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 -86:sc= 0.414! USER MOD Set 1.2: A 683 ASN : amide:sc= 0.27 K(o=0.68,f=-7.7!) USER MOD Set 1.3: A 687 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 650 THR OG1 : rot 110:sc= -2.27 USER MOD Single : A 617 ASN : amide:sc= -3.05 K(o=-3.1,f=-4.2!) USER MOD Single : A 618 LYS NZ :NH3+ 167:sc= -1.18 (180deg=-1.53) USER MOD Single : A 638 LYS NZ :NH3+ 154:sc= -0.468 (180deg=-1.59!) USER MOD Single : A 651 LYS NZ :NH3+ 175:sc=-0.00153 (180deg=-0.0347) 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 -87:sc= -0.111 USER MOD Single : A 663 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 674 ASN : amide:sc= -2.28 X(o=-2.3,f=-1.9) USER MOD Single : A 676 LYS NZ :NH3+ -179:sc= -0.0327 (180deg=-0.0329) USER MOD Single : A 688 ASN : amide:sc=-0.00503 X(o=-0.005,f=0) USER MOD Single : A 693 SER OG : rot -61:sc= 1.26 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 698 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.012) USER MOD Single : A 704 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.127 9.425 -2.457 1.00 0.00 N ATOM 248 CA GLY A 612 174.765 8.957 -2.299 1.00 0.00 C ATOM 249 C GLY A 612 174.573 8.128 -1.046 1.00 0.00 C ATOM 250 O GLY A 612 175.536 7.597 -0.492 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.092 9.814 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.486 8.363 -3.169 1.00 0.00 H new ATOM 254 N ARG A 613 173.326 8.005 -0.606 1.00 0.00 N ATOM 255 CA ARG A 613 173.007 7.221 0.582 1.00 0.00 C ATOM 256 C ARG A 613 172.247 5.961 0.191 1.00 0.00 C ATOM 257 O ARG A 613 171.170 6.038 -0.400 1.00 0.00 O ATOM 258 CB ARG A 613 172.178 8.051 1.564 1.00 0.00 C ATOM 259 CG ARG A 613 171.005 8.767 0.916 1.00 0.00 C ATOM 260 CD ARG A 613 169.984 9.212 1.951 1.00 0.00 C ATOM 261 NE ARG A 613 169.064 8.136 2.312 1.00 0.00 N ATOM 262 CZ ARG A 613 167.996 8.303 3.088 1.00 0.00 C ATOM 263 NH1 ARG A 613 167.709 9.499 3.586 1.00 0.00 N ATOM 264 NH2 ARG A 613 167.212 7.271 3.367 1.00 0.00 N ATOM 0 H ARG A 613 172.519 8.438 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 613 173.939 6.935 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 613 171.804 7.398 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 613 172.825 8.788 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 613 171.367 9.634 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 613 170.528 8.105 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 613 170.502 9.561 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 613 169.417 10.057 1.561 1.00 0.00 H new ATOM 0 HE ARG A 613 169.251 7.202 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 613 168.308 10.297 3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 613 166.889 9.621 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 613 167.428 6.349 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 613 166.393 7.399 3.962 1.00 0.00 H new ATOM 278 N VAL A 614 172.815 4.797 0.499 1.00 0.00 N ATOM 279 CA VAL A 614 172.181 3.538 0.147 1.00 0.00 C ATOM 280 C VAL A 614 171.735 2.767 1.383 1.00 0.00 C ATOM 281 O VAL A 614 172.539 2.452 2.258 1.00 0.00 O ATOM 282 CB VAL A 614 173.126 2.654 -0.691 1.00 0.00 C ATOM 283 CG1 VAL A 614 172.448 1.345 -1.074 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.591 3.402 -1.931 1.00 0.00 C ATOM 0 H VAL A 614 173.706 4.704 0.987 1.00 0.00 H new ATOM 0 HA VAL A 614 171.301 3.786 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 614 173.999 2.415 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 614 173.135 0.739 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 614 172.169 0.802 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.554 1.556 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.257 2.764 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.727 3.673 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.122 4.306 -1.633 1.00 0.00 H new ATOM 294 N ILE A 615 170.447 2.454 1.436 1.00 0.00 N ATOM 295 CA ILE A 615 169.884 1.705 2.551 1.00 0.00 C ATOM 296 C ILE A 615 169.514 0.298 2.103 1.00 0.00 C ATOM 297 O ILE A 615 168.688 0.121 1.208 1.00 0.00 O ATOM 298 CB ILE A 615 168.634 2.393 3.135 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.792 3.916 3.103 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.385 1.913 4.556 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.994 4.415 3.874 1.00 0.00 C ATOM 0 H ILE A 615 169.770 2.709 0.717 1.00 0.00 H new ATOM 0 HA ILE A 615 170.646 1.664 3.329 1.00 0.00 H new ATOM 0 HB ILE A 615 167.773 2.126 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.874 4.243 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.892 4.375 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.500 2.406 4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.229 0.834 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.247 2.154 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 615 170.043 5.502 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.905 4.119 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.902 3.984 3.451 1.00 0.00 H new ATOM 313 N LEU A 616 170.133 -0.703 2.718 1.00 0.00 N ATOM 314 CA LEU A 616 169.865 -2.090 2.365 1.00 0.00 C ATOM 315 C LEU A 616 169.257 -2.850 3.538 1.00 0.00 C ATOM 316 O LEU A 616 169.540 -2.554 4.698 1.00 0.00 O ATOM 317 CB LEU A 616 171.150 -2.775 1.893 1.00 0.00 C ATOM 318 CG LEU A 616 171.321 -2.823 0.375 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.681 -3.389 -0.005 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.208 -3.645 -0.253 1.00 0.00 C ATOM 0 H LEU A 616 170.821 -0.580 3.461 1.00 0.00 H new ATOM 0 HA LEU A 616 169.141 -2.097 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 616 172.004 -2.255 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.167 -3.794 2.280 1.00 0.00 H new ATOM 0 HG LEU A 616 171.264 -1.804 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.775 -3.412 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.467 -2.761 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.777 -4.401 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.341 -3.672 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.239 -4.661 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.244 -3.193 -0.017 1.00 0.00 H new ATOM 332 N ASN A 617 168.414 -3.826 3.224 1.00 0.00 N ATOM 333 CA ASN A 617 167.755 -4.629 4.245 1.00 0.00 C ATOM 334 C ASN A 617 167.977 -6.117 3.995 1.00 0.00 C ATOM 335 O ASN A 617 167.544 -6.656 2.977 1.00 0.00 O ATOM 336 CB ASN A 617 166.255 -4.315 4.263 1.00 0.00 C ATOM 337 CG ASN A 617 165.473 -5.230 5.186 1.00 0.00 C ATOM 338 OD1 ASN A 617 165.430 -6.443 4.984 1.00 0.00 O ATOM 339 ND2 ASN A 617 164.848 -4.651 6.206 1.00 0.00 N ATOM 0 H ASN A 617 168.170 -4.081 2.267 1.00 0.00 H new ATOM 0 HA ASN A 617 168.187 -4.380 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 617 166.109 -3.281 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 617 165.858 -4.402 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 617 164.306 -5.216 6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 617 164.911 -3.641 6.336 1.00 0.00 H new ATOM 346 N LYS A 618 168.652 -6.779 4.930 1.00 0.00 N ATOM 347 CA LYS A 618 168.927 -8.205 4.812 1.00 0.00 C ATOM 348 C LYS A 618 168.007 -9.011 5.723 1.00 0.00 C ATOM 349 O LYS A 618 168.412 -10.024 6.292 1.00 0.00 O ATOM 350 CB LYS A 618 170.388 -8.492 5.168 1.00 0.00 C ATOM 351 CG LYS A 618 170.853 -7.787 6.433 1.00 0.00 C ATOM 352 CD LYS A 618 171.892 -8.607 7.181 1.00 0.00 C ATOM 353 CE LYS A 618 173.279 -8.426 6.585 1.00 0.00 C ATOM 354 NZ LYS A 618 173.770 -7.029 6.737 1.00 0.00 N ATOM 0 H LYS A 618 169.019 -6.349 5.779 1.00 0.00 H new ATOM 0 HA LYS A 618 168.743 -8.503 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.519 -9.567 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.023 -8.186 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.273 -6.815 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 618 169.998 -7.602 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 618 171.904 -8.311 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.616 -9.661 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 618 173.975 -9.110 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.257 -8.690 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 174.787 -6.993 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.257 -6.407 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 173.609 -6.709 7.713 1.00 0.00 H new ATOM 516 N LEU A 629 172.934 -12.094 1.573 1.00 0.00 N ATOM 517 CA LEU A 629 172.978 -11.081 2.623 1.00 0.00 C ATOM 518 C LEU A 629 172.066 -9.905 2.271 1.00 0.00 C ATOM 519 O LEU A 629 170.934 -9.828 2.749 1.00 0.00 O ATOM 520 CB LEU A 629 174.413 -10.592 2.859 1.00 0.00 C ATOM 521 CG LEU A 629 175.530 -11.613 2.596 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.272 -12.917 3.326 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.709 -11.861 1.105 1.00 0.00 C ATOM 0 HA LEU A 629 172.620 -11.538 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.587 -9.723 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.494 -10.254 3.892 1.00 0.00 H new ATOM 0 HG LEU A 629 176.456 -11.188 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.081 -13.617 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.221 -12.730 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.328 -13.343 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.506 -12.588 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.780 -12.247 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.969 -10.926 0.609 1.00 0.00 H new ATOM 535 N LEU A 630 172.552 -9.002 1.422 1.00 0.00 N ATOM 536 CA LEU A 630 171.758 -7.849 1.002 1.00 0.00 C ATOM 537 C LEU A 630 171.730 -7.738 -0.525 1.00 0.00 C ATOM 538 O LEU A 630 170.666 -7.534 -1.109 1.00 0.00 O ATOM 539 CB LEU A 630 