1.00 0.00 O ATOM 1380 CB VAL A 686 185.747 -3.465 6.757 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.454 -3.746 6.009 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.323 -2.114 6.354 1.00 0.00 C ATOM 0 H VAL A 686 187.579 -3.152 8.412 1.00 0.00 H new ATOM 0 HA VAL A 686 184.893 -2.683 8.579 1.00 0.00 H new ATOM 0 HB VAL A 686 186.465 -4.239 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.637 -3.700 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.089 -4.739 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.707 -3.001 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.475 -2.091 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.630 -1.323 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.277 -1.960 6.858 1.00 0.00 H new ATOM 1392 N TYR A 687 185.597 -5.904 8.753 1.00 0.00 N ATOM 1393 CA TYR A 687 185.047 -7.211 9.102 1.00 0.00 C ATOM 1394 C TYR A 687 184.119 -7.101 10.305 1.00 0.00 C ATOM 1395 O TYR A 687 183.000 -7.615 10.290 1.00 0.00 O ATOM 1396 CB TYR A 687 186.174 -8.207 9.408 1.00 0.00 C ATOM 1397 CG TYR A 687 186.988 -8.634 8.202 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.563 -8.362 6.905 1.00 0.00 C ATOM 1399 CD2 TYR A 687 188.189 -9.315 8.365 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.310 -8.756 5.810 1.00 0.00 C ATOM 1401 CE2 TYR A 687 188.941 -9.710 7.274 1.00 0.00 C ATOM 1402 CZ TYR A 687 188.497 -9.429 6.000 1.00 0.00 C ATOM 1403 OH TYR A 687 189.243 -9.822 4.913 1.00 0.00 O ATOM 0 H TYR A 687 186.606 -5.896 8.604 1.00 0.00 H new ATOM 0 HA TYR A 687 184.476 -7.574 8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.845 -7.761 10.142 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.741 -9.094 9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 687 185.634 -7.834 6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 687 188.541 -9.539 9.361 1.00 0.00 H new ATOM 0 HE1 TYR A 687 186.964 -8.537 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 687 189.873 -10.237 7.420 1.00 0.00 H new ATOM 0 HH TYR A 687 190.051 -10.283 5.220 1.00 0.00 H new ATOM 1413 N ASN A 688 184.591 -6.419 11.339 1.00 0.00 N ATOM 1414 CA ASN A 688 183.806 -6.231 12.554 1.00 0.00 C ATOM 1415 C ASN A 688 182.599 -5.337 12.287 1.00 0.00 C ATOM 1416 O ASN A 688 181.508 -5.579 12.804 1.00 0.00 O ATOM 1417 CB ASN A 688 184.674 -5.621 13.656 1.00 0.00 C ATOM 1418 CG ASN A 688 185.329 -6.678 14.526 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.380 -6.546 15.749 1.00 0.00 O ATOM 1420 ND2 ASN A 688 185.833 -7.733 13.898 1.00 0.00 N ATOM 0 H ASN A 688 185.514 -5.986 11.362 1.00 0.00 H new ATOM 0 HA ASN A 688 183.448 -7.207 12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.445 -4.997 13.204 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.061 -4.970 14.279 1.00 0.00 H new ATOM 0 HD21 ASN A 688 186.285 -8.476 14.431 1.00 0.00 H new ATOM 0 HD22 ASN A 688 185.768 -7.801 12.882 1.00 0.00 H new ATOM 1427 N ILE A 689 182.803 -4.303 11.477 1.00 0.00 N ATOM 1428 CA ILE A 689 181.733 -3.372 11.141 1.00 0.00 C ATOM 1429 C ILE A 689 180.588 -4.087 10.425 1.00 0.00 C ATOM 1430 O ILE A 689 179.477 -4.176 10.947 1.00 0.00 O ATOM 1431 CB ILE A 689 182.255 -2.216 10.254 1.00 0.00 C ATOM 1432 CG1 ILE A 689 183.051 -1.220 11.098 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.109 -1.505 9.543 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.489 -1.627 11.326 1.00 0.00 C ATOM 0 H ILE A 689 183.700 -4.089 11.041 1.00 0.00 H new ATOM 0 HA ILE A 689 181.361 -2.957 12.078 1.00 0.00 H new ATOM 0 HB ILE A 689 182.910 -2.643 9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 689 183.032 -0.246 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.559 -1.101 12.063 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.507 -0.698 8.928 