USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 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 Single : A 617 ASN : amide:sc= -3.84 K(o=-3.8,f=-6.6!) USER MOD Single : A 618 LYS NZ :NH3+ -161:sc= -0.265 (180deg=-1.64!) USER MOD Single : A 633 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.13) USER MOD Single : A 638 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0379) USER MOD Single : A 650 THR OG1 : rot 110:sc= -1.93 USER MOD Single : A 651 LYS NZ :NH3+ 159:sc=-0.00273 (180deg=-0.259) USER MOD Single : A 653 LYS NZ :NH3+ -178:sc=0.000655 (180deg=0.000602) USER MOD Single : A 654 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0154) USER MOD Single : A 656 SER OG : rot -150:sc= -1.06 USER MOD Single : A 663 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.026) USER MOD Single : A 674 ASN : amide:sc= -1.39 K(o=-1.4,f=0.68) USER MOD Single : A 676 LYS NZ :NH3+ -131:sc= -0.756 (180deg=-2.12!) USER MOD Single : A 682 THR OG1 : rot 180:sc= -0.0863! USER MOD Single : A 683 ASN : amide:sc= -3.46 X(o=-3.5,f=-3.4!) USER MOD Single : A 687 TYR OH : rot -122:sc= -0.147 USER MOD Single : A 688 ASN : amide:sc= 0.0264 X(o=0.026,f=-0.025) USER MOD Single : A 693 SER OG : rot 82:sc= 0.185 USER MOD Single : A 694 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0664) USER MOD Single : A 695 SER OG : rot -28:sc= 0.145 USER MOD Single : A 698 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.37) USER MOD Single : A 704 SER OG : rot 13:sc= -0.223! USER MOD ----------------------------------------------------------------- ATOM 247 N GLY A 612 176.143 9.534 -2.423 1.00 0.00 N ATOM 248 CA GLY A 612 174.786 9.042 -2.266 1.00 0.00 C ATOM 249 C GLY A 612 174.619 8.184 -1.028 1.00 0.00 C ATOM 250 O GLY A 612 175.599 7.696 -0.466 1.00 0.00 O ATOM 0 HA2 GLY A 612 174.100 9.888 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 612 174.509 8.462 -3.146 1.00 0.00 H new ATOM 254 N ARG A 613 173.372 7.990 -0.608 1.00 0.00 N ATOM 255 CA ARG A 613 173.079 7.175 0.567 1.00 0.00 C ATOM 256 C ARG A 613 172.229 5.972 0.176 1.00 0.00 C ATOM 257 O ARG A 613 171.176 6.125 -0.441 1.00 0.00 O ATOM 258 CB ARG A 613 172.352 8.005 1.627 1.00 0.00 C ATOM 259 CG ARG A 613 173.119 9.244 2.062 1.00 0.00 C ATOM 260 CD ARG A 613 172.195 10.435 2.253 1.00 0.00 C ATOM 261 NE ARG A 613 172.933 11.661 2.548 1.00 0.00 N ATOM 262 CZ ARG A 613 173.429 11.958 3.747 1.00 0.00 C ATOM 263 NH1 ARG A 613 173.269 11.122 4.764 1.00 0.00 N ATOM 264 NH2 ARG A 613 174.087 13.095 3.928 1.00 0.00 N ATOM 0 H ARG A 613 172.549 8.385 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 613 174.022 6.822 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 613 171.381 8.308 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 613 172.163 7.380 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 613 173.646 9.038 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 613 173.875 9.485 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 613 171.599 10.579 1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 613 171.499 10.227 3.066 1.00 0.00 H new ATOM 0 HE ARG A 613 173.077 12.329 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 613 172.764 10.246 4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 613 173.651 11.355 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 613 174.213 13.741 3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 613 174.467 13.323 4.846 1.00 0.00 H new ATOM 278 N VAL A 614 172.694 4.772 0.519 1.00 0.00 N ATOM 279 CA VAL A 614 171.966 3.560 0.176 1.00 0.00 C ATOM 280 C VAL A 614 171.523 2.793 1.414 1.00 0.00 C ATOM 281 O VAL A 614 172.318 2.526 2.315 1.00 0.00 O ATOM 282 CB VAL A 614 172.819 2.631 -0.710 1.00 0.00 C ATOM 283 CG1 VAL A 614 171.995 1.447 -1.194 1.00 0.00 C ATOM 284 CG2 VAL A 614 173.406 3.400 -1.885 1.00 0.00 C ATOM 0 H VAL A 614 173.564 4.617 1.029 1.00 0.00 H new ATOM 0 HA VAL A 614 171.080 3.878 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 614 173.644 2.247 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 614 172.615 0.803 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 614 171.632 0.881 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 614 171.147 1.808 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 614 174.005 2.726 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 614 172.599 3.817 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 614 174.036 4.208 -1.513 1.00 0.00 H new ATOM 294 N ILE A 615 170.247 2.424 1.437 1.00 0.00 N ATOM 295 CA ILE A 615 169.685 1.666 2.546 1.00 0.00 C ATOM 296 C ILE A 615 169.331 0.260 2.082 1.00 0.00 C ATOM 297 O ILE A 615 168.530 0.086 1.164 1.00 0.00 O ATOM 298 CB ILE A 615 168.424 2.339 3.128 1.00 0.00 C ATOM 299 CG1 ILE A 615 168.518 3.864 3.008 1.00 0.00 C ATOM 300 CG2 ILE A 615 168.232 1.930 4.580 1.00 0.00 C ATOM 301 CD1 ILE A 615 169.738 4.450 3.685 1.00 0.00 C ATOM 0 H ILE A 615 169.580 2.639 0.696 1.00 0.00 H new ATOM 0 HA ILE A 615 170.441 1.628 3.331 1.00 0.00 H new ATOM 0 HB ILE A 615 167.559 2.006 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 615 168.532 4.137 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 615 167.623 4.310 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 615 167.339 2.412 4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 615 168.118 0.848 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 615 169.101 2.237 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 615 169.739 5.533 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 615 169.716 4.208 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 615 170.639 4.032 3.236 1.00 0.00 H new ATOM 313 N LEU A 616 169.941 -0.742 2.703 1.00 0.00 N ATOM 314 CA LEU A 616 169.692 -2.128 2.326 1.00 0.00 C ATOM 315 C LEU A 616 169.109 -2.929 3.483 1.00 0.00 C ATOM 316 O LEU A 616 169.365 -2.638 4.648 1.00 0.00 O ATOM 317 CB LEU A 616 170.989 -2.778 1.836 1.00 0.00 C ATOM 318 CG LEU A 616 171.132 -2.846 0.317 1.00 0.00 C ATOM 319 CD1 LEU A 616 172.488 -3.413 -0.076 1.00 0.00 C ATOM 320 CD2 LEU A 616 170.014 -3.681 -0.279 1.00 0.00 C ATOM 0 H LEU A 616 170.608 -0.622 3.465 1.00 0.00 H new ATOM 0 HA LEU A 616 168.959 -2.128 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 616 171.834 -2.223 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 616 171.048 -3.789 2.239 1.00 0.00 H new ATOM 0 HG LEU A 616 171.062 -1.833 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 616 172.565 -3.451 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 616 173.278 -2.776 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 616 172.594 -4.419 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 616 170.128 -3.721 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 616 170.057 -4.691 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 616 169.052 -3.231 -0.032 1.00 0.00 H new ATOM 332 N ASN A 617 168.323 -3.947 3.146 1.00 0.00 N ATOM 333 CA ASN A 617 167.702 -4.804 4.146 1.00 0.00 C ATOM 334 C ASN A 617 167.917 -6.272 3.796 1.00 0.00 C ATOM 335 O ASN A 617 167.404 -6.759 2.789 1.00 0.00 O ATOM 336 CB ASN A 617 166.205 -4.506 4.248 1.00 0.00 C ATOM 337 CG ASN A 617 165.908 -3.344 5.175 1.00 0.00 C ATOM 338 OD1 ASN A 617 166.099 -3.437 6.387 1.00 0.00 O ATOM 339 ND2 ASN A 617 165.436 -2.240 4.607 1.00 0.00 N ATOM 0 H ASN A 617 168.101 -4.198 2.183 1.00 0.00 H new ATOM 0 HA ASN A 617 168.168 -4.600 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 617 165.813 -4.284 3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 617 165.684 -5.394 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 617 