172.267 -6.542 1.631 1.00 0.00 C ATOM 540 CG LEU A 630 173.688 -6.578 2.191 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.205 -5.168 2.432 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.745 -7.395 3.472 1.00 0.00 C ATOM 0 H LEU A 630 173.486 -9.045 1.013 1.00 0.00 H new ATOM 0 HA LEU A 630 170.741 -8.008 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 630 172.214 -5.755 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.588 -6.260 2.435 1.00 0.00 H new ATOM 0 HG LEU A 630 174.331 -7.058 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.218 -5.215 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 630 174.210 -4.617 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.557 -4.660 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.767 -7.406 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 630 173.086 -6.950 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.423 -8.416 3.267 1.00 0.00 H new ATOM 554 N GLY A 631 172.885 -7.899 -1.183 1.00 0.00 N ATOM 555 CA GLY A 631 172.896 -7.831 -2.640 1.00 0.00 C ATOM 556 C GLY A 631 174.229 -7.444 -3.280 1.00 0.00 C ATOM 557 O GLY A 631 174.267 -7.161 -4.477 1.00 0.00 O ATOM 0 H GLY A 631 173.790 -8.071 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.595 -8.803 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.141 -7.112 -2.957 1.00 0.00 H new ATOM 561 N LEU A 632 175.323 -7.438 -2.520 1.00 0.00 N ATOM 562 CA LEU A 632 176.626 -7.088 -3.094 1.00 0.00 C ATOM 563 C LEU A 632 177.787 -7.573 -2.225 1.00 0.00 C ATOM 564 O LEU A 632 177.653 -7.727 -1.018 1.00 0.00 O ATOM 565 CB LEU A 632 176.724 -5.573 -3.356 1.00 0.00 C ATOM 566 CG LEU A 632 176.845 -4.652 -2.130 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.642 -4.791 -1.209 1.00 0.00 C ATOM 568 CD2 LEU A 632 178.137 -4.912 -1.372 1.00 0.00 C ATOM 0 H LEU A 632 175.338 -7.666 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 632 176.706 -7.606 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.588 -5.397 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 632 175.842 -5.270 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 632 176.868 -3.625 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.760 -4.126 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.735 -4.525 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.567 -5.821 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.194 -4.246 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 632 178.157 -5.947 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.987 -4.729 -2.029 1.00 0.00 H new ATOM 580 N LYS A 633 178.938 -7.798 -2.848 1.00 0.00 N ATOM 581 CA LYS A 633 180.121 -8.246 -2.119 1.00 0.00 C ATOM 582 C LYS A 633 181.104 -7.091 -1.969 1.00 0.00 C ATOM 583 O LYS A 633 181.414 -6.407 -2.942 1.00 0.00 O ATOM 584 CB LYS A 633 180.786 -9.416 -2.848 1.00 0.00 C ATOM 585 CG LYS A 633 181.263 -10.521 -1.919 1.00 0.00 C ATOM 586 CD LYS A 633 182.669 -10.982 -2.270 1.00 0.00 C ATOM 587 CE LYS A 633 182.648 -12.267 -3.082 1.00 0.00 C ATOM 588 NZ LYS A 633 183.912 -12.465 -3.843 1.00 0.00 N ATOM 0 H LYS A 633 179.078 -7.679 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 633 179.817 -8.585 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.080 -9.835 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.635 -9.041 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 633 181.243 -10.165 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 633 180.578 -11.367 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 633 183.178 -10.202 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 633 183.241 -11.138 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 633 182.489 -13.115 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 633 181.807 -12.245 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 183.857 -13.352 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 184.051 -11.669 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 184.712 -12.512 -3.181 1.00 0.00 H new ATOM 602 N VAL A 634 181.572 -6.856 -0.746 1.00 0.00 N ATOM 603 CA VAL A 634 182.496 -5.756 -0.491 1.00 0.00 C ATOM 604 C VAL A 634 183.876 -6.232 -0.060 1.00 0.00 C ATOM 605 O VAL A 634 184.038 -7.316 0.500 1.00 0.00 O ATOM 606 CB VAL A 634 181.940 -4.800 0.584 1.00 0.00 C ATOM 607 CG1 VAL A 634 183.060 -4.016 1.262 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.923 -3.859 -0.033 1.00 0.00 C ATOM 0 H VAL A 634 181.329 -7.407 0.077 1.00 0.00 H new ATOM 0 HA VAL A 634 182.599 -5.230 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 634 181.447 -5.398 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.635 -3.351 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.752 -4.710 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.594 -3.426 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.536 -3.188 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.399 -3.274 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.102 -4.438 -0.457 1.00 0.00 H new ATOM 618 N VAL A 635 184.862 -5.384 -0.328 1.00 0.00 N ATOM 619 CA VAL A 635 186.241 -5.662 0.022 1.00 0.00 C ATOM 620 C VAL A 635 186.853 -4.488 0.779 1.00 0.00 C ATOM 621 O VAL A 635 186.841 -3.360 0.296 1.00 0.00 O ATOM 622 CB VAL A 635 187.064 -5.961 -1.248 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.388 -5.210 -1.263 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.287 -7.449 -1.370 1.00 0.00 C ATOM 0 H VAL A 635 184.724 -4.487 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 635 186.260 -6.538 0.670 1.00 0.00 H new ATOM 0 HB VAL A 635 186.495 -5.610 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 635 188.933 -5.452 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.198 -4.137 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.982 -5.503 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 635 187.869 -7.657 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.829 -7.809 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.325 -7.957 -1.435 1.00 0.00 H new ATOM 634 N GLY A 636 187.390 -4.759 1.964 1.00 0.00 N ATOM 635 CA GLY A 636 187.997 -3.708 2.758 1.00 0.00 C ATOM 636 C GLY A 636 189.508 -3.816 2.809 1.00 0.00 C ATOM 637 O GLY A 636 190.087 -4.774 2.298 1.00 0.00 O ATOM 0 H GLY A 636 187.416 -5.686 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.719 -2.739 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.599 -3.748 3.772 1.00 0.00 H new ATOM 641 N GLY A 637 190.147 -2.830 3.429 1.00 0.00 N ATOM 642 CA GLY A 637 191.595 -2.836 3.535 1.00 0.00 C ATOM 643 C GLY A 637 192.274 -2.395 2.254 1.00 0.00 C ATOM 644 O GLY A 637 193.408 -2.787 1.978 1.00 0.00 O ATOM 0 H GLY A 637 189.689 -2.027 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.899 -2.177 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.933 -3.839 3.794 1.00 0.00 H new ATOM 648 N LYS A 638 191.579 -1.579 1.468 1.00 0.00 N ATOM 649 CA LYS A 638 192.122 -1.084 0.208 1.00 0.00 C ATOM 650 C LYS A 638 192.578 0.365 0.347 1.00 0.00 C ATOM 651 O LYS A 638 191.800 1.295 0.126 1.00 0.00 O ATOM 652 CB LYS A 638 191.078 -1.201 -0.903 1.00 0.00 C ATOM 653 CG LYS A 638 190.656 -2.634 -1.191 1.00 0.00 C ATOM 654 CD LYS A 638 191.849 -3.505 -1.549 1.00 0.00 C ATOM 655 CE LYS A 638 191.466 -4.602 -2.531 1.00 0.00 C ATOM 656 NZ LYS A 638 190.716 -4.065 -3.701 1.00 0.00 N ATOM 0 H LYS A 638 190.639 -1.247 1.681 1.00 0.00 H new ATOM 0 HA LYS A 638 192.986 -1.695 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.198 -0.620 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.478 -0.758 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 638 190.151 -3.048 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.937 -2.645 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 638 192.635 -2.886 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 638 192.258 -3.953 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 638 192.367 -5.108 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 638 190.857 -5.349 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 190.851 -4.694 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 189.704 -4.011 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 191.069 -3.115 -3.933 1.00 0.00 H new ATOM 763 N LEU A 645 192.023 3.779 4.576 1.00 0.00 N ATOM 764 CA LEU A 645 191.492 2.485 4.164 1.00 0.00 C ATOM 765 C LEU A 645 189.982 2.555 3.963 1.00 0.00 C ATOM 766 O LEU A 645 189.283 3.268 4.682 1.00 0.00 O ATOM 767 CB LEU A 645 191.831 1.415 5.204 1.00 0.00 C ATOM 768 CG LEU A 645 193.289 0.950 5.204 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.484 -0.193 6.186 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.715 0.531 3.805 1.00 0.00 C ATOM 0 HA LEU A 645 191.955 2.217 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.589 1.803 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.190 0.550 5.035 1.00 0.00 H new ATOM 0 HG LEU A 645 193.916 1.784 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.527 -0.511 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.219 0.140 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 645 192.846 -1.030 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 645 194.754 0.203 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.083 -0.288 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.614 1.377 3.125 1.00 0.00 H new ATOM 782 N GLY A 646 189.487 1.811 2.980 1.00 0.00 N ATOM 783 CA GLY A 646 188.062 1.805 2.701 1.00 0.00 C ATOM 784 C GLY A 646 187.570 0.455 2.217 1.00 0.00 C ATOM 785 O GLY A 646 188.243 -0.560 2.399 1.00 0.00 O ATOM 0 H GLY A 646 190.046 1.212 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.517 2.084 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 646 187.840 2.561 1.947 1.00 0.00 H new ATOM 789 N ALA A 647 186.391 0.444 1.601 1.00 0.00 N ATOM 790 CA ALA A 647 185.808 -0.792 1.092 1.00 0.00 C ATOM 791 C ALA A 