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.577 -2.215 8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.422 -1.093 10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 689 184.989 -0.872 11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.518 -2.586 11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.998 -1.717 10.366 1.00 0.00 H new ATOM 1446 N ILE A 690 180.865 -4.586 9.225 1.00 0.00 N ATOM 1447 CA ILE A 690 179.858 -5.282 8.433 1.00 0.00 C ATOM 1448 C ILE A 690 179.178 -6.389 9.236 1.00 0.00 C ATOM 1449 O ILE A 690 177.955 -6.418 9.345 1.00 0.00 O ATOM 1450 CB ILE A 690 180.466 -5.875 7.147 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.153 -4.767 6.338 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.388 -6.569 6.322 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.414 -5.122 4.887 1.00 0.00 C ATOM 0 H ILE A 690 181.780 -4.521 8.779 1.00 0.00 H new ATOM 0 HA ILE A 690 179.108 -4.541 8.158 1.00 0.00 H new ATOM 0 HB ILE A 690 181.214 -6.621 7.415 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.534 -3.870 6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.101 -4.520 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.833 -6.983 5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 690 178.943 -7.373 6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.617 -5.848 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.902 -4.284 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 690 182.060 -5.999 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.469 -5.339 4.390 1.00 0.00 H new ATOM 1465 N LEU A 691 179.973 -7.296 9.797 1.00 0.00 N ATOM 1466 CA LEU A 691 179.432 -8.399 10.589 1.00 0.00 C ATOM 1467 C LEU A 691 178.435 -7.891 11.626 1.00 0.00 C ATOM 1468 O LEU A 691 177.325 -8.409 11.749 1.00 0.00 O ATOM 1469 CB LEU A 691 180.567 -9.151 11.283 1.00 0.00 C ATOM 1470 CG LEU A 691 181.215 -10.268 10.462 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.258 -9.907 8.984 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.614 -10.555 10.978 1.00 0.00 C ATOM 0 H LEU A 691 180.990 -7.290 9.719 1.00 0.00 H new ATOM 0 HA LEU A 691 178.909 -9.077 9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.339 -8.433 11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.183 -9.580 12.209 1.00 0.00 H new ATOM 0 HG LEU A 691 180.608 -11.166 10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.723 -10.719 8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.243 -9.749 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.838 -8.994 8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.064 -11.352 10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.223 -9.655 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.560 -10.865 12.022 1.00 0.00 H new ATOM 1484 N GLU A 692 178.841 -6.875 12.366 1.00 0.00 N ATOM 1485 CA GLU A 692 177.990 -6.289 13.394 1.00 0.00 C ATOM 1486 C GLU A 692 176.716 -5.708 12.784 1.00 0.00 C ATOM 1487 O GLU A 692 175.700 -5.564 13.466 1.00 0.00 O ATOM 1488 CB GLU A 692 178.747 -5.194 14.147 1.00 0.00 C ATOM 1489 CG GLU A 692 179.701 -5.729 15.203 1.00 0.00 C ATOM 1490 CD GLU A 692 179.477 -5.100 16.565 1.00 0.00 C ATOM 1491 OE1 GLU A 692 179.904 -3.943 16.761 1.00 0.00 O ATOM 1492 OE2 GLU A 692 178.872 -5.764 17.433 1.00 0.00 O ATOM 0 H GLU A 692 179.757 -6.435 12.276 1.00 0.00 H new ATOM 0 HA GLU A 692 177.711 -7.079 14.091 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.310 -4.595 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.027 -4.528 14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.581 -6.809 15.282 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.728 -5.545 14.886 1.00 0.00 H new ATOM 1499 N SER A 693 176.779 -5.364 11.501 1.00 0.00 N ATOM 1500 CA SER A 693 175.633 -4.783 10.808 