165.217 -1.425 5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 617 165.293 -2.207 3.598 1.00 0.00 H new ATOM 346 N LYS A 618 168.682 -6.972 4.626 1.00 0.00 N ATOM 347 CA LYS A 618 168.966 -8.383 4.392 1.00 0.00 C ATOM 348 C LYS A 618 168.093 -9.275 5.269 1.00 0.00 C ATOM 349 O LYS A 618 167.683 -10.359 4.856 1.00 0.00 O ATOM 350 CB LYS A 618 170.444 -8.681 4.655 1.00 0.00 C ATOM 351 CG LYS A 618 170.977 -8.054 5.933 1.00 0.00 C ATOM 352 CD LYS A 618 171.833 -9.033 6.723 1.00 0.00 C ATOM 353 CE LYS A 618 173.043 -9.490 5.921 1.00 0.00 C ATOM 354 NZ LYS A 618 173.546 -10.813 6.380 1.00 0.00 N ATOM 0 H LYS A 618 169.116 -6.587 5.465 1.00 0.00 H new ATOM 0 HA LYS A 618 168.738 -8.599 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 618 170.584 -9.761 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 618 171.033 -8.322 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 618 171.566 -7.171 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 618 170.143 -7.719 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 618 172.165 -8.563 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 618 171.233 -9.899 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 618 172.778 -9.549 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 618 173.838 -8.749 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 618 174.525 -10.944 6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 618 173.519 -10.853 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 618 172.946 -11.567 5.988 1.00 0.00 H new ATOM 516 N LEU A 629 172.922 -12.448 1.169 1.00 0.00 N ATOM 517 CA LEU A 629 172.845 -11.509 2.285 1.00 0.00 C ATOM 518 C LEU A 629 171.901 -10.353 1.956 1.00 0.00 C ATOM 519 O LEU A 629 170.758 -10.327 2.412 1.00 0.00 O ATOM 520 CB LEU A 629 174.233 -10.965 2.652 1.00 0.00 C ATOM 521 CG LEU A 629 175.416 -11.921 2.444 1.00 0.00 C ATOM 522 CD1 LEU A 629 175.182 -13.253 3.136 1.00 0.00 C ATOM 523 CD2 LEU A 629 175.706 -12.125 0.963 1.00 0.00 C ATOM 0 HA LEU A 629 172.451 -12.052 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 629 174.414 -10.065 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 629 174.216 -10.664 3.700 1.00 0.00 H new ATOM 0 HG LEU A 629 176.292 -11.458 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 629 176.039 -13.906 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 629 175.054 -13.090 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 629 174.285 -13.721 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 629 176.549 -12.807 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 629 174.828 -12.548 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 629 175.949 -11.167 0.505 1.00 0.00 H new ATOM 535 N LEU A 630 172.381 -9.405 1.157 1.00 0.00 N ATOM 536 CA LEU A 630 171.570 -8.257 0.762 1.00 0.00 C ATOM 537 C LEU A 630 171.630 -8.040 -0.751 1.00 0.00 C ATOM 538 O LEU A 630 170.595 -7.831 -1.384 1.00 0.00 O ATOM 539 CB LEU A 630 171.997 -6.983 1.504 1.00 0.00 C ATOM 540 CG LEU A 630 173.450 -6.949 1.963 1.00 0.00 C ATOM 541 CD1 LEU A 630 174.025 -5.546 1.841 1.00 0.00 C ATOM 542 CD2 LEU A 630 173.573 -7.455 3.390 1.00 0.00 C ATOM 0 H LEU A 630 173.325 -9.408 0.771 1.00 0.00 H new ATOM 0 HA LEU A 630 170.539 -8.476 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 630 171.819 -6.127 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 630 171.355 -6.859 2.376 1.00 0.00 H new ATOM 0 HG LEU A 630 174.025 -7.609 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 630 175.063 -5.548 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 630 173.979 -5.223 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 630 173.446 -4.860 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 630 174.618 -7.423 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 630 172.979 -6.825 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 630 173.210 -8.481 3.445 1.00 0.00 H new ATOM 554 N GLY A 631 172.831 -8.107 -1.345 1.00 0.00 N ATOM 555 CA GLY A 631 172.920 -7.929 -2.787 1.00 0.00 C ATOM 556 C GLY A 631 174.312 -7.640 -3.344 1.00 0.00 C ATOM 557 O GLY A 631 174.448 -7.456 -4.554 1.00 0.00 O ATOM 0 H GLY A 631 173.716 -8.276 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 631 172.538 -8.830 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 631 172.259 -7.111 -3.073 1.00 0.00 H new ATOM 561 N LEU A 632 175.350 -7.595 -2.508 1.00 0.00 N ATOM 562 CA LEU A 632 176.694 -7.320 -3.029 1.00 0.00 C ATOM 563 C LEU A 632 177.802 -7.755 -2.069 1.00 0.00 C ATOM 564 O LEU A 632 177.618 -7.806 -0.859 1.00 0.00 O ATOM 565 CB LEU A 632 176.839 -5.830 -3.382 1.00 0.00 C ATOM 566 CG LEU A 632 176.824 -4.834 -2.213 1.00 0.00 C ATOM 567 CD1 LEU A 632 175.547 -4.957 -1.400 1.00 0.00 C ATOM 568 CD2 LEU A 632 178.041 -5.017 -1.324 1.00 0.00 C ATOM 0 H LEU A 632 175.294 -7.740 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 632 176.811 -7.917 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 632 177.774 -5.700 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 632 176.033 -5.563 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 632 176.859 -3.831 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 632 175.567 -4.239 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 632 174.688 -4.754 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 632 175.469 -5.966 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 632 178.004 -4.299 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 632 178.047 -6.029 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 632 178.946 -4.854 -1.909 1.00 0.00 H new ATOM 580 N LYS A 633 178.973 -8.045 -2.624 1.00 0.00 N ATOM 581 CA LYS A 633 180.120 -8.448 -1.819 1.00 0.00 C ATOM 582 C LYS A 633 181.110 -7.294 -1.729 1.00 0.00 C ATOM 583 O LYS A 633 181.440 -6.678 -2.742 1.00 0.00 O ATOM 584 CB LYS A 633 180.797 -9.677 -2.427 1.00 0.00 C ATOM 585 CG LYS A 633 182.014 -10.151 -1.648 1.00 0.00 C ATOM 586 CD LYS A 633 182.149 -11.664 -1.692 1.00 0.00 C ATOM 587 CE LYS A 633 182.619 -12.141 -3.057 1.00 0.00 C ATOM 588 NZ LYS A 633 182.379 -13.598 -3.252 1.00 0.00 N ATOM 0 H LYS A 633 179.153 -8.009 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 633 179.776 -8.707 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 633 180.073 -10.490 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 633 181.098 -9.447 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 633 182.913 -9.692 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 633 181.935 -9.822 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 633 182.855 -11.990 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 633 181.189 -12.123 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 633 182.100 -11.581 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 633 183.683 -11.931 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 182.603 -13.858 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 182.985 -14.140 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 181.381 -13.815 -3.055 1.00 0.00 H new ATOM 602 N VAL A 634 181.567 -6.982 -0.521 1.00 0.00 N ATOM 603 CA VAL A 634 182.499 -5.877 -0.341 1.00 0.00 C ATOM 604 C VAL A 634 183.820 -6.321 0.258 1.00 0.00 C ATOM 605 O VAL A 634 183.904 -7.328 0.958 1.00 0.00 O ATOM 606 CB VAL A 634 181.899 -4.770 0.551 1.00 0.00 C ATOM 607 CG1 VAL A 634 182.990 -3.892 1.156 1.00 0.00 C ATOM 608 CG2 VAL A 634 180.924 -3.931 -0.250 1.00 0.00 C ATOM 0 H VAL A 634 181.311 -7.471 0.337 1.00 0.00 H new ATOM 0 HA VAL A 634 182.685 -5.484 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 634 181.366 -5.247 