647 185.389 -0.646 -0.369 1.00 0.00 C ATOM 792 O ALA A 647 184.994 0.435 -0.803 1.00 0.00 O ATOM 793 CB ALA A 647 184.619 -1.204 1.946 1.00 0.00 C ATOM 0 H ALA A 647 185.822 1.276 1.443 1.00 0.00 H new ATOM 0 HA ALA A 647 186.569 -1.571 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.193 -2.128 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.946 -1.362 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.864 -0.418 1.922 1.00 0.00 H new ATOM 799 N PHE A 648 185.475 -1.740 -1.126 1.00 0.00 N ATOM 800 CA PHE A 648 185.100 -1.723 -2.537 1.00 0.00 C ATOM 801 C PHE A 648 184.241 -2.934 -2.885 1.00 0.00 C ATOM 802 O PHE A 648 184.527 -4.051 -2.459 1.00 0.00 O ATOM 803 CB PHE A 648 186.350 -1.698 -3.417 1.00 0.00 C ATOM 804 CG PHE A 648 187.118 -0.410 -3.334 1.00 0.00 C ATOM 805 CD1 PHE A 648 188.014 -0.189 -2.301 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.942 0.579 -4.289 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.722 0.996 -2.221 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.648 1.765 -4.214 1.00 0.00 C ATOM 809 CZ PHE A 648 188.539 1.974 -3.179 1.00 0.00 C ATOM 0 H PHE A 648 185.800 -2.645 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 648 184.516 -0.821 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.004 -2.521 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.058 -1.871 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.161 -0.951 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 648 186.246 0.421 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.417 1.157 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 648 187.503 2.528 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 648 189.091 2.900 -3.119 1.00 0.00 H new ATOM 819 N ILE A 649 183.188 -2.708 -3.666 1.00 0.00 N ATOM 820 CA ILE A 649 182.295 -3.789 -4.066 1.00 0.00 C ATOM 821 C ILE A 649 182.940 -4.661 -5.141 1.00 0.00 C ATOM 822 O ILE A 649 183.280 -4.181 -6.222 1.00 0.00 O ATOM 823 CB ILE A 649 180.949 -3.246 -4.594 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.222 -2.461 -3.499 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.071 -4.382 -5.100 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.215 -1.468 -4.038 1.00 0.00 C ATOM 0 H ILE A 649 182.934 -1.791 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 649 182.107 -4.391 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 649 181.156 -2.574 -5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.712 -3.162 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.957 -1.930 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.128 -3.977 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.582 -4.904 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.874 -5.080 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.737 -0.947 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.723 -0.745 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.458 -1.996 -4.619 1.00 0.00 H new ATOM 838 N THR A 650 183.111 -5.943 -4.835 1.00 0.00 N ATOM 839 CA THR A 650 183.720 -6.877 -5.776 1.00 0.00 C ATOM 840 C THR A 650 182.700 -7.380 -6.794 1.00 0.00 C ATOM 841 O THR A 650 183.046 -7.658 -7.942 1.00 0.00 O ATOM 842 CB THR A 650 184.345 -8.061 -5.034 1.00 0.00 C ATOM 843 OG1 THR A 650 183.368 -9.043 -4.742 1.00 0.00 O ATOM 844 CG2 THR A 650 185.013 -7.675 -3.732 1.00 0.00 C ATOM 0 H THR A 650 182.837 -6.359 -3.945 1.00 0.00 H new ATOM 0 HA THR A 650 184.504 -6.341 -6.311 1.00 0.00 H new ATOM 0 HB THR A 650 185.107 -8.450 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.526 -9.836 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.433 -8.564 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.810 -6.958 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.278 -7.225 -3.065 1.00 0.00 H new ATOM 852 N LYS A 651 181.445 -7.504 -6.371 1.00 0.00 N ATOM 853 CA LYS A 651 180.392 -7.983 -7.262 1.00 0.00 C ATOM 854 C LYS A 651 179.003 -7.688 -6.702 1.00 0.00 C ATOM 855 O LYS A 651 178.820 -7.559 -5.492 1.00 0.00 O ATOM 856 CB LYS A 651 180.548 -9.486 -7.507 1.00 0.00 C ATOM 857 CG LYS A 651 180.265 -10.341 -6.281 1.00 0.00 C ATOM 858 CD LYS A 651 180.803 -11.754 -6.452 1.00 0.00 C ATOM 859 CE LYS A 651 179.952 -12.558 -7.422 1.00 0.00 C ATOM 860 NZ LYS A 651 178.714 -13.075 -6.779 1.00 0.00 N ATOM 0 H LYS A 651 181.134 -7.282 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 651 180.493 -7.450 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.875 -9.785 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.563 -9.685 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.718 -9.881 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.190 -10.379 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 651 181.830 -11.712 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 651 180.827 -12.255 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 651 179.684 -11.933 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 651 180.535 -13.393 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 178.122 -13.544 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 178.968 -13.758 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 178.186 -12.285 -6.357 1.00 0.00 H new ATOM 874 N VAL A 652 178.028 -7.591 -7.601 1.00 0.00 N ATOM 875 CA VAL A 652 176.644 -7.319 -7.217 1.00 0.00 C ATOM 876 C VAL A 652 175.700 -8.357 -7.816 1.00 0.00 C ATOM 877 O VAL A 652 175.770 -8.659 -9.008 1.00 0.00 O ATOM 878 CB VAL A 652 176.176 -5.913 -7.664 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.069 -4.976 -6.473 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.105 -5.332 -8.719 1.00 0.00 C ATOM 0 H VAL A 652 178.171 -7.697 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 652 176.614 -7.367 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 652 175.187 -6.019 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.739 -3.994 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.348 -5.375 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 652 177.043 -4.885 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.750 -4.344 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.112 -5.249 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.120 -5.986 -9.591 1.00 0.00 H new ATOM 890 N LYS A 653 174.811 -8.892 -6.987 1.00 0.00 N ATOM 891 CA LYS A 653 173.847 -9.886 -7.444 1.00 0.00 C ATOM 892 C LYS A 653 172.692 -9.212 -8.180 1.00 0.00 C ATOM 893 O LYS A 653 171.838 -8.575 -7.564 1.00 0.00 O ATOM 894 CB LYS A 653 173.317 -10.698 -6.258 1.00 0.00 C ATOM 895 CG LYS A 653 173.793 -12.141 -6.250 1.00 0.00 C ATOM 896 CD LYS A 653 173.105 -12.964 -7.328 1.00 0.00 C ATOM 897 CE LYS A 653 174.061 -13.319 -8.457 1.00 0.00 C ATOM 898 NZ LYS A 653 173.370 -14.031 -9.567 1.00 0.00 N ATOM 0 H LYS A 653 174.738 -8.655 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 653 174.351 -10.563 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 653 173.627 -10.216 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.227 -10.683 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 653 174.872 -12.170 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 653 173.598 -12.584 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 653 172.704 -13.878 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 653 172.259 -12.405 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 653 174.523 -12.409 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 653 174.865 -13.945 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 174.056 -14.255 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 172.951 -14.912 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 172.620 -13.424 -9.955 1.00 0.00 H new ATOM 912 N LYS A 654 172.676 -9.354 -9.502 1.00 0.00 N ATOM 913 CA LYS A 654 171.630 -8.755 -10.326 1.00 0.00 C ATOM 914 C LYS A 654 170.243 -9.184 -9.856 1.00 0.00 C ATOM 915 O LYS A 654 169.809 -10.307 -10.112 1.00 0.00 O ATOM 916 CB LYS A 654 171.828 -9.141 -11.794 1.00 0.00 C ATOM 917 CG LYS A 654 172.339 -8.001 -12.661 1.00 0.00 C ATOM 918 CD LYS A 654 173.838 -8.104 -12.890 1.00 0.00 C ATOM 919 CE LYS A 654 174.286 -7.221 -14.044 1.00 0.00 C ATOM 920 NZ LYS A 654 174.268 -7.951 -15.341 1.00 0.00 N ATOM 0 H LYS A 654 173.376 -9.879 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 654 171.703 -7.672 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.531 -9.972 -11.851 1.00 0.00 H new ATOM 0 HB3 LYS A 654 170.880 -9.497 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 654 171.822 -8.012 -13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 654 172.107 -7.048 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 654 174.367 -7.814 -11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 654 174.105 -9.140 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 654 173.634 -6.350 -14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 654 175.293 -6.852 -13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 174.580 -7.314 -16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 174.909 -8.768 -15.