1.00 0.00 C ATOM 1501 C SER A 693 174.900 -5.811 9.944 1.00 0.00 C ATOM 1502 O SER A 693 173.787 -5.555 9.483 1.00 0.00 O ATOM 1503 CB SER A 693 176.088 -3.609 9.938 1.00 0.00 C ATOM 1504 OG SER A 693 175.033 -3.148 9.110 1.00 0.00 O ATOM 0 H SER A 693 177.610 -5.477 10.921 1.00 0.00 H new ATOM 0 HA SER A 693 174.936 -4.433 11.569 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.438 -2.795 10.574 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.932 -3.916 9.320 1.00 0.00 H new ATOM 0 HG SER A 693 174.403 -2.621 9.645 1.00 0.00 H new ATOM 1510 N LYS A 694 175.519 -6.968 9.718 1.00 0.00 N ATOM 1511 CA LYS A 694 174.898 -8.008 8.902 1.00 0.00 C ATOM 1512 C LYS A 694 173.779 -8.716 9.666 1.00 0.00 C ATOM 1513 O LYS A 694 172.925 -9.370 9.067 1.00 0.00 O ATOM 1514 CB LYS A 694 175.951 -9.016 8.414 1.00 0.00 C ATOM 1515 CG LYS A 694 176.305 -10.106 9.418 1.00 0.00 C ATOM 1516 CD LYS A 694 176.964 -11.295 8.735 1.00 0.00 C ATOM 1517 CE LYS A 694 177.185 -12.444 9.705 1.00 0.00 C ATOM 1518 NZ LYS A 694 177.158 -13.764 9.018 1.00 0.00 N ATOM 0 H LYS A 694 176.440 -7.207 10.084 1.00 0.00 H new ATOM 0 HA LYS A 694 174.453 -7.529 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 694 175.587 -9.487 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 694 176.859 -8.473 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.976 -9.701 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 694 175.403 -10.435 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 694 176.340 -11.632 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 694 177.919 -10.988 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.144 -12.316 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 694 176.416 -12.421 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 177.313 -14.521 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 176.234 -13.898 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 177.909 -13.797 8.299 1.00 0.00 H new ATOM 1532 N SER A 695 173.787 -8.579 10.989 1.00 0.00 N ATOM 1533 CA SER A 695 172.769 -9.203 11.826 1.00 0.00 C ATOM 1534 C SER A 695 171.510 -8.342 11.883 1.00 0.00 C ATOM 1535 O SER A 695 170.402 -8.855 12.041 1.00 0.00 O ATOM 1536 CB SER A 695 173.310 -9.432 13.238 1.00 0.00 C ATOM 1537 OG SER A 695 173.787 -10.759 13.392 1.00 0.00 O ATOM 0 H SER A 695 174.486 -8.042 11.503 1.00 0.00 H new ATOM 0 HA SER A 695 172.510 -10.165 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 695 174.116 -8.727 13.441 1.00 0.00 H new ATOM 0 HB3 SER A 695 172.524 -9.237 13.968 1.00 0.00 H new ATOM 0 HG SER A 695 174.129 -10.880 14.302 1.00 0.00 H new ATOM 1543 N GLU A 696 171.688 -7.030 11.756 1.00 0.00 N ATOM 1544 CA GLU A 696 170.567 -6.099 11.793 1.00 0.00 C ATOM 1545 C GLU A 696 169.644 -6.310 10.595 1.00 0.00 C ATOM 1546 O GLU A 696 170.070 -6.801 9.550 1.00 0.00 O ATOM 1547 CB GLU A 696 171.078 -4.655 11.815 1.00 0.00 C ATOM 1548 CG GLU A 696 170.914 -3.973 13.163 1.00 0.00 C ATOM 1549 CD GLU A 696 171.520 -2.583 13.190 1.00 0.00 C ATOM 1550 OE1 GLU A 696 170.834 -1.628 12.768 1.00 0.00 O ATOM 1551 OE2 GLU A 696 172.680 -2.450 13.634 1.00 0.00 O ATOM 0 H GLU A 696 172.598 -6.589 11.627 1.00 0.00 H new ATOM 0 HA GLU A 696 169.997 -6.289 12.703 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.132 -4.647 11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.546 -4.078 11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 696 169.854 -3.908 13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 696 171.382 -4.584 13.935 1.00 0.00 H new ATOM 1558 N PRO A 697 168.358 -5.941 10.733 1.00 0.00 N ATOM 1559 CA PRO A 697 167.373 -6.094 9.661 1.00 0.00 C ATOM 1560 C PRO A 697 167.525 -5.044 8.564 1.00 0.00 C ATOM 1561 O PRO A 697 166.889 -5.137 7.513 1.00 0.00 O ATOM 1562 CB PRO A 