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 634 182.534 -3.122 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 634 183.654 -4.505 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 634 183.562 -3.420 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 634 180.505 -3.152 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 634 181.444 -3.471 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 634 180.120 -4.565 -0.624 1.00 0.00 H new ATOM 618 N VAL A 635 184.843 -5.530 -0.020 1.00 0.00 N ATOM 619 CA VAL A 635 186.176 -5.786 0.484 1.00 0.00 C ATOM 620 C VAL A 635 186.542 -4.763 1.559 1.00 0.00 C ATOM 621 O VAL A 635 185.942 -3.689 1.634 1.00 0.00 O ATOM 622 CB VAL A 635 187.201 -5.758 -0.670 1.00 0.00 C ATOM 623 CG1 VAL A 635 188.475 -5.026 -0.283 1.00 0.00 C ATOM 624 CG2 VAL A 635 187.500 -7.172 -1.121 1.00 0.00 C ATOM 0 H VAL A 635 184.770 -4.695 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 635 186.196 -6.778 0.934 1.00 0.00 H new ATOM 0 HB VAL A 635 186.763 -5.204 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 635 189.167 -5.031 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 635 188.236 -3.997 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 635 188.937 -5.525 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 635 188.224 -7.149 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 635 187.911 -7.741 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 635 186.581 -7.646 -1.466 1.00 0.00 H new ATOM 634 N GLY A 636 187.524 -5.098 2.388 1.00 0.00 N ATOM 635 CA GLY A 636 187.943 -4.192 3.442 1.00 0.00 C ATOM 636 C GLY A 636 189.442 -3.973 3.458 1.00 0.00 C ATOM 637 O GLY A 636 190.204 -4.825 3.005 1.00 0.00 O ATOM 0 H GLY A 636 188.037 -5.979 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 636 187.441 -3.233 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 636 187.627 -4.591 4.406 1.00 0.00 H new ATOM 641 N GLY A 637 189.864 -2.825 3.978 1.00 0.00 N ATOM 642 CA GLY A 637 191.282 -2.517 4.042 1.00 0.00 C ATOM 643 C GLY A 637 191.899 -2.310 2.673 1.00 0.00 C ATOM 644 O GLY A 637 192.791 -3.056 2.268 1.00 0.00 O ATOM 0 H GLY A 637 189.251 -2.103 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 637 191.427 -1.618 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 637 191.803 -3.328 4.552 1.00 0.00 H new ATOM 648 N LYS A 638 191.425 -1.294 1.959 1.00 0.00 N ATOM 649 CA LYS A 638 191.939 -0.988 0.628 1.00 0.00 C ATOM 650 C LYS A 638 192.528 0.418 0.587 1.00 0.00 C ATOM 651 O LYS A 638 191.815 1.393 0.352 1.00 0.00 O ATOM 652 CB LYS A 638 190.827 -1.120 -0.414 1.00 0.00 C ATOM 653 CG LYS A 638 190.303 -2.539 -0.571 1.00 0.00 C ATOM 654 CD LYS A 638 191.365 -3.467 -1.139 1.00 0.00 C ATOM 655 CE LYS A 638 191.081 -3.819 -2.592 1.00 0.00 C ATOM 656 NZ LYS A 638 191.048 -2.609 -3.459 1.00 0.00 N ATOM 0 H LYS A 638 190.686 -0.668 2.279 1.00 0.00 H new ATOM 0 HA LYS A 638 192.729 -1.702 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 638 190.001 -0.466 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 638 191.200 -0.771 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 638 189.971 -2.914 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 638 189.433 -2.536 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 638 192.343 -2.991 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 638 191.408 -4.380 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 638 191.846 -4.506 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 638 190.126 -4.340 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 638 190.971 -2.898 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 638 190.229 -2.021 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 638 191.922 -2.061 -3.324 1.00 0.00 H new ATOM 763 N LEU A 645 192.190 3.810 4.305 1.00 0.00 N ATOM 764 CA LEU A 645 191.583 2.522 3.993 1.00 0.00 C ATOM 765 C LEU A 645 190.068 2.648 3.868 1.00 0.00 C ATOM 766 O LEU A 645 189.455 3.525 4.478 1.00 0.00 O ATOM 767 CB LEU A 645 191.932 1.495 5.071 1.00 0.00 C ATOM 768 CG LEU A 645 193.391 1.034 5.078 1.00 0.00 C ATOM 769 CD1 LEU A 645 193.654 0.120 6.264 1.00 0.00 C ATOM 770 CD2 LEU A 645 193.736 0.330 3.772 1.00 0.00 C ATOM 0 HA LEU A 645 191.982 2.185 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 645 191.697 1.921 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 645 191.292 0.622 4.941 1.00 0.00 H new ATOM 0 HG LEU A 645 194.030 1.912 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 645 194.696 -0.199 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 645 193.448 0.657 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 645 193.007 -0.755 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 645 194.778 0.009 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 645 193.091 -0.540 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 645 193.586 1.016 2.938 1.00 0.00 H new ATOM 782 N GLY A 646 189.472 1.768 3.072 1.00 0.00 N ATOM 783 CA GLY A 646 188.033 1.799 2.879 1.00 0.00 C ATOM 784 C GLY A 646 187.473 0.457 2.452 1.00 0.00 C ATOM 785 O GLY A 646 188.034 -0.590 2.778 1.00 0.00 O ATOM 0 H GLY A 646 189.958 1.034 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 646 187.552 2.111 3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 646 187.787 2.547 2.126 1.00 0.00 H new ATOM 789 N ALA A 647 186.359 0.486 1.725 1.00 0.00 N ATOM 790 CA ALA A 647 185.720 -0.737 1.257 1.00 0.00 C ATOM 791 C ALA A 647 185.296 -0.622 -0.205 1.00 0.00 C ATOM 792 O ALA A 647 184.853 0.434 -0.653 1.00 0.00 O ATOM 793 CB ALA A 647 184.518 -1.069 2.129 1.00 0.00 C ATOM 0 H ALA A 647 185.882 1.344 1.448 1.00 0.00 H new ATOM 0 HA ALA A 647 186.449 -1.544 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 647 184.049 -1.985 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 647 184.844 -1.209 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 647 183.799 -0.251 2.084 1.00 0.00 H new ATOM 799 N PHE A 648 185.434 -1.722 -0.939 1.00 0.00 N ATOM 800 CA PHE A 648 185.064 -1.758 -2.349 1.00 0.00 C ATOM 801 C PHE A 648 184.178 -2.965 -2.641 1.00 0.00 C ATOM 802 O PHE A 648 184.356 -4.029 -2.051 1.00 0.00 O ATOM 803 CB PHE A 648 186.317 -1.807 -3.226 1.00 0.00 C ATOM 804 CG PHE A 648 186.988 -0.474 -3.395 1.00 0.00 C ATOM 805 CD1 PHE A 648 187.957 -0.054 -2.498 1.00 0.00 C ATOM 806 CD2 PHE A 648 186.649 0.357 -4.450 1.00 0.00 C ATOM 807 CE1 PHE A 648 188.577 1.172 -2.651 1.00 0.00 C ATOM 808 CE2 PHE A 648 187.265 1.584 -4.609 1.00 0.00 C ATOM 809 CZ PHE A 648 188.230 1.992 -3.709 1.00 0.00 C ATOM 0 H PHE A 648 185.801 -2.603 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 648 184.505 -0.851 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 648 187.028 -2.509 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 648 186.047 -2.195 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 648 188.231 -0.691 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 648 185.895 0.043 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 648 189.331 1.489 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 648 186.992 2.223 -5.436 1.00 0.00 H new ATOM 0 HZ PHE A 648 188.713 2.950 -3.831 1.00 0.00 H new ATOM 819 N ILE A 649 183.226 -2.797 -3.551 1.00 0.00 N ATOM 820 CA ILE A 649 182.321 -3.884 -3.909 1.00 0.00 C ATOM 821 C ILE A 649 182.965 -4.817 -4.932 1.00 0.00 C ATOM 822 O ILE A 649 183.311 -4.403 -6.038 1.00 0.00 O ATOM 823 CB ILE A 649 180.986 -3.348 -4.481 1.00 0.00 C ATOM 824 CG1 ILE A 649 180.240 -2.525 -3.430 1.00 0.00 C ATOM 825 CG2 ILE A 649 180.112 -4.493 -4.972 1.00 0.00 C ATOM 826 CD1 ILE A 649 179.313 -1.487 -4.027 1.00 0.00 C ATOM 0 H ILE A 649 