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 173.302 -8.281 -15.540 1.00 0.00 H new ATOM 934 N GLY A 655 169.552 -8.280 -9.166 1.00 0.00 N ATOM 935 CA GLY A 655 168.221 -8.583 -8.671 1.00 0.00 C ATOM 936 C GLY A 655 168.117 -8.441 -7.166 1.00 0.00 C ATOM 937 O GLY A 655 167.042 -8.163 -6.636 1.00 0.00 O ATOM 0 H GLY A 655 169.890 -7.344 -8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.500 -7.918 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 655 167.953 -9.600 -8.956 1.00 0.00 H new ATOM 941 N SER A 656 169.235 -8.631 -6.476 1.00 0.00 N ATOM 942 CA SER A 656 169.262 -8.522 -5.024 1.00 0.00 C ATOM 943 C SER A 656 168.853 -7.124 -4.578 1.00 0.00 C ATOM 944 O SER A 656 168.753 -6.205 -5.391 1.00 0.00 O ATOM 945 CB SER A 656 170.657 -8.851 -4.494 1.00 0.00 C ATOM 946 OG SER A 656 171.636 -8.005 -5.071 1.00 0.00 O ATOM 0 H SER A 656 170.134 -8.861 -6.899 1.00 0.00 H new ATOM 0 HA SER A 656 168.548 -9.238 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 656 170.672 -8.742 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.896 -9.891 -4.713 1.00 0.00 H new ATOM 0 HG SER A 656 171.946 -8.392 -5.916 1.00 0.00 H new ATOM 952 N LEU A 657 168.615 -6.969 -3.281 1.00 0.00 N ATOM 953 CA LEU A 657 168.214 -5.682 -2.726 1.00 0.00 C ATOM 954 C LEU A 657 169.242 -4.603 -3.044 1.00 0.00 C ATOM 955 O LEU A 657 168.896 -3.518 -3.513 1.00 0.00 O ATOM 956 CB LEU A 657 168.028 -5.793 -1.211 1.00 0.00 C ATOM 957 CG LEU A 657 166.811 -6.608 -0.768 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.167 -7.510 0.404 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.659 -5.683 -0.405 1.00 0.00 C ATOM 0 H LEU A 657 168.693 -7.719 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 657 167.266 -5.399 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.923 -6.243 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.945 -4.789 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 657 166.497 -7.240 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.288 -8.081 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 657 167.961 -8.195 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 657 167.507 -6.901 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 657 164.800 -6.277 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 657 165.963 -5.026 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.387 -5.082 -1.273 1.00 0.00 H new ATOM 971 N ALA A 658 170.506 -4.908 -2.782 1.00 0.00 N ATOM 972 CA ALA A 658 171.597 -3.969 -3.030 1.00 0.00 C ATOM 973 C ALA A 658 171.506 -3.354 -4.422 1.00 0.00 C ATOM 974 O ALA A 658 171.832 -2.185 -4.617 1.00 0.00 O ATOM 975 CB ALA A 658 172.939 -4.665 -2.852 1.00 0.00 C ATOM 0 H ALA A 658 170.804 -5.803 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 658 171.510 -3.161 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.745 -3.955 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 658 173.020 -5.045 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 658 173.015 -5.494 -3.555 1.00 0.00 H new ATOM 981 N ASP A 659 171.075 -4.153 -5.387 1.00 0.00 N ATOM 982 CA ASP A 659 170.958 -3.690 -6.766 1.00 0.00 C ATOM 983 C ASP A 659 169.685 -2.876 -6.986 1.00 0.00 C ATOM 984 O ASP A 659 169.726 -1.784 -7.552 1.00 0.00 O ATOM 985 CB ASP A 659 170.985 -4.884 -7.725 1.00 0.00 C ATOM 986 CG ASP A 659 172.142 -4.813 -8.704 1.00 0.00 C ATOM 987 OD1 ASP A 659 173.305 -4.793 -8.247 1.00 0.00 O ATOM 988 OD2 ASP A 659 171.886 -4.777 -9.926 1.00 0.00 O ATOM 0 H ASP A 659 170.800 -5.125 -5.243 1.00 0.00 H new ATOM 0 HA ASP A 659 171.808 -3.039 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 659 171.055 -5.807 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 659 170.047 -4.924 -8.278 1.00 0.00 H new ATOM 993 N VAL A 660 168.558 -3.420 -6.553 1.00 0.00 N ATOM 994 CA VAL A 660 167.269 -2.749 -6.725 1.00 0.00 C ATOM 995 C VAL A 660 167.129 -1.518 -5.828 1.00 0.00 C ATOM 996 O VAL A 660 166.855 -0.421 -6.314 1.00 0.00 O ATOM 997 CB VAL A 660 166.074 -3.697 -6.471 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.683 -4.411 -7.755 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.387 -4.703 -5.372 1.00 0.00 C ATOM 0 H VAL A 660 168.505 -4.322 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 660 167.249 -2.429 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 660 165.231 -3.092 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.841 -5.075 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.399 -3.676 -8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.528 -4.995 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.526 -5.354 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 660 167.249 -5.304 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.610 -4.173 -4.446 1.00 0.00 H new ATOM 1009 N VAL A 661 167.301 -1.696 -4.519 1.00 0.00 N ATOM 1010 CA VAL A 661 167.173 -0.583 -3.582 1.00 0.00 C ATOM 1011 C VAL A 661 168.468 0.218 -3.475 1.00 0.00 C ATOM 1012 O VAL A 661 168.442 1.421 -3.210 1.00 0.00 O ATOM 1013 CB VAL A 661 166.746 -1.065 -2.180 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.796 -1.983 -1.575 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.477 0.121 -1.266 1.00 0.00 C ATOM 0 H VAL A 661 167.527 -2.592 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 661 166.394 0.067 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 661 165.823 -1.635 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.470 -2.308 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.932 -2.853 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.741 -1.447 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.177 -0.239 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.382 0.721 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.679 0.732 -1.688 1.00 0.00 H new ATOM 1025 N GLY A 662 169.599 -0.446 -3.686 1.00 0.00 N ATOM 1026 CA GLY A 662 170.880 0.235 -3.611 1.00 0.00 C ATOM 1027 C GLY A 662 171.310 0.790 -4.953 1.00 0.00 C ATOM 1028 O GLY A 662 171.643 1.970 -5.070 1.00 0.00 O ATOM 0 H GLY A 662 169.653 -1.440 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.816 1.047 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.638 -0.458 -3.246 1.00 0.00 H new ATOM 1032 N HIS A 663 171.290 -0.062 -5.971 1.00 0.00 N ATOM 1033 CA HIS A 663 171.665 0.338 -7.322 1.00 0.00 C ATOM 1034 C HIS A 663 173.139 0.729 -7.412 1.00 0.00 C ATOM 1035 O HIS A 663 173.470 1.895 -7.634 1.00 0.00 O ATOM 1036 CB HIS A 663 170.784 1.500 -7.792 1.00 0.00 C ATOM 1037 CG HIS A 663 170.338 1.376 -9.215 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.878 2.123 -10.241 1.00 0.00 N ATOM 1039 CD2 HIS A 663 169.400 0.582 -9.783 1.00 0.00 C ATOM 1040 CE1 HIS A 663 170.289 1.796 -11.378 1.00 0.00 C ATOM 1041 NE2 HIS A 663 169.389 0.864 -11.127 1.00 0.00 N ATOM 0 H HIS A 663 171.016 -1.041 -5.885 1.00 0.00 H new ATOM 0 HA HIS A 663 171.511 -0.522 -7.974 1.00 0.00 H new ATOM 0 HB2 HIS A 663 169.906 1.563 -7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.334 2.433 -7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 663 168.777 -0.139 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 663 170.507 2.219 -12.347 1.00 0.00 H new ATOM 0 HE2 HIS A 663 168.783 0.424 -11.820 1.00 0.00 H new ATOM 1050 N LEU A 664 174.024 -0.254 -7.265 1.00 0.00 N ATOM 1051 CA LEU A 664 175.457 -0.008 -7.361 1.00 0.00 C ATOM 1052 C LEU A 664 176.124 -1.141 -8.128 1.00 0.00 C ATOM 1053 O LEU A 664 175.474 -2.122 -8.488 1.00 0.00 O ATOM 1054 CB LEU A 664 176.101 0.160 -5.978 1.00 0.00 C ATOM 1055 CG LEU A 664 175.483 -0.662 -4.845 1.00 0.00 C ATOM 1056 CD1 LEU A 664 174.104 -0.134 -4.488 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.418 -2.130 -5.226 1.00 0.00 C ATOM 0 H LEU A 664 173.773 -1.225 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 664 175.603 0.928 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.156 -0.102 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 664 176.054 1.214 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 664 176.119 -0.566 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.683 -0.733 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.184 0.904 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.454 -0.194 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 664 174.976 -2.699 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.807 -2.247 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.424 -2.500 -5.423 1.00 0.00 H new ATOM 1069 N ARG A 665 177.415 -1.000 -8.391 1.00 0.00 N ATOM 1070 CA ARG A 665 178.147 -2.018 -9.133 1.00 0.00 C ATOM 1071 C ARG A 665 179.533 -2.244 -8.547 1.00 0.00 C ATOM 1072 O ARG A 665 180.052 -1.410 -7.806 1.00 0.00 O ATOM 1073 CB ARG A 665 178.263 -1.617 -10.605 1.00 0.00 C ATOM 1074 CG ARG A 665 176.981 -1.824 -11.395 1.00 0.00 C ATOM 1075 CD ARG A 665 177.102 -1.270 -12.806 1.00 0.00 C ATOM 1076 NE ARG A 665 175.794 -1.012 -13.406 1.00 0.00 N ATOM 1077 CZ ARG A 665 175.624 -0.411 -14.581 1.00 0.00 C ATOM 1078 NH1 ARG A 665 176.673 -0.005 -15.286 1.00 0.00 N ATOM 1079 NH2 ARG A 665 174.400 -0.215 -15.054 1.00 0.00 N ATOM 0 H ARG A 665 177.975 -0.197 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 665 177.590 -2.952 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.552 -0.568 -10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.063 -2.195 -11.068 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.747 -2.888 -11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 665 176.153 -1.336 -10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 665 177.680 -0.346 -12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 665 177.653 -1.976 -13.427 1.00 0.00 H new ATOM 0 HE ARG A 665 174.964 -1.310 -12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 665 177.616 -0.153 -14.928 1.00 0.00 H new ATOM 0 HH12 ARG A 665 176.536 0.455 -16.186 1.00 0.00 H new ATOM 0 HH21 ARG A 665 173.590 -0.525 -14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 665 174.269 0.246 -15.955 1.00 0.00 H new ATOM 1093 N ALA A 666 180.130 -3.380 -8.892 1.00 0.00 N ATOM 1094 CA ALA A 666 181.458 -3.723 -8.407 1.00 0.00 C ATOM 1095 C ALA A 666 182.464 -2.637 -8.765 1.00 0.00 C ATOM 1096 O ALA A 666 182.613 -2.273 -9.931 1.00 0.00 O ATOM 1097 CB ALA A 666 181.897 -5.063 -8.976 1.00 0.00 C ATOM 0 H ALA A 666 179.713 -4.079 -9.507 1.00 0.00 H new ATOM 0 HA ALA A 666 181.416 -3.801 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.892 -5.307 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.194 -5.837 -8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 666 181.919 -5.006 -10.064 1.00 0.00 H new ATOM 1103 N GLY A 667 183.144 -2.116 -7.752 1.00 0.00 N ATOM 1104 CA GLY A 667 184.120 -1.067 -7.975 1.00 0.00 C ATOM 1105 C GLY A 667 183.829 0.165 -7.143 1.00 0.00 C ATOM 1106 O GLY A 667 184.723 0.967 -6.871 1.00 0.00 O ATOM 0 H GLY A 667 183.037 -2.401 -6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.115 -1.441 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.128 -0.798 -9.031 1.00 0.00 H new ATOM 1110 N ASP A 668 182.573 0.313 -6.732 1.00 0.00 N ATOM 1111 CA ASP A 668 182.162 1.452 -5.920 1.00 0.00 C ATOM 1112 C ASP A 668 182.818 1.394 -4.545 1.00 0.00 C ATOM 1113 O ASP A 668 182.948 0.321 -3.954 1.00 0.00 O ATOM 1114 CB ASP A 668 180.640 1.480 -5.771 1.00 0.00 C ATOM 1115 CG ASP A 668 179.962 2.211 -6.913 1.00 0.00 C ATOM 1116 OD1 ASP A 668 179.856 1.628 -8.013 1.00 0.00 O ATOM 1117 OD2 ASP A 668 179.535 3.367 -6.708 1.00 0.00 O ATOM 0 H ASP A 668 181.822 -0.343 -6.949 1.00 0.00 H new ATOM 0 HA ASP A 668 182.484 2.364 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.263 0.458 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.378 1.961 -4.829 1.00 0.00 H new ATOM 1122 N GLU A 669 183.235 2.550 -4.042 1.00 0.00 N ATOM 1123 CA GLU A 669 183.882 2.622 -2.738 1.00 0.00 C ATOM 1124 C GLU A 669 182.902 3.079 -1.662 1.00 0.00 C ATOM 1125 O GLU A 669 182.416 4.209 -1.692 1.00 0.00 O ATOM 1126 CB GLU A 669 185.076 3.576 -2.792 1.00 0.00 C ATOM 1127 CG GLU A 669 185.969 3.504 -1.565 1.00 0.00 C ATOM 1128 CD GLU A 669 187.074 4.541 -1.587 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.779 5.717 -1.889 1.00 0.00 O ATOM 1130 OE2 GLU A 669 188.235 4.179 -1.301 1.00 0.00 O ATOM 0 H GLU A 669 183.137 3.448 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 669 184.232 1.622 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.671 3.351 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.710 4.596 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.363 3.644 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.410 2.509 -1.499 1.00 0.00 H new ATOM 1137 N VAL A 670 182.620 2.195 -0.708 1.00 0.00 N ATOM 1138 CA VAL A 670 181.705 2.515 0.380 1.00 0.00 C ATOM 1139 C VAL A 670 182.472 3.017 1.599 1.00 0.00 C ATOM 1140 O VAL A 670 183.105 2.237 2.312 1.00 0.00 O ATOM 1141 CB VAL A 670 180.849 1.293 0.782 1.00 0.00 C ATOM 1142 CG1 VAL A 670 180.063 1.568 2.059 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.908 0.906 -0.349 1.00 0.00 C ATOM 0 H VAL A 670 183.012 1.254 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 670 181.040 3.300 0.020 1.00 0.00 H new ATOM 0 HB VAL A 670 181.524 0.459 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.470 0.691 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.755 1.790 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.401 2.420 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.313 0.044 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.246 1.743 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.489 0.654 -1.236 1.00 0.00 H new ATOM 1153 N LEU A 671 182.409 4.322 1.834 1.00 0.00 N ATOM 1154 CA LEU A 671 183.097 4.925 2.970 1.00 0.00 C ATOM 1155 C LEU A 671 182.247 4.849 4.238 1.00 0.00 C ATOM 1156 O LEU A 671 182.668 5.301 5.302 1.00 0.00 O ATOM 1157 CB LEU A 671 183.448 6.386 2.669 1.00 0.00 C ATOM 1158 CG LEU A 671 184.154 6.637 1.332 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.160 5.536 1.030 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.138 6.755 0.206 1.00 0.00 C ATOM 0 H LEU A 671 181.890 4.982 1.255 1.00 0.00 H new ATOM 0 HA LEU A 671 184.015 4.362 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.530 6.973 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 671 184.084 6.760 3.471 1.00 0.00 H new ATOM 0 HG LEU A 671 184.698 7.579 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.646 5.739 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.910 5.502 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.645 4.577 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.657 6.933 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.565 5.831 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.463 7.586 0.411 1.00 0.00 H new ATOM 1172 N GLU A 672 181.048 4.282 4.121 1.00 0.00 N ATOM 1173 CA GLU A 672 180.151 4.165 5.265 1.00 0.00 C ATOM 1174 C GLU A 672 179.388 2.844 5.241 1.00 0.00 C ATOM 1175 O GLU A 672 178.756 2.500 4.245 1.00 0.00 O ATOM 1176 CB GLU A 672 179.160 5.327 5.271 1.00 0.00 C ATOM 1177 CG GLU A 672 179.777 6.648 5.696 1.00 0.00 C ATOM 1178 CD GLU A 672 179.044 7.290 6.857 1.00 0.00 C ATOM 1179 OE1 GLU A 672 178.083 8.048 6.607 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.430 7.036 8.017 1.00 0.00 O ATOM 0 H GLU A 672 180.678 3.899 3.251 1.00 0.00 H new ATOM 0 HA GLU A 672 180.758 4.193 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.736 5.438 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.336 5.087 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.818 6.485 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 672 179.777 7.333 4.848 1.00 0.00 H new ATOM 1187 N TRP A 673 179.446 2.115 6.350 1.00 0.00 N ATOM 1188 CA TRP A 673 178.753 0.837 6.468 1.00 0.00 C ATOM 1189 C TRP A 673 177.951 0.786 7.762 1.00 0.00 C ATOM 1190 O TRP A 673 178.473 1.082 8.836 1.00 0.00 O ATOM 1191 CB TRP A 673 179.755 -0.314 6.435 1.00 0.00 C ATOM 1192 CG TRP A 673 179.119 -1.650 6.209 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.474 -2.421 7.132 1.00 0.00 C ATOM 1194 CD2 TRP A 673 179.070 -2.372 4.976 1.00 0.00 C ATOM 1195 NE1 TRP A 673 178.033 -3.585 6.548 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.388 -3.578 5.224 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.539 -2.115 3.687 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.168 -4.525 4.224 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.318 -3.053 2.700 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.638 -4.246 2.972 1.00 0.00 C ATOM 0 H TRP A 673 179.968 2.388 7.183 1.00 0.00 H new ATOM 0 HA TRP A 673 178.070 0.737 5.625 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.484 -0.129 5.646 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.303 -0.336 7.377 1.00 0.00 H new ATOM 0 HD1 TRP A 673 178.331 -2.156 8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.525 -4.332 7.022 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.065 -1.198 3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.645 -5.446 4.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.676 -2.863 1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.482 -4.960 2.177 1.00 0.00 H new ATOM 1211 N ASN A 674 176.681 0.414 7.659 1.00 0.00 N ATOM 1212 CA ASN A 674 175.815 0.334 8.831 1.00 0.00 C ATOM 1213 C ASN A 674 175.798 1.662 9.581 1.00 0.00 C ATOM 1214 O ASN A 674 175.752 1.696 10.811 1.00 0.00 O ATOM 1215 CB ASN A 674 176.283 -0.787 9.762 1.00 0.00 C ATOM 1216 CG ASN A 674 175.330 -1.013 10.919 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.723 -0.953 12.084 1.00 0.00 O ATOM 1218 ND2 ASN A 674 174.066 -1.276 10.603 1.00 0.00 N ATOM 0 H ASN A 674 176.228 0.164 6.780 1.00 0.00 H new ATOM 0 HA ASN A 674 174.803 0.114 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.384 -1.711 9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.272 -0.543 10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.379 -1.437 11.340 1.00 0.00 H new ATOM 0 HD22 ASN A 674 173.783 -1.316 9.624 1.00 0.00 H new ATOM 1225 N GLY A 675 175.827 2.753 8.824 1.00 0.00 N ATOM 1226 CA GLY A 675 175.805 4.076 9.417 1.00 0.00 C ATOM 1227 C GLY A 675 177.010 4.363 10.297 1.00 0.00 C ATOM 1228 O GLY A 675 176.933 5.195 11.201 1.00 0.00 O ATOM 0 H GLY A 675 175.866 2.744 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 675 175.759 4.821 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 675 174.897 4.185 10.010 1.00 0.00 H new ATOM 1232 N LYS A 676 178.126 3.685 10.039 1.00 0.00 N ATOM 1233 CA LYS A 676 179.335 3.896 10.826 1.00 0.00 C ATOM 1234 C LYS A 676 180.462 4.428 9.956 1.00 0.00 C ATOM 1235 O LYS A 676 180.440 4.272 8.735 1.00 0.00 O ATOM 1236 CB LYS A 676 179.781 2.584 11.479 1.00 0.00 C ATOM 1237 CG LYS A 676 180.845 1.826 10.686 1.00 0.00 C ATOM 1238 CD LYS A 676 181.732 0.999 11.596 1.00 0.00 C ATOM 1239 CE LYS A 676 182.483 1.866 12.591 1.00 0.00 C ATOM 1240 NZ LYS A 676 183.593 1.122 13.248 1.00 0.00 N ATOM 0 H LYS A 676 178.217 2.991 9.297 1.00 0.00 H new ATOM 0 HA LYS A 676 179.106 4.630 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.169 2.799 12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 676 178.911 1.940 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 676 180.362 1.175 9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.456 2.534 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 676 181.124 0.272 12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.445 0.435 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 676 182.885 2.741 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 676 181.791 2.230 13.