697 166.040 -5.916 10.387 1.00 0.00 C ATOM 1563 CG PRO A 697 166.356 -5.018 11.532 1.00 0.00 C ATOM 1564 CD PRO A 697 167.765 -5.350 11.950 1.00 0.00 C ATOM 0 HA PRO A 697 167.478 -7.050 9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.288 -5.475 9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.644 -6.872 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.273 -3.971 11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 697 165.658 -5.176 12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 697 168.308 -4.461 12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 697 167.781 -6.051 12.785 1.00 0.00 H new ATOM 1572 N GLN A 698 168.366 -4.042 8.807 1.00 0.00 N ATOM 1573 CA GLN A 698 168.587 -2.981 7.832 1.00 0.00 C ATOM 1574 C GLN A 698 170.036 -2.503 7.859 1.00 0.00 C ATOM 1575 O GLN A 698 170.740 -2.677 8.854 1.00 0.00 O ATOM 1576 CB GLN A 698 167.645 -1.806 8.102 1.00 0.00 C ATOM 1577 CG GLN A 698 167.639 -0.763 6.997 1.00 0.00 C ATOM 1578 CD GLN A 698 166.429 0.147 7.062 1.00 0.00 C ATOM 1579 OE1 GLN A 698 165.314 -0.301 7.333 1.00 0.00 O ATOM 1580 NE2 GLN A 698 166.641 1.434 6.810 1.00 0.00 N ATOM 0 H GLN A 698 168.904 -3.944 9.668 1.00 0.00 H new ATOM 0 HA GLN A 698 168.378 -3.386 6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.632 -2.187 8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.933 -1.329 9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.546 -0.162 7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 698 167.661 -1.264 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 698 167.581 1.762 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 698 165.864 2.094 6.837 1.00 0.00 H new ATOM 1589 N VAL A 699 170.475 -1.904 6.756 1.00 0.00 N ATOM 1590 CA VAL A 699 171.840 -1.405 6.644 1.00 0.00 C ATOM 1591 C VAL A 699 171.880 -0.072 5.902 1.00 0.00 C ATOM 1592 O VAL A 699 171.038 0.207 5.049 1.00 0.00 O ATOM 1593 CB VAL A 699 172.748 -2.419 5.913 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.114 -1.815 5.601 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.896 -3.689 6.737 1.00 0.00 C ATOM 0 H VAL A 699 169.903 -1.753 5.925 1.00 0.00 H new ATOM 0 HA VAL A 699 172.211 -1.261 7.659 1.00 0.00 H new ATOM 0 HB VAL A 699 172.274 -2.673 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.729 -2.553 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 699 173.988 -0.940 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.602 -1.520 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.538 -4.393 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.340 -3.447 7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.915 -4.139 6.892 1.00 0.00 H new ATOM 1605 N GLU A 700 172.879 0.740 6.229 1.00 0.00 N ATOM 1606 CA GLU A 700 173.059 2.040 5.596 1.00 0.00 C ATOM 1607 C GLU A 700 174.491 2.180 5.095 1.00 0.00 C ATOM 1608 O GLU A 700 175.423 2.301 5.889 1.00 0.00 O ATOM 1609 CB GLU A 700 172.737 3.165 6.582 1.00 0.00 C ATOM 1610 CG GLU A 700 172.187 4.417 5.919 1.00 0.00 C ATOM 1611 CD GLU A 700 170.953 4.954 6.618 1.00 0.00 C ATOM 1612 OE1 GLU A 700 170.203 4.146 7.203 1.00 0.00 O ATOM 1613 OE2 GLU A 700 170.737 6.184 6.579 1.00 0.00 O ATOM 0 H GLU A 700 173.581 0.518 6.935 1.00 0.00 H new ATOM 0 HA GLU A 700 172.376 2.113 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 700 172.012 2.802 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.641 3.423 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 700 172.958 5.187 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.944 4.196 4.880 1.00 0.00 H new ATOM 1620 N ILE A 701 174.666 2.148 3.777 1.00 0.00 N ATOM 1621 CA ILE A 701 175.995 2.259 3.189 1.00 0.00 C ATOM 1622 C ILE A 701 176.096 3.455 2.254 1.00 0.00 C ATOM 1623 O ILE A 701 175.172 3.748 1.495 1.00 0.00 O ATOM 1624 CB