183.061 -1.924 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 649 182.114 -4.438 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 649 181.216 -2.702 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 649 179.661 -3.197 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 649 180.966 -2.027 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 649 179.179 -4.094 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 649 180.636 -5.040 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 649 179.894 -5.166 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 649 178.816 -0.940 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 649 179.890 -0.792 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 649 178.565 -1.981 -4.647 1.00 0.00 H new ATOM 838 N THR A 650 183.129 -6.078 -4.548 1.00 0.00 N ATOM 839 CA THR A 650 183.738 -7.074 -5.423 1.00 0.00 C ATOM 840 C THR A 650 182.754 -7.568 -6.481 1.00 0.00 C ATOM 841 O THR A 650 183.151 -7.890 -7.602 1.00 0.00 O ATOM 842 CB THR A 650 184.254 -8.257 -4.602 1.00 0.00 C ATOM 843 OG1 THR A 650 183.184 -9.091 -4.196 1.00 0.00 O ATOM 844 CG2 THR A 650 185.011 -7.840 -3.359 1.00 0.00 C ATOM 0 H THR A 650 182.848 -6.436 -3.635 1.00 0.00 H new ATOM 0 HA THR A 650 184.574 -6.596 -5.935 1.00 0.00 H new ATOM 0 HB THR A 650 184.939 -8.789 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 650 183.228 -9.940 -4.683 1.00 0.00 H new ATOM 0 HG21 THR A 650 185.349 -8.727 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 650 185.874 -7.238 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 650 184.356 -7.254 -2.714 1.00 0.00 H new ATOM 852 N LYS A 651 181.474 -7.633 -6.126 1.00 0.00 N ATOM 853 CA LYS A 651 180.455 -8.098 -7.064 1.00 0.00 C ATOM 854 C LYS A 651 179.045 -7.853 -6.533 1.00 0.00 C ATOM 855 O LYS A 651 178.832 -7.737 -5.327 1.00 0.00 O ATOM 856 CB LYS A 651 180.649 -9.588 -7.359 1.00 0.00 C ATOM 857 CG LYS A 651 180.361 -10.490 -6.169 1.00 0.00 C ATOM 858 CD LYS A 651 181.259 -11.719 -6.168 1.00 0.00 C ATOM 859 CE LYS A 651 181.089 -12.538 -7.438 1.00 0.00 C ATOM 860 NZ LYS A 651 182.243 -12.373 -8.364 1.00 0.00 N ATOM 0 H LYS A 651 181.119 -7.373 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 651 180.570 -7.527 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 651 179.998 -9.873 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 651 181.675 -9.753 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 651 180.507 -9.931 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 651 179.317 -10.802 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 651 182.300 -11.410 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 651 181.028 -12.338 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 651 180.979 -13.591 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 651 180.172 -12.237 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 182.278 -13.178 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 182.132 -11.490 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 183.126 -12.335 -7.815 1.00 0.00 H new ATOM 874 N VAL A 652 178.089 -7.779 -7.454 1.00 0.00 N ATOM 875 CA VAL A 652 176.688 -7.550 -7.100 1.00 0.00 C ATOM 876 C VAL A 652 175.788 -8.637 -7.679 1.00 0.00 C ATOM 877 O VAL A 652 175.915 -9.003 -8.847 1.00 0.00 O ATOM 878 CB VAL A 652 176.183 -6.177 -7.603 1.00 0.00 C ATOM 879 CG1 VAL A 652 176.020 -5.204 -6.450 1.00 0.00 C ATOM 880 CG2 VAL A 652 177.115 -5.604 -8.656 1.00 0.00 C ATOM 0 H VAL A 652 178.258 -7.874 -8.455 1.00 0.00 H new ATOM 0 HA VAL A 652 176.641 -7.571 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 652 175.206 -6.331 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 652 175.664 -4.246 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 652 175.298 -5.602 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 652 176.980 -5.063 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 652 176.735 -4.639 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 652 178.110 -5.474 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 652 177.170 -6.287 -9.504 1.00 0.00 H new ATOM 890 N LYS A 653 174.870 -9.139 -6.860 1.00 0.00 N ATOM 891 CA LYS A 653 173.940 -10.173 -7.300 1.00 0.00 C ATOM 892 C LYS A 653 172.696 -9.541 -7.925 1.00 0.00 C ATOM 893 O LYS A 653 171.851 -8.988 -7.222 1.00 0.00 O ATOM 894 CB LYS A 653 173.543 -11.070 -6.125 1.00 0.00 C ATOM 895 CG LYS A 653 173.939 -12.525 -6.311 1.00 0.00 C ATOM 896 CD LYS A 653 172.839 -13.318 -6.997 1.00 0.00 C ATOM 897 CE LYS A 653 173.149 -13.548 -8.468 1.00 0.00 C ATOM 898 NZ LYS A 653 171.931 -13.436 -9.316 1.00 0.00 N ATOM 0 H LYS A 653 174.750 -8.848 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 653 174.437 -10.785 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 653 174.007 -10.689 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 653 172.464 -11.011 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 653 174.853 -12.582 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 653 174.159 -12.970 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 653 172.715 -14.278 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 653 171.893 -12.785 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 653 173.891 -12.822 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 653 173.591 -14.536 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 172.178 -13.633 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 171.219 -14.123 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 171.543 -12.474 -9.241 1.00 0.00 H new ATOM 912 N LYS A 654 172.598 -9.622 -9.248 1.00 0.00 N ATOM 913 CA LYS A 654 171.464 -9.053 -9.969 1.00 0.00 C ATOM 914 C LYS A 654 170.150 -9.687 -9.524 1.00 0.00 C ATOM 915 O LYS A 654 169.880 -10.851 -9.818 1.00 0.00 O ATOM 916 CB LYS A 654 171.647 -9.240 -11.476 1.00 0.00 C ATOM 917 CG LYS A 654 171.171 -8.052 -12.299 1.00 0.00 C ATOM 918 CD LYS A 654 172.256 -7.557 -13.244 1.00 0.00 C ATOM 919 CE LYS A 654 171.736 -6.463 -14.162 1.00 0.00 C ATOM 920 NZ LYS A 654 171.410 -5.218 -13.415 1.00 0.00 N ATOM 0 H LYS A 654 173.290 -10.076 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 654 171.424 -7.988 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 654 172.702 -9.418 -11.686 1.00 0.00 H new ATOM 0 HB3 LYS A 654 171.104 -10.131 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 654 170.289 -8.336 -12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 654 170.871 -7.243 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 654 173.099 -7.179 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 654 172.627 -8.389 -13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 654 172.484 -6.243 -14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 654 170.846 -6.818 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 654 171.123 -4.476 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 654 170.631 -5.405 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 654 172.247 -4.902 -12.885 1.00 0.00 H new ATOM 934 N GLY A 655 169.336 -8.913 -8.812 1.00 0.00 N ATOM 935 CA GLY A 655 168.060 -9.415 -8.338 1.00 0.00 C ATOM 936 C GLY A 655 167.852 -9.160 -6.858 1.00 0.00 C ATOM 937 O GLY A 655 166.718 -9.083 -6.388 1.00 0.00 O ATOM 0 H GLY A 655 169.538 -7.947 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 655 167.255 -8.943 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 655 168.000 -10.486 -8.531 1.00 0.00 H new ATOM 941 N SER A 656 168.952 -9.029 -6.124 1.00 0.00 N ATOM 942 CA SER A 656 168.886 -8.781 -4.690 1.00 0.00 C ATOM 943 C SER A 656 168.472 -7.341 -4.404 1.00 0.00 C ATOM 944 