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 184.070 1.743 13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 183.209 0.292 13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 184.276 0.811 12.528 1.00 0.00 H new ATOM 1254 N PRO A 677 181.489 5.029 10.574 1.00 0.00 N ATOM 1255 CA PRO A 677 182.632 5.531 9.841 1.00 0.00 C ATOM 1256 C PRO A 677 183.693 4.449 9.666 1.00 0.00 C ATOM 1257 O PRO A 677 184.239 3.930 10.640 1.00 0.00 O ATOM 1258 CB PRO A 677 183.139 6.640 10.756 1.00 0.00 C ATOM 1259 CG PRO A 677 182.825 6.164 12.138 1.00 0.00 C ATOM 1260 CD PRO A 677 181.633 5.237 12.025 1.00 0.00 C ATOM 0 HA PRO A 677 182.389 5.865 8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.209 6.802 10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.645 7.588 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 677 183.679 5.643 12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 677 182.599 7.005 12.794 1.00 0.00 H new ATOM 0 HD2 PRO A 677 181.806 4.297 12.549 1.00 0.00 H new ATOM 0 HD3 PRO A 677 180.737 5.683 12.457 1.00 0.00 H new ATOM 1268 N LEU A 678 183.977 4.118 8.416 1.00 0.00 N ATOM 1269 CA LEU A 678 184.971 3.102 8.086 1.00 0.00 C ATOM 1270 C LEU A 678 186.362 3.703 7.837 1.00 0.00 C ATOM 1271 O LEU A 678 187.369 3.053 8.117 1.00 0.00 O ATOM 1272 CB LEU A 678 184.525 2.311 6.856 1.00 0.00 C ATOM 1273 CG LEU A 678 183.158 1.637 6.983 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.708 1.080 5.638 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.199 0.536 8.036 1.00 0.00 C ATOM 0 H LEU A 678 183.529 4.542 7.604 1.00 0.00 H new ATOM 0 HA LEU A 678 185.049 2.439 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.504 2.983 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.272 1.546 6.643 1.00 0.00 H new ATOM 0 HG LEU A 678 182.434 2.387 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.734 0.604 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.635 1.892 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.433 0.345 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.217 0.068 8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.937 -0.214 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.472 0.965 9.000 1.00 0.00 H new ATOM 1287 N PRO A 679 186.457 4.946 7.304 1.00 0.00 N ATOM 1288 CA PRO A 679 187.749 5.584 7.031 1.00 0.00 C ATOM 1289 C PRO A 679 188.761 5.360 8.149 1.00 0.00 C ATOM 1290 O PRO A 679 188.602 5.866 9.260 1.00 0.00 O ATOM 1291 CB PRO A 679 187.381 7.059 6.916 1.00 0.00 C ATOM 1292 CG PRO A 679 186.007 7.044 6.344 1.00 0.00 C ATOM 1293 CD PRO A 679 185.332 5.824 6.918 1.00 0.00 C ATOM 0 HA PRO A 679 188.232 5.178 6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.404 7.553 7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 679 188.076 7.595 6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.464 7.951 6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 679 186.038 6.997 5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.710 6.078 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.683 5.344 6.185 1.00 0.00 H new ATOM 1301 N GLY A 680 189.795 4.587 7.844 1.00 0.00 N ATOM 1302 CA GLY A 680 190.819 4.290 8.826 1.00 0.00 C ATOM 1303 C GLY A 680 190.781 2.842 9.281 1.00 0.00 C ATOM 1304 O GLY A 680 191.695 2.375 9.960 1.00 0.00 O ATOM 0 H GLY A 680 189.943 4.159 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.799 4.510 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.691 4.943 9.689 1.00 0.00 H new ATOM 1308 N ALA A 681 189.721 2.127 8.904 1.00 0.00 N ATOM 1309 CA ALA A 681 189.573 0.727 9.275 1.00 0.00 C ATOM 1310 C ALA A 681 190.036 -0.187 8.145 1.00 0.00 C ATOM 1311 O ALA A 681 189.676 0.013 6.984 1.00 0.00 O ATOM 1312 CB ALA A 681 188.126 0.433 9.642 1.00 0.00 C ATOM 0 H ALA A 681 188.955 2.498 8.342 1.00 0.00 H new ATOM 0 HA ALA A 681 190.202 0.532 10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.027 -0.617 9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.830 1.059 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.483 0.646 8.788 1.00 0.00 H new ATOM 1318 N THR A 682 190.836 -1.191 8.490 1.00 0.00 N ATOM 1319 CA THR A 682 191.348 -2.135 7.503 1.00 0.00 C ATOM 1320 C THR A 682 190.353 -3.269 7.267 1.00 0.00 C ATOM 1321 O THR A 682 189.273 -3.292 7.857 1.00 0.00 O ATOM 1322 CB THR A 682 192.695 -2.702 7.961 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.104 -3.773 7.131 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.677 -3.205 9.386 1.00 0.00 C ATOM 0 H THR A 682 191.144 -1.372 9.446 1.00 0.00 H new ATOM 0 HA THR A 682 191.489 -1.602 6.563 1.00 0.00 H new ATOM 0 HB THR A 682 193.394 -1.868 7.894 1.00 0.00 H new ATOM 0 HG1 THR A 682 192.709 -4.609 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.661 -3.593 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.420 -2.386 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 682 191.937 -3.999 9.482 1.00 0.00 H new ATOM 1332 N ASN A 683 190.724 -4.206 6.399 1.00 0.00 N ATOM 1333 CA ASN A 683 189.865 -5.342 6.080 1.00 0.00 C ATOM 1334 C ASN A 683 189.407 -6.062 7.346 1.00 0.00 C ATOM 1335 O ASN A 683 188.246 -6.452 7.462 1.00 0.00 O ATOM 1336 CB ASN A 683 190.600 -6.321 5.163 1.00 0.00 C ATOM 1337 CG ASN A 683 191.864 -6.869 5.796 1.00 0.00 C ATOM 1338 OD1 ASN A 683 192.453 -6.241 6.677 1.00 0.00 O ATOM 1339 ND2 ASN A 683 192.288 -8.045 5.349 1.00 0.00 N ATOM 0 H ASN A 683 191.615 -4.201 5.903 1.00 0.00 H new ATOM 0 HA ASN A 683 188.983 -4.960 5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 683 189.935 -7.147 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 683 190.853 -5.819 4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 683 193.133 -8.463 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 683 191.768 -8.530 4.618 1.00 0.00 H new ATOM 1346 N GLU A 684 190.325 -6.234 8.292 1.00 0.00 N ATOM 1347 CA GLU A 684 190.007 -6.908 9.546 1.00 0.00 C ATOM 1348 C GLU A 684 189.019 -6.090 10.365 1.00 0.00 C ATOM 1349 O GLU A 684 188.108 -6.639 10.988 1.00 0.00 O ATOM 1350 CB GLU A 684 191.284 -7.164 10.353 1.00 0.00 C ATOM 1351 CG GLU A 684 191.587 -8.640 10.556 1.00 0.00 C ATOM 1352 CD GLU A 684 193.054 -8.900 10.835 1.00 0.00 C ATOM 1353 OE1 GLU A 684 193.861 -8.832 9.885 1.00 0.00 O ATOM 1354 OE2 GLU A 684 193.396 -9.172 12.006 1.00 0.00 O ATOM 0 H GLU A 684 191.292 -5.917 8.215 1.00 0.00 H new ATOM 0 HA GLU A 684 189.544 -7.866 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 684 192.126 -6.695 9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.192 -6.683 11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 684 190.990 -9.019 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.286 -9.195 9.667 1.00 0.00 H new ATOM 1361 N GLU A 685 189.187 -4.774 10.348 1.00 0.00 N ATOM 1362 CA GLU A 685 188.287 -3.897 11.079 1.00 0.00 C ATOM 1363 C GLU A 685 186.882 -4.041 10.519 1.00 0.00 C ATOM 1364 O GLU A 685 185.963 -4.468 11.217 1.00 0.00 O ATOM 1365 CB GLU A 685 188.755 -2.444 10.979 1.00 0.00 C ATOM 1366 CG GLU A 685 188.959 -1.777 12.332 1.00 0.00 C ATOM 1367 CD GLU A 685 190.409 -1.417 12.594 1.00 0.00 C ATOM 1368 OE1 GLU A 685 191.064 -0.886 11.673 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.888 -1.666 13.719 1.00 0.00 O ATOM 0 H GLU A 685 189.931 -4.296 9.841 1.00 0.00 H new ATOM 0 HA GLU A 685 188.287 -4.180 12.132 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.691 -2.410 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 685 188.023 -1.873 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 685 188.350 -0.875 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 685 188.607 -2.444 13.118 1.00 0.00 H new ATOM 1376 N VAL A 686 186.730 -3.705 9.240 1.00 0.00 N ATOM 1377 CA VAL A 686 185.447 -3.813 8.563 1.00 0.00 C ATOM 1378 C VAL A 686 184.788 -5.158 8.857 1.00 0.00 C ATOM 1379 O VAL A 686 183.585 -5.229 9.109 1.00 0.00 O ATOM 1380 CB VAL A 686 185.610 -3.643 7.038 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.291 -3.877 6.320 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.163 -2.264 6.712 1.00 0.00 C ATOM 0 H VAL A 686 187.486 -3.354 8.652 1.00 0.00 H new ATOM 0 HA VAL A 686 184.810 -3.014 8.942 1.00 0.00 H new ATOM 0 HB VAL A 686 186.320 -4.391 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 686 184.434 -3.751 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 686 183.941 -4.889 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 686 183.551 -3.159 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.272 -2.161 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.478 -1.501 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.136 -2.140 7.188 1.00 0.00 H new ATOM 1392 N TYR A 687 185.586 -6.223 8.832 1.00 0.00 N ATOM 1393 CA TYR A 687 185.079 -7.566 9.107 1.00 0.00 C ATOM 1394 C TYR A 687 184.234 -7.566 10.375 1.00 0.00 C ATOM 1395 O TYR A 687 183.150 -8.146 10.414 1.00 0.00 O ATOM 1396 CB TYR A 687 186.233 -8.565 9.253 1.00 0.00 C ATOM 1397 CG TYR A 687 186.996 -8.842 7.971 1.00 0.00 C ATOM 1398 CD1 TYR A 687 186.495 -8.459 6.732 1.00 0.00 C ATOM 1399 CD2 TYR A 687 188.223 -9.495 8.007 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.195 -8.717 5.567 1.00 0.00 C ATOM 1401 CE2 TYR A 687 188.928 -9.756 6.848 1.00 0.00 C ATOM 1402 CZ TYR A 687 188.410 -9.366 5.631 1.00 0.00 C ATOM 1403 OH TYR A 687 189.108 -9.625 4.474 1.00 0.00 O ATOM 0 H TYR A 687 186.584 -6.183 8.625 1.00 0.00 H new ATOM 0 HA TYR A 687 184.458 -7.871 8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.930 -8.187 10.001 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.836 -9.506 9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 687 185.543 -7.951 6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 687 188.632 -9.804 8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 687 186.792 -8.412 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 687 189.880 -10.263 6.895 1.00 0.00 H new ATOM 0 HH TYR A 687 189.944 -10.087 4.693 1.00 0.00 H new ATOM 1413 N ASN A 688 184.739 -6.900 11.407 1.00 0.00 N ATOM 1414 CA ASN A 688 184.031 -6.810 12.679 1.00 0.00 C ATOM 1415 C ASN A 688 182.843 -5.859 12.571 1.00 0.00 C ATOM 1416 O ASN A 688 181.790 -6.094 13.165 1.00 0.00 O ATOM 1417 CB ASN A 688 184.981 -6.340 13.782 1.00 0.00 C ATOM 1418 CG ASN A 688 185.624 -7.495 14.522 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.500 -7.614 15.741 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.319 -8.356 13.787 1.00 0.00 N ATOM 0 H ASN A 688 185.636 -6.414 11.388 1.00 0.00 H new ATOM 0 HA ASN A 688 183.657 -7.802 12.932 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.759 -5.714 13.345 1.00 0.00 H new ATOM 0 HB3 ASN A 688 184.432 -5.719 14.490 1.00 0.00 H new ATOM 0 HD21 ASN A 688 186.775 -9.153 14.231 1.00 0.00 H new ATOM 0 HD22 ASN A 688 186.396 -8.220 12.779 1.00 0.00 H new ATOM 1427 N ILE A 