ILE A 701 176.387 0.982 2.415 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.155 0.342 1.762 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.078 -0.002 3.347 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.439 -0.983 1.086 1.00 0.00 C ATOM 0 H ILE A 701 173.909 2.047 3.101 1.00 0.00 H new ATOM 0 HA ILE A 701 176.686 2.396 4.021 1.00 0.00 H new ATOM 0 HB ILE A 701 177.082 1.255 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.388 0.194 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.745 1.034 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.350 -0.899 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.977 0.457 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.402 -0.269 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.520 -1.373 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.182 -0.839 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.820 -1.692 1.821 1.00 0.00 H new ATOM 1639 N ILE A 702 177.229 4.140 2.317 1.00 0.00 N ATOM 1640 CA ILE A 702 177.470 5.307 1.479 1.00 0.00 C ATOM 1641 C ILE A 702 178.680 5.075 0.584 1.00 0.00 C ATOM 1642 O ILE A 702 179.621 4.386 0.973 1.00 0.00 O ATOM 1643 CB ILE A 702 177.694 6.574 2.328 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.732 6.599 3.520 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.522 7.826 1.479 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.276 6.434 3.136 1.00 0.00 C ATOM 0 H ILE A 702 178.000 3.906 2.943 1.00 0.00 H new ATOM 0 HA ILE A 702 176.584 5.458 0.863 1.00 0.00 H new ATOM 0 HB ILE A 702 178.715 6.555 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 702 177.007 5.804 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.853 7.542 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.684 8.709 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.246 7.815 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.513 7.851 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.658 6.462 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.982 7.243 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.139 5.478 2.631 1.00 0.00 H new ATOM 1658 N VAL A 703 178.651 5.643 -0.614 1.00 0.00 N ATOM 1659 CA VAL A 703 179.752 5.479 -1.554 1.00 0.00 C ATOM 1660 C VAL A 703 180.224 6.816 -2.109 1.00 0.00 C ATOM 1661 O VAL A 703 179.674 7.869 -1.786 1.00 0.00 O ATOM 1662 CB VAL A 703 179.352 4.566 -2.726 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.263 3.122 -2.266 1.00 0.00 C ATOM 1664 CG2 VAL A 703 178.037 5.024 -3.336 1.00 0.00 C ATOM 0 H VAL A 703 177.882 6.218 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 703 180.569 5.019 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 703 180.121 4.632 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.979 2.489 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.232 2.802 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.514 3.037 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.771 4.366 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.253 4.990 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.142 6.045 -3.704 1.00 0.00 H new ATOM 1674 N SER A 704 181.252 6.759 -2.948 1.00 0.00 N ATOM 1675 CA SER A 704 181.814 7.958 -3.558 1.00 0.00 C ATOM 1676 C SER A 704 182.216 7.694 -5.005 1.00 0.00 C ATOM 1677 O SER A 704 183.129 6.912 -5.273 1.00 0.00 O ATOM 1678 CB SER A 704 183.027 8.441 -2.759 1.00 0.00 C ATOM 1679 OG SER A 704 184.182 7.686 -3.081 1.00 0.00 O ATOM 0 H SER A 704 181.714 5.892 -3.222 1.00 0.00 H new ATOM 0 HA SER A 704 181.049 8.734 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 704 183.208 9.495 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 704 182.820 8.358 -1.692 1.00 0.00 H new ATOM 0 HG SER A 704 183.956 7.017 -3.760 1.00 0.00 H new ATOM 1741 N