O SER A 656 168.293 -6.542 -5.322 1.00 0.00 O ATOM 945 CB SER A 656 170.239 -9.071 -4.040 1.00 0.00 C ATOM 946 OG SER A 656 170.885 -10.163 -4.671 1.00 0.00 O ATOM 0 H SER A 656 169.899 -9.091 -6.499 1.00 0.00 H new ATOM 0 HA SER A 656 168.135 -9.447 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 656 170.872 -8.186 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 656 170.098 -9.290 -2.982 1.00 0.00 H new ATOM 0 HG SER A 656 171.450 -10.630 -4.020 1.00 0.00 H new ATOM 952 N LEU A 657 168.319 -7.021 -3.125 1.00 0.00 N ATOM 953 CA LEU A 657 167.920 -5.681 -2.713 1.00 0.00 C ATOM 954 C LEU A 657 168.967 -4.644 -3.105 1.00 0.00 C ATOM 955 O LEU A 657 168.646 -3.611 -3.689 1.00 0.00 O ATOM 956 CB LEU A 657 167.693 -5.637 -1.200 1.00 0.00 C ATOM 957 CG LEU A 657 166.770 -6.730 -0.651 1.00 0.00 C ATOM 958 CD1 LEU A 657 167.571 -7.773 0.112 1.00 0.00 C ATOM 959 CD2 LEU A 657 165.698 -6.123 0.242 1.00 0.00 C ATOM 0 H LEU A 657 168.465 -7.672 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 657 166.990 -5.440 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 657 168.659 -5.714 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 657 167.275 -4.665 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 657 166.281 -7.221 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 657 166.898 -8.541 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 657 168.302 -8.230 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 657 168.088 -7.297 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 657 165.051 -6.913 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 657 166.170 -5.606 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 657 165.103 -5.414 -0.334 1.00 0.00 H new ATOM 971 N ALA A 658 170.218 -4.923 -2.768 1.00 0.00 N ATOM 972 CA ALA A 658 171.321 -4.011 -3.068 1.00 0.00 C ATOM 973 C ALA A 658 171.266 -3.503 -4.504 1.00 0.00 C ATOM 974 O ALA A 658 171.624 -2.360 -4.781 1.00 0.00 O ATOM 975 CB ALA A 658 172.653 -4.697 -2.807 1.00 0.00 C ATOM 0 H ALA A 658 170.499 -5.776 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 658 171.222 -3.148 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 658 173.467 -4.009 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 658 172.710 -4.994 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 658 172.738 -5.580 -3.440 1.00 0.00 H new ATOM 981 N ASP A 659 170.831 -4.362 -5.414 1.00 0.00 N ATOM 982 CA ASP A 659 170.748 -4.002 -6.827 1.00 0.00 C ATOM 983 C ASP A 659 169.492 -3.188 -7.135 1.00 0.00 C ATOM 984 O ASP A 659 169.562 -2.151 -7.794 1.00 0.00 O ATOM 985 CB ASP A 659 170.778 -5.262 -7.694 1.00 0.00 C ATOM 986 CG ASP A 659 171.835 -5.192 -8.779 1.00 0.00 C ATOM 987 OD1 ASP A 659 173.008 -4.918 -8.448 1.00 0.00 O ATOM 988 OD2 ASP A 659 171.489 -5.410 -9.959 1.00 0.00 O ATOM 0 H ASP A 659 170.530 -5.313 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 659 171.612 -3.379 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 659 170.967 -6.130 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 659 169.800 -5.408 -8.152 1.00 0.00 H new ATOM 993 N VAL A 660 168.348 -3.675 -6.677 1.00 0.00 N ATOM 994 CA VAL A 660 167.075 -3.002 -6.928 1.00 0.00 C ATOM 995 C VAL A 660 166.914 -1.725 -6.099 1.00 0.00 C ATOM 996 O VAL A 660 166.508 -0.690 -6.627 1.00 0.00 O ATOM 997 CB VAL A 660 165.867 -3.929 -6.667 1.00 0.00 C ATOM 998 CG1 VAL A 660 165.597 -4.806 -7.880 1.00 0.00 C ATOM 999 CG2 VAL A 660 166.084 -4.781 -5.424 1.00 0.00 C ATOM 0 H VAL A 660 168.272 -4.532 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 660 167.094 -2.731 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 660 164.993 -3.302 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 660 164.743 -5.453 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 660 165.380 -4.177 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 660 166.474 -5.418 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 660 165.217 -5.423 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 660 166.973 -5.398 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 660 166.218 -4.133 -4.558 1.00 0.00 H new ATOM 1009 N VAL A 661 167.219 -1.797 -4.806 1.00 0.00 N ATOM 1010 CA VAL A 661 167.086 -0.634 -3.933 1.00 0.00 C ATOM 1011 C VAL A 661 168.388 0.159 -3.843 1.00 0.00 C ATOM 1012 O VAL A 661 168.370 1.374 -3.642 1.00 0.00 O ATOM 1013 CB VAL A 661 166.629 -1.035 -2.514 1.00 0.00 C ATOM 1014 CG1 VAL A 661 167.664 -1.919 -1.835 1.00 0.00 C ATOM 1015 CG2 VAL A 661 166.343 0.203 -1.676 1.00 0.00 C ATOM 0 H VAL A 661 167.557 -2.640 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 661 166.321 -0.000 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 661 165.707 -1.610 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 661 167.316 -2.186 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 661 167.811 -2.825 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 661 168.608 -1.380 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 661 166.022 -0.099 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 661 167.247 0.807 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 661 165.555 0.789 -2.149 1.00 0.00 H new ATOM 1025 N GLY A 662 169.516 -0.528 -3.993 1.00 0.00 N ATOM 1026 CA GLY A 662 170.803 0.141 -3.926 1.00 0.00 C ATOM 1027 C GLY A 662 171.276 0.610 -5.286 1.00 0.00 C ATOM 1028 O GLY A 662 171.662 1.768 -5.454 1.00 0.00 O ATOM 0 H GLY A 662 169.562 -1.533 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 662 170.732 0.996 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 662 171.542 -0.538 -3.501 1.00 0.00 H new ATOM 1032 N HIS A 663 171.237 -0.290 -6.261 1.00 0.00 N ATOM 1033 CA HIS A 663 171.652 0.030 -7.621 1.00 0.00 C ATOM 1034 C HIS A 663 173.128 0.421 -7.684 1.00 0.00 C ATOM 1035 O HIS A 663 173.464 1.555 -8.028 1.00 0.00 O ATOM 1036 CB HIS A 663 170.788 1.160 -8.185 1.00 0.00 C ATOM 1037 CG HIS A 663 170.521 1.034 -9.652 1.00 0.00 C ATOM 1038 ND1 HIS A 663 170.520 2.111 -10.513 1.00 0.00 N ATOM 1039 CD2 HIS A 663 170.246 -0.052 -10.413 1.00 0.00 C ATOM 1040 CE1 HIS A 663 170.256 1.694 -11.738 1.00 0.00 C ATOM 1041 NE2 HIS A 663 170.085 0.385 -11.704 1.00 0.00 N ATOM 0 H HIS A 663 170.921 -1.251 -6.134 1.00 0.00 H new ATOM 0 HA HIS A 663 171.517 -0.866 -8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 663 169.838 1.181 -7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 663 171.281 2.113 -7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 663 170.168 -1.072 -10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 663 170.191 2.317 -12.618 1.00 0.00 H new ATOM 0 HE2 HIS A 663 169.868 -0.206 -12.507 1.00 0.00 H new ATOM 1050 N LEU A 664 174.008 -0.527 -7.375 1.00 0.00 N ATOM 1051 CA LEU A 664 175.442 -0.278 -7.426 1.00 0.00 C ATOM 1052 C LEU A 664 176.139 -1.421 -8.149 1.00 0.00 C ATOM 1053 O LEU A 664 175.511 -2.424 -8.488 1.00 0.00 O ATOM 1054 CB LEU A 664 176.038 -0.083 -6.024 1.00 0.00 C ATOM 1055 CG LEU A 664 175.399 -0.903 -4.903 1.00 0.00 C ATOM 1056 CD1 LEU A 664 173.992 -0.409 -4.612 1.00 0.00 C ATOM 1057 CD2 LEU A 664 175.391 -2.377 -5.260 1.00 0.00 C ATOM 0 H LEU A 664 173.753 -1.472 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 664 175.603 0.649 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 664 177.100 -0.327 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 664 175.963 0.973 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 664 175.996 -0.775 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 664 173.555 -1.006 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 664 174.029 0.637 