689 183.019 -4.783 11.809 1.00 0.00 N ATOM 1428 CA ILE A 689 181.963 -3.796 11.620 1.00 0.00 C ATOM 1429 C ILE A 689 180.760 -4.409 10.905 1.00 0.00 C ATOM 1430 O ILE A 689 179.672 -4.507 11.469 1.00 0.00 O ATOM 1431 CB ILE A 689 182.476 -2.575 10.816 1.00 0.00 C ATOM 1432 CG1 ILE A 689 183.334 -1.673 11.708 1.00 0.00 C ATOM 1433 CG2 ILE A 689 181.316 -1.780 10.220 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.720 -2.207 11.969 1.00 0.00 C ATOM 0 H ILE A 689 183.885 -4.573 11.312 1.00 0.00 H new ATOM 0 HA ILE A 689 181.653 -3.461 12.610 1.00 0.00 H new ATOM 0 HB ILE A 689 183.089 -2.946 9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 689 183.416 -0.691 11.242 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.825 -1.532 12.661 1.00 0.00 H new ATOM 0 HG21 ILE A 689 181.707 -0.929 9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 689 180.742 -2.421 9.551 1.00 0.00 H new ATOM 0 HG23 ILE A 689 180.670 -1.422 11.022 1.00 0.00 H new ATOM 0 HD11 ILE A 689 185.264 -1.511 12.608 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.650 -3.175 12.465 1.00 0.00 H new ATOM 0 HD13 ILE A 689 185.250 -2.321 11.023 1.00 0.00 H new ATOM 1446 N ILE A 690 180.967 -4.813 9.654 1.00 0.00 N ATOM 1447 CA ILE A 690 179.905 -5.408 8.851 1.00 0.00 C ATOM 1448 C ILE A 690 179.218 -6.554 9.590 1.00 0.00 C ATOM 1449 O ILE A 690 177.994 -6.560 9.737 1.00 0.00 O ATOM 1450 CB ILE A 690 180.451 -5.910 7.498 1.00 0.00 C ATOM 1451 CG1 ILE A 690 181.076 -4.737 6.731 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.346 -6.574 6.682 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.299 -5.004 5.258 1.00 0.00 C ATOM 0 H ILE A 690 181.864 -4.738 9.174 1.00 0.00 H new ATOM 0 HA ILE A 690 179.166 -4.628 8.667 1.00 0.00 H new ATOM 0 HB ILE A 690 181.220 -6.661 7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.431 -3.864 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 690 182.031 -4.485 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 690 179.753 -6.920 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 690 178.945 -7.423 7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.550 -5.854 6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.743 -4.125 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 690 181.970 -5.855 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 690 180.345 -5.225 4.780 1.00 0.00 H new ATOM 1465 N LEU A 691 180.004 -7.519 10.058 1.00 0.00 N ATOM 1466 CA LEU A 691 179.457 -8.663 10.786 1.00 0.00 C ATOM 1467 C LEU A 691 178.495 -8.208 11.874 1.00 0.00 C ATOM 1468 O LEU A 691 177.386 -8.728 12.001 1.00 0.00 O ATOM 1469 CB LEU A 691 180.590 -9.485 11.400 1.00 0.00 C ATOM 1470 CG LEU A 691 181.114 -10.634 10.534 1.00 0.00 C ATOM 1471 CD1 LEU A 691 180.934 -10.330 9.052 1.00 0.00 C ATOM 1472 CD2 LEU A 691 182.576 -10.909 10.849 1.00 0.00 C ATOM 0 H LEU A 691 181.018 -7.533 9.948 1.00 0.00 H new ATOM 0 HA LEU A 691 178.905 -9.284 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.420 -8.816 11.626 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.245 -9.896 12.349 1.00 0.00 H new ATOM 0 HG LEU A 691 180.533 -11.526 10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 691 181.315 -11.163 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 691 179.875 -10.186 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 691 181.483 -9.423 8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 691 182.935 -11.728 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.166 -10.015 10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 691 182.677 -11.181 11.900 1.00 0.00 H new ATOM 1484 N GLU A 692 178.927 -7.230 12.653 1.00 0.00 N ATOM 1485 CA GLU A 692 178.106 -6.690 13.731 1.00 0.00 C ATOM 1486 C GLU A 692 176.799 -6.123 13.184 1.00 0.00 C ATOM 1487 O GLU A 692 175.799 -6.045 13.896 1.00 0.00 O ATOM 1488 CB GLU A 692 178.871 -5.602 14.487 1.00 0.00 C ATOM 1489 CG GLU A 692 179.797 -6.144 15.563 1.00 0.00 C ATOM 1490 CD GLU A 692 179.731 -5.340 16.848 1.00 0.00 C ATOM 1491 OE1 GLU A 692 179.959 -4.114 16.792 1.00 0.00 O ATOM 1492 OE2 GLU A 692 179.452 -5.938 17.908 1.00 0.00 O ATOM 0 H GLU A 692 179.843 -6.791 12.561 1.00 0.00 H new ATOM 0 HA GLU A 692 177.871 -7.502 14.419 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.457 -5.020 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 692 178.156 -4.919 14.945 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.536 -7.181 15.774 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.821 -6.143 15.190 1.00 0.00 H new ATOM 1499 N SER A 693 176.819 -5.727 11.913 1.00 0.00 N ATOM 1500 CA SER A 693 175.638 -5.165 11.267 1.00 0.00 C ATOM 1501 C SER A 693 174.813 -6.247 10.568 1.00 0.00 C ATOM 1502 O SER A 693 173.682 -5.999 10.150 1.00 0.00 O ATOM 1503 CB SER A 693 176.047 -4.091 10.258 1.00 0.00 C ATOM 1504 OG SER A 693 176.407 -4.666 9.015 1.00 0.00 O ATOM 0 H SER A 693 177.641 -5.785 11.311 1.00 0.00 H new ATOM 0 HA SER A 693 175.019 -4.715 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 693 175.223 -3.392 10.113 1.00 0.00 H new ATOM 0 HB3 SER A 693 176.886 -3.518 10.653 1.00 0.00 H new ATOM 0 HG SER A 693 177.171 -5.267 9.142 1.00 0.00 H new ATOM 1510 N LYS A 694 175.377 -7.448 10.446 1.00 0.00 N ATOM 1511 CA LYS A 694 174.676 -8.553 9.801 1.00 0.00 C ATOM 1512 C LYS A 694 173.452 -8.965 10.613 1.00 0.00 C ATOM 1513 O LYS A 694 172.479 -9.483 10.066 1.00 0.00 O ATOM 1514 CB LYS A 694 175.612 -9.750 9.621 1.00 0.00 C ATOM 1515 CG LYS A 694 176.498 -9.650 8.390 1.00 0.00 C ATOM 1516 CD LYS A 694 176.608 -10.986 7.671 1.00 0.00 C ATOM 1517 CE LYS A 694 177.581 -11.918 8.376 1.00 0.00 C ATOM 1518 NZ LYS A 694 177.091 -13.325 8.388 1.00 0.00 N ATOM 0 H LYS A 694 176.312 -7.678 10.784 1.00 0.00 H new ATOM 0 HA LYS A 694 174.344 -8.215 8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 694 176.242 -9.844 10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 694 175.016 -10.660 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 694 176.093 -8.902 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 694 177.492 -9.310 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 694 175.625 -11.455 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 694 176.937 -10.822 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 694 178.550 -11.875 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 694 177.733 -11.577 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 177.782 -13.929 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 176.178 -13.371 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 176.970 -13.659 7.410 1.00 0.00 H new ATOM 1532 N SER A 695 173.509 -8.732 11.921 1.00 0.00 N ATOM 1533 CA SER A 695 172.405 -9.079 12.808 1.00 0.00 C ATOM 1534 C SER A 695 171.243 -8.103 12.645 1.00 0.00 C ATOM 1535 O SER A 695 170.099 -8.429 12.963 1.00 0.00 O ATOM 1536 CB SER A 695 172.878 -9.087 14.263 1.00 0.00 C ATOM 1537 OG SER A 695 174.168 -9.661 14.379 1.00 0.00 O ATOM 0 H SER A 695 174.308 -8.304 12.389 1.00 0.00 H new ATOM 0 HA SER A 695 172.056 -10.076 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 695 172.895 -8.068 14.648 1.00 0.00 H new ATOM 0 HB3 SER A 695 172.171 -9.648 14.875 1.00 0.00 H new ATOM 0 HG SER A 695 174.447 -9.652 15.318 1.00 0.00 H new ATOM 1543 N GLU A 696 171.540 -6.905 12.147 1.00 0.00 N ATOM 1544 CA GLU A 696 170.515 -5.888 11.945 1.00 0.00 C ATOM 1545 C GLU A 696 169.769 -6.125 10.633 1.00 0.00 C ATOM 1546 O GLU A 696 170.378 -6.454 9.615 1.00 0.00 O ATOM 1547 CB GLU A 696 171.142 -4.493 11.943 1.00 0.00 C ATOM 1548 CG GLU A 696 171.579 -4.022 13.321 1.00 0.00 C ATOM 1549 CD GLU A 696 170.465 -3.330 14.080 1.00 0.00 C ATOM 1550 OE1 GLU A 696 169.611 -2.690 13.430 1.00 0.00 O ATOM 1551 OE2 GLU A 696 170.444 -3.428 15.325 1.00 0.00 O ATOM 0 H GLU A 696 172.480 -6.617 11.877 1.00 0.00 H new ATOM 0 HA GLU A 696 169.803 -5.956 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.005 -4.492 11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.424 -3.781 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 696 171.931 -4.877 13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 696 172.422 -3.339 13.217 1.00 0.00 H new ATOM 1558 N PRO A 697 168.434 -5.958 10.637 1.00 0.00 N ATOM 1559 CA PRO A 697 167.612 -6.157 9.441 1.00 0.00 C ATOM 1560 C PRO A 697 167.706 -4.991 8.460 1.00 0.00 C ATOM 1561 O PRO A 697 167.115 -5.029 7.381 1.00 0.00 O ATOM 1562 CB PRO A 697 166.198 -6.262 10.008 1.00 0.00 C ATOM 1563 CG PRO A 697 166.229 -5.430 11.243 1.00 0.00 C ATOM 1564 CD PRO A 697 167.621 -5.566 11.806 1.00 0.00 C ATOM 0 HA PRO A 697 167.930 -7.029 8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.457 -5.892 9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.936 -7.296 10.232 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.001 -4.389 11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 697 165.483 -5.771 11.961 1.00 0.00 H new ATOM 0 HD2 PRO A 697 167.970 -4.630 12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 697 167.663 -6.318 12.593 1.00 0.00 H new ATOM 1572 N GLN A 698 168.448 -3.953 8.837 1.00 0.00 N ATOM 1573 CA GLN A 698 168.608 -2.781 7.983 1.00 0.00 C ATOM 1574 C GLN A 698 170.041 -2.258 8.029 1.00 0.00 C ATOM 1575 O GLN A 698 170.707 -2.331 9.061 1.00 0.00 O ATOM 1576 CB GLN A 698 167.637 -1.679 8.410 1.00 0.00 C ATOM 1577 CG GLN A 698 167.641 -0.469 7.488 1.00 0.00 C ATOM 1578 CD GLN A 698 167.866 0.832 8.232 1.00 0.00 C ATOM 1579 OE1 GLN A 698 167.138 1.158 9.171 1.00 0.00 O ATOM 1580 NE2 GLN A 698 168.878 1.585 7.817 1.00 0.00 N ATOM 0 H GLN A 698 168.946 -3.900 9.725 1.00 0.00 H new ATOM 0 HA GLN A 698 168.385 -3.079 6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.629 -2.091 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.889 -1.356 9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.421 -0.593 