GLY B 945 186.186 -9.708 0.231 1.00 0.00 N ATOM 1742 CA GLY B 945 186.359 -9.399 1.639 1.00 0.00 C ATOM 1743 C GLY B 945 185.262 -9.985 2.505 1.00 0.00 C ATOM 1744 O GLY B 945 185.520 -10.850 3.342 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.324 -9.780 1.975 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.380 -8.317 1.769 1.00 0.00 H new ATOM 1748 N ILE B 946 184.034 -9.517 2.305 1.00 0.00 N ATOM 1749 CA ILE B 946 182.899 -10.004 3.079 1.00 0.00 C ATOM 1750 C ILE B 946 181.675 -10.194 2.201 1.00 0.00 C ATOM 1751 O ILE B 946 181.553 -9.582 1.141 1.00 0.00 O ATOM 1752 CB ILE B 946 182.515 -9.055 4.234 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.685 -8.146 4.614 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.053 -9.861 5.442 1.00 0.00 C ATOM 1755 CD1 ILE B 946 183.480 -7.438 5.933 1.00 0.00 C ATOM 0 H ILE B 946 183.800 -8.803 1.615 1.00 0.00 H new ATOM 0 HA ILE B 946 183.219 -10.958 3.497 1.00 0.00 H new ATOM 0 HB ILE B 946 181.695 -8.421 3.896 1.00 0.00 H new ATOM 0 HG12 ILE B 946 184.597 -8.740 4.665 1.00 0.00 H new ATOM 0 HG13 ILE B 946 183.831 -7.404 3.829 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.784 -9.182 6.251 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.185 -10.461 5.169 1.00 0.00 H new ATOM 0 HG23 ILE B 946 182.859 -10.517 5.771 1.00 0.00 H new ATOM 0 HD11 ILE B 946 184.344 -6.809 6.146 1.00 0.00 H new ATOM 0 HD12 ILE B 946 182.585 -6.819 5.878 1.00 0.00 H new ATOM 0 HD13 ILE B 946 183.363 -8.175 6.727 1.00 0.00 H new ATOM 1767 N TRP B 947 180.760 -11.032 2.664 1.00 0.00 N ATOM 1768 CA TRP B 947 179.530 -11.289 1.935 1.00 0.00 C ATOM 1769 C TRP B 947 178.439 -10.343 2.407 1.00 0.00 C ATOM 1770 O TRP B 947 178.055 -10.354 3.577 1.00 0.00 O ATOM 1771 CB TRP B 947 179.091 -12.746 2.105 1.00 0.00 C ATOM 1772 CG TRP B 947 179.234 -13.549 0.847 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.756 -14.806 0.731 1.00 0.00 C ATOM 1774 CD2 TRP B 947 178.855 -13.148 -0.476 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.724 -15.209 -0.582 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.176 -14.209 -1.342 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.275 -11.994 -1.013 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 178.936 -14.150 -2.714 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.036 -11.937 -2.373 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.367 -13.009 -3.210 1.00 0.00 C ATOM 0 H TRP B 947 180.847 -11.545 3.541 1.00 0.00 H new ATOM 0 HA TRP B 947 179.712 -11.115 0.874 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.683 -13.209 2.895 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.051 -12.771 2.430 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.138 -15.396 1.551 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.055 -16.107 -0.934 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.018 -11.161 -0.375 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.190 -14.976 -3.362 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.587 -11.051 -2.797 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.169 -12.934 -4.269 1.00 0.00 H new ATOM 1791 N ALA B 948 177.948 -9.516 1.492 1.00 0.00 N ATOM 1792 CA ALA B 948 176.905 -8.556 1.813 1.00 0.00 C ATOM 1793 C ALA B 948 175.938 -8.399 0.647 1.00 0.00 C ATOM 1794 O ALA B 948 175.415 -9.425 0.168 1.00 0.00 O ATOM 1795 CB ALA B 948 177.525 -7.216 2.181 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.717 -7.249 0.212 1.00 0.00 O ATOM 0 H ALA B 948 178.258 -9.493 0.520 1.00 0.00 H new ATOM 0 HA ALA B 948 176.342 -8.928 2.669 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.736 -6.503 2.420 1.00 0.00 H new ATOM 0 HB2 ALA B 948 178.175 -7.341 3.047 1.00 0.00 H new ATOM 0 HB3 ALA B 948 178.109 -6.842 1.340 1.00 0.00 H new