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 664 173.381 -0.503 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 664 174.933 -2.945 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 664 174.820 -2.526 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 664 176.415 -2.721 -5.410 1.00 0.00 H new ATOM 1069 N ARG A 665 177.429 -1.265 -8.398 1.00 0.00 N ATOM 1070 CA ARG A 665 178.191 -2.290 -9.098 1.00 0.00 C ATOM 1071 C ARG A 665 179.576 -2.466 -8.492 1.00 0.00 C ATOM 1072 O ARG A 665 180.077 -1.586 -7.791 1.00 0.00 O ATOM 1073 CB ARG A 665 178.315 -1.936 -10.581 1.00 0.00 C ATOM 1074 CG ARG A 665 177.002 -2.028 -11.341 1.00 0.00 C ATOM 1075 CD ARG A 665 176.680 -3.464 -11.724 1.00 0.00 C ATOM 1076 NE ARG A 665 177.186 -3.803 -13.052 1.00 0.00 N ATOM 1077 CZ ARG A 665 176.591 -3.437 -14.186 1.00 0.00 C ATOM 1078 NH1 ARG A 665 175.475 -2.721 -14.159 1.00 0.00 N ATOM 1079 NH2 ARG A 665 177.117 -3.790 -15.351 1.00 0.00 N ATOM 0 H ARG A 665 177.970 -0.443 -8.128 1.00 0.00 H new ATOM 0 HA ARG A 665 177.653 -3.232 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 665 178.708 -0.923 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 665 179.041 -2.603 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 665 176.196 -1.624 -10.728 1.00 0.00 H new ATOM 0 HG3 ARG A 665 177.057 -1.414 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 665 177.112 -4.141 -10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 665 175.600 -3.613 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 665 178.044 -4.351 -13.114 1.00 0.00 H new ATOM 0 HH11 ARG A 665 175.066 -2.447 -13.266 1.00 0.00 H new ATOM 0 HH12 ARG A 665 175.025 -2.445 -15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 665 177.975 -4.341 -15.377 1.00 0.00 H new ATOM 0 HH22 ARG A 665 176.663 -3.511 -16.221 1.00 0.00 H new ATOM 1093 N ALA A 666 180.190 -3.609 -8.773 1.00 0.00 N ATOM 1094 CA ALA A 666 181.520 -3.906 -8.263 1.00 0.00 C ATOM 1095 C ALA A 666 182.507 -2.814 -8.652 1.00 0.00 C ATOM 1096 O ALA A 666 182.664 -2.496 -9.830 1.00 0.00 O ATOM 1097 CB ALA A 666 181.991 -5.256 -8.778 1.00 0.00 C ATOM 0 H ALA A 666 179.786 -4.345 -9.352 1.00 0.00 H new ATOM 0 HA ALA A 666 181.469 -3.944 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 666 182.987 -5.466 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 666 181.301 -6.032 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 666 182.023 -5.239 -9.867 1.00 0.00 H new ATOM 1103 N GLY A 667 183.157 -2.234 -7.653 1.00 0.00 N ATOM 1104 CA GLY A 667 184.110 -1.171 -7.905 1.00 0.00 C ATOM 1105 C GLY A 667 183.803 0.068 -7.091 1.00 0.00 C ATOM 1106 O GLY A 667 184.685 0.886 -6.831 1.00 0.00 O ATOM 0 H GLY A 667 183.041 -2.481 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 667 185.115 -1.521 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 667 184.101 -0.920 -8.966 1.00 0.00 H new ATOM 1110 N ASP A 668 182.545 0.201 -6.679 1.00 0.00 N ATOM 1111 CA ASP A 668 182.119 1.343 -5.879 1.00 0.00 C ATOM 1112 C ASP A 668 182.772 1.300 -4.503 1.00 0.00 C ATOM 1113 O ASP A 668 182.955 0.228 -3.925 1.00 0.00 O ATOM 1114 CB ASP A 668 180.596 1.354 -5.737 1.00 0.00 C ATOM 1115 CG ASP A 668 179.926 2.245 -6.763 1.00 0.00 C ATOM 1116 OD1 ASP A 668 180.437 2.329 -7.901 1.00 0.00 O ATOM 1117 OD2 ASP A 668 178.891 2.860 -6.432 1.00 0.00 O ATOM 0 H ASP A 668 181.804 -0.468 -6.886 1.00 0.00 H new ATOM 0 HA ASP A 668 182.431 2.256 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 668 180.217 0.337 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 668 180.330 1.693 -4.736 1.00 0.00 H new ATOM 1122 N GLU A 669 183.127 2.469 -3.983 1.00 0.00 N ATOM 1123 CA GLU A 669 183.763 2.554 -2.676 1.00 0.00 C ATOM 1124 C GLU A 669 182.770 2.997 -1.610 1.00 0.00 C ATOM 1125 O GLU A 669 182.284 4.128 -1.633 1.00 0.00 O ATOM 1126 CB GLU A 669 184.944 3.527 -2.724 1.00 0.00 C ATOM 1127 CG GLU A 669 185.951 3.316 -1.605 1.00 0.00 C ATOM 1128 CD GLU A 669 186.793 4.548 -1.335 1.00 0.00 C ATOM 1129 OE1 GLU A 669 186.643 5.545 -2.072 1.00 0.00 O ATOM 1130 OE2 GLU A 669 187.604 4.515 -0.385 1.00 0.00 O ATOM 0 H GLU A 669 182.986 3.367 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 669 184.126 1.560 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 669 185.452 3.422 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 669 184.565 4.548 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 669 185.422 3.036 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 669 186.605 2.483 -1.863 1.00 0.00 H new ATOM 1137 N VAL A 670 182.474 2.102 -0.674 1.00 0.00 N ATOM 1138 CA VAL A 670 181.543 2.409 0.405 1.00 0.00 C ATOM 1139 C VAL A 670 182.292 2.913 1.634 1.00 0.00 C ATOM 1140 O VAL A 670 182.879 2.130 2.380 1.00 0.00 O ATOM 1141 CB VAL A 670 180.692 1.179 0.791 1.00 0.00 C ATOM 1142 CG1 VAL A 670 179.920 1.430 2.082 1.00 0.00 C ATOM 1143 CG2 VAL A 670 179.739 0.815 -0.336 1.00 0.00 C ATOM 0 H VAL A 670 182.864 1.160 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 670 180.875 3.189 0.041 1.00 0.00 H new ATOM 0 HB VAL A 670 181.368 0.341 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 670 179.330 0.548 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 670 180.621 1.637 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 670 179.257 2.285 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 670 179.148 -0.054 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 670 179.075 1.656 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 670 180.310 0.582 -1.234 1.00 0.00 H new ATOM 1153 N LEU A 671 182.267 4.225 1.840 1.00 0.00 N ATOM 1154 CA LEU A 671 182.942 4.829 2.981 1.00 0.00 C ATOM 1155 C LEU A 671 182.085 4.740 4.244 1.00 0.00 C ATOM 1156 O LEU A 671 182.473 5.238 5.300 1.00 0.00 O ATOM 1157 CB LEU A 671 183.284 6.295 2.691 1.00 0.00 C ATOM 1158 CG LEU A 671 184.026 6.555 1.374 1.00 0.00 C ATOM 1159 CD1 LEU A 671 185.034 5.451 1.087 1.00 0.00 C ATOM 1160 CD2 LEU A 671 183.038 6.690 0.225 1.00 0.00 C ATOM 0 H LEU A 671 181.787 4.889 1.232 1.00 0.00 H new ATOM 0 HA LEU A 671 183.864 4.272 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 671 182.359 6.871 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 671 183.892 6.677 3.511 1.00 0.00 H new ATOM 0 HG LEU A 671 184.574 7.492 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 671 185.546 5.661 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 671 185.764 5.405 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 671 184.515 4.495 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 671 183.581 6.874 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 671 182.461 5.770 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 671 182.363 7.523 0.422 1.00 0.00 H new ATOM 1172 N GLU A 672 180.916 4.113 4.133 1.00 0.00 N ATOM 1173 CA GLU A 672 180.019 3.980 5.274 1.00 0.00 C ATOM 1174 C GLU A 672 179.242 2.668 5.226 1.00 0.00 C ATOM 1175 O GLU A 672 178.580 2.364 4.236 1.00 0.00 O ATOM 1176 CB GLU A 672 179.045 5.154 5.309 1.00 0.00 C ATOM 1177 CG GLU A 672 179.711 6.489 5.596 1.00 0.00 C ATOM 1178 CD GLU A 672 178.878 7.374 6.504 1.00 0.00 C ATOM 1179 OE1 GLU A 672 177.634 7.277 6.448 1.00 0.00 O ATOM 1180 OE2 GLU A 672 179.470 8.165 7.268 1.00 0.00 O ATOM 0 H GLU A 672 180.571 3.692 3.270 1.00 0.00 H new ATOM 0 HA GLU A 672 180.627 3.979 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 672 178.527 5.214 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 672 178.288 4.964 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 672 180.683 6.314 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 672 179.894 7.009 4.656 1.00 0.00 H