6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 698 166.691 -0.419 6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 698 169.456 1.277 7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 698 169.077 2.472 8.280 1.00 0.00 H new ATOM 1589 N VAL A 699 170.506 -1.730 6.901 1.00 0.00 N ATOM 1590 CA VAL A 699 171.858 -1.193 6.806 1.00 0.00 C ATOM 1591 C VAL A 699 171.889 0.066 5.946 1.00 0.00 C ATOM 1592 O VAL A 699 171.124 0.201 4.991 1.00 0.00 O ATOM 1593 CB VAL A 699 172.838 -2.231 6.217 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.206 -1.608 5.962 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.957 -3.434 7.140 1.00 0.00 C ATOM 0 H VAL A 699 169.965 -1.663 6.039 1.00 0.00 H new ATOM 0 HA VAL A 699 172.172 -0.945 7.820 1.00 0.00 H new ATOM 0 HB VAL A 699 172.441 -2.569 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.877 -2.360 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 699 174.105 -0.784 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.616 -1.234 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.651 -4.156 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.326 -3.111 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.978 -3.899 7.260 1.00 0.00 H new ATOM 1605 N GLU A 700 172.790 0.979 6.289 1.00 0.00 N ATOM 1606 CA GLU A 700 172.942 2.224 5.550 1.00 0.00 C ATOM 1607 C GLU A 700 174.379 2.372 5.063 1.00 0.00 C ATOM 1608 O GLU A 700 175.286 2.636 5.851 1.00 0.00 O ATOM 1609 CB GLU A 700 172.560 3.418 6.430 1.00 0.00 C ATOM 1610 CG GLU A 700 172.760 4.765 5.755 1.00 0.00 C ATOM 1611 CD GLU A 700 172.165 5.910 6.551 1.00 0.00 C ATOM 1612 OE1 GLU A 700 172.583 6.106 7.712 1.00 0.00 O ATOM 1613 OE2 GLU A 700 171.282 6.610 6.013 1.00 0.00 O ATOM 0 H GLU A 700 173.428 0.878 7.078 1.00 0.00 H new ATOM 0 HA GLU A 700 172.276 2.200 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.515 3.321 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.153 3.388 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.826 4.941 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 700 172.306 4.742 4.764 1.00 0.00 H new ATOM 1620 N ILE A 701 174.583 2.192 3.762 1.00 0.00 N ATOM 1621 CA ILE A 701 175.916 2.301 3.184 1.00 0.00 C ATOM 1622 C ILE A 701 176.018 3.490 2.243 1.00 0.00 C ATOM 1623 O ILE A 701 175.113 3.752 1.450 1.00 0.00 O ATOM 1624 CB ILE A 701 176.325 1.023 2.422 1.00 0.00 C ATOM 1625 CG1 ILE A 701 175.108 0.371 1.756 1.00 0.00 C ATOM 1626 CG2 ILE A 701 177.014 0.050 3.367 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.415 -0.953 1.087 1.00 0.00 C ATOM 0 H ILE A 701 173.846 1.971 3.092 1.00 0.00 H new ATOM 0 HA ILE A 701 176.598 2.442 4.022 1.00 0.00 H new ATOM 0 HB ILE A 701 177.027 1.297 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.333 0.217 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.701 1.057 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.299 -0.849 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.905 0.518 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.332 -0.218 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.506 -1.353 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.167 -0.803 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.794 -1.656 1.829 1.00 0.00 H new ATOM 1639 N ILE A 702 177.131 4.204 2.338 1.00 0.00 N ATOM 1640 CA ILE A 702 177.370 5.369 1.498 1.00 0.00 C ATOM 1641 C ILE A 702 178.597 5.156 0.623 1.00 0.00 C ATOM 1642 O ILE A 702 179.557 4.511 1.037 1.00 0.00 O ATOM 1643 CB ILE A 702 177.561 6.644 2.344 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.576 6.664 3.518 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.391 7.886 1.482 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.129 6.485 3.106 1.00 0.00 C ATOM 0 H ILE A 702 177.886 3.995 2.992 1.00 0.00 H new ATOM 0 HA ILE A 702 176.491 5.499 0.866 1.00 0.00 H new ATOM 0 HB ILE A 702 178.574 6.641 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.845 5.874 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.678 7.610 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.529 8.776 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.131 7.878 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.390 7.895 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.493 6.510 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.841 7.289 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 702 175.010 5.526 2.601 1.00 0.00 H new ATOM 1658 N VAL A 703 178.559 5.696 -0.589 1.00 0.00 N ATOM 1659 CA VAL A 703 179.673 5.551 -1.516 1.00 0.00 C ATOM 1660 C VAL A 703 180.112 6.896 -2.079 1.00 0.00 C ATOM 1661 O VAL A 703 179.529 7.934 -1.767 1.00 0.00 O ATOM 1662 CB VAL A 703 179.310 4.616 -2.683 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.268 3.172 -2.215 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.981 5.023 -3.301 1.00 0.00 C ATOM 0 H VAL A 703 177.773 6.236 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 703 180.496 5.118 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 703 180.081 4.704 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 703 179.010 2.525 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.245 2.887 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.519 3.065 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.741 4.350 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.196 4.967 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 703 178.051 6.044 -3.676 1.00 0.00 H new ATOM 1674 N SER A 704 181.147 6.865 -2.912 1.00 0.00 N ATOM 1675 CA SER A 704 181.673 8.078 -3.525 1.00 0.00 C ATOM 1676 C SER A 704 182.316 7.767 -4.872 1.00 0.00 C ATOM 1677 O SER A 704 183.352 7.105 -4.940 1.00 0.00 O ATOM 1678 CB SER A 704 182.695 8.740 -2.599 1.00 0.00 C ATOM 1679 OG SER A 704 183.171 9.956 -3.151 1.00 0.00 O ATOM 0 H SER A 704 181.638 6.012 -3.178 1.00 0.00 H new ATOM 0 HA SER A 704 180.843 8.765 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 704 182.240 8.932 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 704 183.531 8.061 -2.431 1.00 0.00 H new ATOM 0 HG SER A 704 183.822 10.360 -2.540 1.00 0.00 H new ATOM 1741 N GLY B 945 186.371 -9.730 0.341 1.00 0.00 N ATOM 1742 CA GLY B 945 186.420 -9.266 1.714 1.00 0.00 C ATOM 1743 C GLY B 945 185.323 -9.864 2.570 1.00 0.00 C ATOM 1744 O GLY B 945 185.585 -10.714 3.422 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.389 -9.517 2.144 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.336 -8.179 1.730 1.00 0.00 H new ATOM 1748 N ILE B 946 184.089 -9.419 2.349 1.00 0.00 N ATOM 1749 CA ILE B 946 182.951 -9.918 3.113 1.00 0.00 C ATOM 1750 C ILE B 946 181.728 -10.101 2.233 1.00 0.00 C ATOM 1751 O ILE B 946 181.607 -9.483 1.175 1.00 0.00 O ATOM 1752 CB ILE B 946 182.564 -8.980 4.275 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.772 -8.188 4.768 1.00 0.00 C ATOM 1754 CG2 ILE B 946 181.955 -9.781 5.418 1.00 0.00 C ATOM 1755 CD1 ILE B 946 183.387 -7.070 5.702 1.00 0.00 C ATOM 0 H ILE B 946 183.853 -8.716 1.649 1.00 0.00 H new ATOM 0 HA ILE B 946 183.271 -10.878 3.518 1.00 0.00 H new ATOM 0 HB ILE B 946 181.823 -8.271 3.906 1.00 0.00 H new ATOM 0 HG12 ILE B 946 184.461 -8.862 5.278 1.00 0.00 H new ATOM 0 HG13 ILE B 946 184.305 -7.775 3.912 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.686 -9.107 6.232 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.063 -10.298 5.065 1.00 0.00 H new ATOM 0 HG23 ILE B 946 182.680 -10.512 5.777 1.00 0.00 H new ATOM 0 HD11 ILE B 946 184.283 -6.539 6.023 1.00 0.00 H new ATOM 0 HD12 ILE B 946 182.720 -6.379 5.187 1.00 0.00 H new ATOM 0 HD13 ILE B 946 182.878 -7.483 6.573 1.00 0.00 H new ATOM 1767 N TRP B 947 180.814 -10.941 2.692 1.00 0.00 N ATOM 1768 CA TRP B 947 179.580 -11.198 1.965 1.00 0.00 C ATOM 1769 C TRP B 947 178.492 -10.250 2.444 1.00 0.00 C ATOM 1770 O TRP B 947 178.184 -10.194 3.635 1.00 0.00 O ATOM 1771 CB TRP B 947 179.140 -12.653 2.135 1.00 0.00 C ATOM 1772 CG TRP B 947 179.353 -13.477 0.898 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.922 -14.715 0.825 1.00 0.00 C ATOM 1774 CD2 TRP B 947 179.002 -13.117 -0.445 1.00 0.00 C ATOM 1775 NE1 TRP B 947 179.948 -15.147 -0.479 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.388 -14.184 -1.278 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.398 -11.997 -1.025 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.190 -14.162 -2.658 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.202 -11.977 -2.393 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.597 -13.053 -3.196 1.00 0.00 C ATOM 0 H TRP B 947 180.903 -11.458 3.567 1.00 0.00 H new ATOM 0 HA TRP B 947 179.758 -11.025 0.904 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.692 -13.100 2.962 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.084 -12.679 2.405 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.297 -15.274 1.669 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.323 -16.039 -0.800 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.090 -11.161 -0.414 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.494 -14.991 -3.280 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.736 -11.116 -2.850 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.430 -13.007 -4.262 1.00 0.00 H new ATOM 1791 N ALA B 948 177.922 -9.498 1.512 1.00 0.00 N ATOM 1792 CA ALA B 948 176.875 -8.545 1.839 1.00 0.00 C ATOM 1793 C ALA B 948 175.918 -8.366 0.666 1.00 0.00 C ATOM 1794 O ALA B 948 175.359 -9.377 0.197 1.00 0.00 O ATOM 1795 CB ALA B 948 177.492 -7.211 2.231 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.738 -7.215 0.220 1.00 0.00 O ATOM 0 H ALA B 948 178.169 -9.531 0.523 1.00 0.00 H new ATOM 0 HA ALA B 948 176.304 -8.933 2.683 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.701 -6.502 2.475 1.00 0.00 H new ATOM 0 HB2 ALA B 948 178.136 -7.349 3.100 1.00 0.00 H new ATOM 0 HB3 ALA B 948 178.082 -6.825 1.400 1.00 0.00 H new