new ATOM 1187 N TRP A 673 179.318 1.906 6.311 1.00 0.00 N ATOM 1188 CA TRP A 673 178.611 0.634 6.411 1.00 0.00 C ATOM 1189 C TRP A 673 177.845 0.565 7.727 1.00 0.00 C ATOM 1190 O TRP A 673 178.443 0.576 8.803 1.00 0.00 O ATOM 1191 CB TRP A 673 179.593 -0.534 6.318 1.00 0.00 C ATOM 1192 CG TRP A 673 178.933 -1.846 6.023 1.00 0.00 C ATOM 1193 CD1 TRP A 673 178.202 -2.612 6.885 1.00 0.00 C ATOM 1194 CD2 TRP A 673 178.950 -2.549 4.777 1.00 0.00 C ATOM 1195 NE1 TRP A 673 177.764 -3.749 6.249 1.00 0.00 N ATOM 1196 CE2 TRP A 673 178.211 -3.734 4.954 1.00 0.00 C ATOM 1197 CE3 TRP A 673 179.519 -2.292 3.530 1.00 0.00 C ATOM 1198 CZ2 TRP A 673 178.031 -4.658 3.927 1.00 0.00 C ATOM 1199 CZ3 TRP A 673 179.338 -3.208 2.515 1.00 0.00 C ATOM 1200 CH2 TRP A 673 178.600 -4.381 2.718 1.00 0.00 C ATOM 0 H TRP A 673 179.865 2.148 7.137 1.00 0.00 H new ATOM 0 HA TRP A 673 177.906 0.563 5.583 1.00 0.00 H new ATOM 0 HB2 TRP A 673 180.326 -0.321 5.539 1.00 0.00 H new ATOM 0 HB3 TRP A 673 180.140 -0.614 7.257 1.00 0.00 H new ATOM 0 HD1 TRP A 673 177.998 -2.361 7.915 1.00 0.00 H new ATOM 0 HE1 TRP A 673 177.198 -4.484 6.672 1.00 0.00 H new ATOM 0 HE3 TRP A 673 180.091 -1.392 3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 177.461 -5.562 4.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 179.774 -3.017 1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 673 178.479 -5.079 1.903 1.00 0.00 H new ATOM 1211 N ASN A 674 176.522 0.502 7.638 1.00 0.00 N ATOM 1212 CA ASN A 674 175.682 0.443 8.829 1.00 0.00 C ATOM 1213 C ASN A 674 175.767 1.750 9.609 1.00 0.00 C ATOM 1214 O ASN A 674 175.726 1.760 10.840 1.00 0.00 O ATOM 1215 CB ASN A 674 176.090 -0.731 9.722 1.00 0.00 C ATOM 1216 CG ASN A 674 175.020 -1.086 10.736 1.00 0.00 C ATOM 1217 OD1 ASN A 674 175.198 -0.891 11.939 1.00 0.00 O ATOM 1218 ND2 ASN A 674 173.900 -1.612 10.254 1.00 0.00 N ATOM 0 H ASN A 674 176.008 0.490 6.757 1.00 0.00 H new ATOM 0 HA ASN A 674 174.651 0.293 8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 674 176.300 -1.601 9.100 1.00 0.00 H new ATOM 0 HB3 ASN A 674 177.014 -0.482 10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 674 173.145 -1.872 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 674 173.795 -1.756 9.250 1.00 0.00 H new ATOM 1225 N GLY A 675 175.871 2.853 8.877 1.00 0.00 N ATOM 1226 CA GLY A 675 175.946 4.163 9.500 1.00 0.00 C ATOM 1227 C GLY A 675 177.255 4.413 10.230 1.00 0.00 C ATOM 1228 O GLY A 675 177.334 5.315 11.065 1.00 0.00 O ATOM 0 H GLY A 675 175.905 2.864 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 675 175.814 4.928 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 675 175.121 4.270 10.204 1.00 0.00 H new ATOM 1232 N LYS A 676 178.285 3.627 9.925 1.00 0.00 N ATOM 1233 CA LYS A 676 179.581 3.796 10.574 1.00 0.00 C ATOM 1234 C LYS A 676 180.610 4.340 9.595 1.00 0.00 C ATOM 1235 O LYS A 676 180.503 4.120 8.388 1.00 0.00 O ATOM 1236 CB LYS A 676 180.068 2.457 11.158 1.00 0.00 C ATOM 1237 CG LYS A 676 181.337 1.887 10.508 1.00 0.00 C ATOM 1238 CD LYS A 676 182.430 1.639 11.538 1.00 0.00 C ATOM 1239 CE LYS A 676 181.958 0.706 12.644 1.00 0.00 C ATOM 1240 NZ LYS A 676 181.600 1.448 13.886 1.00 0.00 N ATOM 0 H LYS A 676 178.248 2.873 9.239 1.00 0.00 H new ATOM 0 HA LYS A 676 179.461 4.514 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 676 180.252 2.589 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 676 179.268 1.723 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 676 181.098 0.954 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 676 181.701 2.580 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 676 183.303 1.209 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 676 182.744 2.588 11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 676 181.093 0.141 12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 676 182.742 -0.017 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 182.060 0.999 14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 181.921 2.434 13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 180.568 1.429 14.016 1.00 0.00 H new ATOM 1254 N PRO A 677 181.641 5.033 10.099 1.00 0.00 N ATOM 1255 CA PRO A 677 182.692 5.562 9.254 1.00 0.00 C ATOM 1256 C PRO A 677 183.793 4.531 9.038 1.00 0.00 C ATOM 1257 O PRO A 677 184.430 4.075 9.988 1.00 0.00 O ATOM 1258 CB PRO A 677 183.207 6.741 10.073 1.00 0.00 C ATOM 1259 CG PRO A 677 183.013 6.330 11.499 1.00 0.00 C ATOM 1260 CD PRO A 677 181.878 5.331 11.523 1.00 0.00 C ATOM 0 HA PRO A 677 182.351 5.836 8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 677 184.257 6.943 9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 677 182.654 7.652 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 677 183.925 5.887 11.900 1.00 0.00 H new ATOM 0 HG3 PRO A 677 182.779 7.194 12.121 1.00 0.00 H new ATOM 0 HD2 PRO A 677 182.147 4.434 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 677 180.989 5.747 11.998 1.00 0.00 H new ATOM 1268 N LEU A 678 184.000 4.164 7.784 1.00 0.00 N ATOM 1269 CA LEU A 678 185.013 3.178 7.422 1.00 0.00 C ATOM 1270 C LEU A 678 186.377 3.818 7.130 1.00 0.00 C ATOM 1271 O LEU A 678 187.409 3.230 7.446 1.00 0.00 O ATOM 1272 CB LEU A 678 184.546 2.366 6.213 1.00 0.00 C ATOM 1273 CG LEU A 678 183.179 1.697 6.377 1.00 0.00 C ATOM 1274 CD1 LEU A 678 182.753 1.029 5.079 1.00 0.00 C ATOM 1275 CD2 LEU A 678 183.210 0.688 7.517 1.00 0.00 C ATOM 0 H LEU A 678 183.477 4.536 6.991 1.00 0.00 H new ATOM 0 HA LEU A 678 185.143 2.519 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 678 184.511 3.023 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 678 185.288 1.596 6.002 1.00 0.00 H new ATOM 0 HG LEU A 678 182.447 2.466 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 678 181.779 0.559 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 678 182.688 1.777 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 678 183.486 0.272 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 678 182.229 0.223 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 678 183.955 -0.079 7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 678 183.468 1.196 8.446 1.00 0.00 H new ATOM 1287 N PRO A 679 186.418 5.023 6.518 1.00 0.00 N ATOM 1288 CA PRO A 679 187.682 5.695 6.199 1.00 0.00 C ATOM 1289 C PRO A 679 188.706 5.583 7.327 1.00 0.00 C ATOM 1290 O PRO A 679 188.545 6.181 8.391 1.00 0.00 O ATOM 1291 CB PRO A 679 187.254 7.144 5.995 1.00 0.00 C ATOM 1292 CG PRO A 679 185.876 7.039 5.440 1.00 0.00 C ATOM 1293 CD PRO A 679 185.256 5.823 6.081 1.00 0.00 C ATOM 0 HA PRO A 679 188.179 5.254 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 679 187.265 7.699 6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 679 187.922 7.664 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 679 185.297 7.935 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 679 185.900 6.938 4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 679 184.619 6.095 6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 679 184.634 5.272 5.375 1.00 0.00 H new ATOM 1301 N GLY A 680 189.755 4.805 7.082 1.00 0.00 N ATOM 1302 CA GLY A 680 190.791 4.613 8.079 1.00 0.00 C ATOM 1303 C GLY A 680 190.776 3.217 8.677 1.00 0.00 C ATOM 1304 O GLY A 680 191.708 2.827 9.378 1.00 0.00 O ATOM 0 H GLY A 680 189.906 4.302 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 680 191.765 4.800 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 680 190.664 5.347 8.875 1.00 0.00 H new ATOM 1308 N ALA A 681 189.716 2.462 8.397 1.00 0.00 N ATOM 1309 CA ALA A 681 189.585 1.103 8.910 1.00 0.00 C ATOM 1310 C ALA A 681 190.189 0.093 7.941 1.00 0.00 C ATOM 1311 O ALA A 681 189.946 0.152 6.735 1.00 0.00 O ATOM 1312 CB ALA A 681 188.122 0.782 9.175 1.00 0.00 C ATOM 0 H ALA A 681 188.935 2.770 7.817 1.00 0.00 H new ATOM 0 HA ALA A 681 190.134 1.036 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 681 188.036 -0.235 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 681 187.723 1.481 9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 681 187.556 0.870 8.247 1.00 0.00 H new ATOM 1318 N THR A 682 190.978 -0.831 8.476 1.00 0.00 N ATOM 1319 CA THR A 682 191.620 -1.854 7.659 1.00 0.00 C ATOM 1320 C THR A 682 190.710 -3.068 7.492 1.00 0.00 C ATOM 1321 O THR A 682 189.567 -3.068 7.948 1.00 0.00 O ATOM 1322 CB THR A 682 192.956 -2.268 8.283 1.00 0.00 C ATOM 1323 OG1 THR A 682 193.483 -3.418 7.644 1.00 0.00 O ATOM 1324 CG2 THR A 682 192.860 -2.566 9.761 1.00 0.00 C ATOM 0 H THR A 682 191.189 -0.893 9.472 1.00 0.00 H new ATOM 0 HA THR A 682 191.809 -1.435 6.671 1.00 0.00 H new ATOM 0 HB THR A 682 193.612 -1.409 8.143 1.00 0.00 H new ATOM 0 HG1 THR A 682 194.337 -3.661 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 682 193.841 -2.853 10.139 1.00 0.00 H new ATOM 0 HG22 THR A 682 192.513 -1.678 10.289 1.00 0.00 H new ATOM 0 HG23 THR A 682 192.156 -3.383 9.923 1.00 0.00 H new ATOM 1332 N ASN A 683 191.225 -4.096 6.825 1.00 0.00 N ATOM 1333 CA ASN A 683 190.467 -5.319 6.577 1.00 0.00 C ATOM 1334 C ASN A 683 189.718 -5.790 7.822 1.00 0.00 C ATOM 1335 O ASN A 683 188.498 -5.932 7.804 1.00 0.00 O ATOM 1336 CB ASN A 683 191.407 -6.431 6.102 1.00 0.00 C ATOM 1337 CG ASN A 683 191.780 -6.297 4.639 1.00 0.00 C ATOM 1338 OD1 ASN A 683 191.195 -6.951 3.776 1.00 0.00 O ATOM 1339 ND2 ASN A 683 192.763 -5.451 4.353 1.00 0.00 N ATOM 0 H ASN A 683 192.171 -4.106 6.444 1.00 0.00 H new ATOM 0 HA ASN A 683 189.732 -5.094 5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 683 192.314 -6.417 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 683 190.930 -7.398 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 683 193.061 -5.323 3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 683 193.220 -4.929 5.101 1.00 0.00 H new ATOM 1346 N GLU A 684 190.456 -6.048 8.894 1.00 0.00 N ATOM 1347 CA GLU A 684 189.858 -6.528 10.135 1.00 0.00 C ATOM 1348 C GLU A 684 188.787 -5.583 10.658 1.00 0.00 C ATOM 1349 O GLU A 684 187.769 -6.029 11.188 1.00 0.00 O ATOM 1350 CB GLU A 684 190.936 -6.744 11.198 1.00 0.00 C ATOM 1351 CG GLU A 684 191.738 -5.493 11.515 1.00 0.00 C ATOM 1352 CD GLU A 684 193.028 -5.799 12.252 1.00 0.00 C ATOM 1353 OE1 GLU A 684 193.673 -6.816 11.922 1.00 0.00 O ATOM 1354 OE2 GLU A 684 193.392 -5.020 13.158 1.00 0.00 O ATOM 0 H GLU A 684 191.469 -5.933 8.930 1.00 0.00 H new ATOM 0 HA GLU A 684 189.375 -7.480 9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 684 190.465 -7.105 12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 684 191.616 -7.526 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 684 191.969 -4.969 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 684 191.130 -4.819 12.119 1.00 0.00 H new ATOM 1361 N GLU A 685 189.001 -4.284 10.506 1.00 0.00 N ATOM 1362 CA GLU A 685 188.020 -3.314 10.968 1.00 0.00 C ATOM 1363 C GLU A 685 186.712 -3.525 10.223 1.00 0.00 C ATOM 1364 O GLU A 685 185.687 -3.849 10.820 1.00 0.00 O ATOM 1365 CB GLU A 685 188.527 -1.889 10.753 1.00 0.00 C ATOM 1366 CG GLU A 685 188.785 -1.132 12.046 1.00 0.00 C ATOM 1367 CD GLU A 685 190.240 -0.735 12.212 1.00 0.00 C ATOM 1368 OE1 GLU A 685 190.932 -0.572 11.185 1.00 0.00 O ATOM 1369 OE2 GLU A 685 190.686 -0.586 13.369 1.00 0.00 O ATOM 0 H GLU A 685 189.832 -3.882 10.073 1.00 0.00 H new ATOM 0 HA GLU A 685 187.856 -3.457 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 685 189.449 -1.924 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 685 187.797 -1.339 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 685 188.164 -0.237 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 685 188.483 -1.751 12.891 1.00 0.00 H new ATOM 1376 N VAL A 686 186.769 -3.355 8.907 1.00 0.00 N ATOM 1377 CA VAL A 686 185.607 -3.534 8.048 1.00 0.00 C ATOM 1378 C VAL A 686 184.850 -4.817 8.386 1.00 0.00 C ATOM 1379 O VAL A 686 183.625 -4.810 8.508 1.00 0.00 O ATOM 1380 CB VAL A 686 186.017 -3.567 6.562 1.00 0.00 C ATOM 1381 CG1 VAL A 686 184.829 -3.936 5.686 1.00 0.00 C ATOM 1382 CG2 VAL A 686 186.605 -2.229 6.140 1.00 0.00 C ATOM 0 H VAL A 686 187.619 -3.090 8.408 1.00 0.00 H new ATOM 0 HA VAL A 686 184.951 -2.682 8.224 1.00 0.00 H new ATOM 0 HB VAL A 686 186.783 -4.331 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 686 185.139 -3.954 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 686 184.458 -4.921 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 686 184.037 -3.198 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 686 186.888 -2.272 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 686 185.863 -1.444 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 686 187.486 -2.012 6.745 1.00 0.00 H new ATOM 1392 N TYR A 687 185.583 -5.917 8.524 1.00 0.00 N ATOM 1393 CA TYR A 687 184.968 -7.204 8.834 1.00 0.00 C ATOM 1394 C TYR A 687 184.089 -7.106 10.076 1.00 0.00 C ATOM 1395 O TYR A 687 183.021 -7.714 10.141 1.00 0.00 O ATOM 1396 CB TYR A 687 186.042 -8.273 9.042 1.00 0.00 C ATOM 1397 CG TYR A 687 186.477 -8.970 7.770 1.00 0.00 C ATOM 1398 CD1 TYR A 687 187.079 -8.263 6.736 1.00 0.00 C ATOM 1399 CD2 TYR A 687 186.300 -10.339 7.612 1.00 0.00 C ATOM 1400 CE1 TYR A 687 187.489 -8.900 5.579 1.00 0.00 C ATOM 1401 CE2 TYR A 687 186.711 -10.983 6.461 1.00 0.00 C ATOM 1402 CZ TYR A 687 187.304 -10.261 5.448 1.00 0.00 C ATOM 1403 OH TYR A 687 187.716 -10.899 4.301 1.00 0.00 O ATOM 0 H TYR A 687 186.598 -5.944 8.427 1.00 0.00 H new ATOM 0 HA TYR A 687 184.341 -7.487 7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 687 186.913 -7.811 9.507 1.00 0.00 H new ATOM 0 HB3 TYR A 687 185.666 -9.019 9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 687 187.229 -7.198 6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 687 185.834 -10.909 8.402 1.00 0.00 H new ATOM 0 HE1 TYR A 687 187.951 -8.335 4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 687 186.568 -12.048 6.355 1.00 0.00 H new ATOM 0 HH TYR A 687 186.952 -11.352 3.887 1.00 0.00 H new ATOM 1413 N ASN A 688 184.545 -6.339 11.059 1.00 0.00 N ATOM 1414 CA ASN A 688 183.799 -6.164 12.300 1.00 0.00 C ATOM 1415 C ASN A 688 182.487 -5.427 12.049 1.00 0.00 C ATOM 1416 O ASN A 688 181.468 -5.727 12.670 1.00 0.00 O ATOM 1417 CB ASN A 688 184.639 -5.399 13.325 1.00 0.00 C ATOM 1418 CG ASN A 688 185.581 -6.306 14.092 1.00 0.00 C ATOM 1419 OD1 ASN A 688 185.553 -6.352 15.322 1.00 0.00 O ATOM 1420 ND2 ASN A 688 186.423 -7.035 13.368 1.00 0.00 N ATOM 0 H ASN A 688 185.427 -5.828 11.021 1.00 0.00 H new ATOM 0 HA ASN A 688 183.569 -7.153 12.696 1.00 0.00 H new ATOM 0 HB2 ASN A 688 185.216 -4.628 12.815 1.00 0.00 H new ATOM 0 HB3 ASN A 688 183.977 -4.890 14.026 1.00 0.00 H new ATOM 0 HD21 ASN A 688 187.080 -7.664 13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 688 186.412 -6.966 12.350 1.00 0.00 H new ATOM 1427 N ILE A 689 182.517 -4.464 11.134 1.00 0.00 N ATOM 1428 CA ILE A 689 181.326 -3.690 10.805 1.00 0.00 C ATOM 1429 C ILE A 689 180.290 -4.560 10.101 1.00 0.00 C ATOM 1430 O ILE A 689 179.195 -4.781 10.620 1.00 0.00 O ATOM 1431 CB ILE A 689 181.667 -2.478 9.911 1.00 0.00 C ATOM 1432 CG1 ILE A 689 182.565 -1.500 10.668 1.00 0.00 C ATOM 1433 CG2 ILE A 689 180.397 -1.777 9.443 1.00 0.00 C ATOM 1434 CD1 ILE A 689 184.039 -1.765 10.477 1.00 0.00 C ATOM 0 H ILE A 689 183.351 -4.201 10.608 1.00 0.00 H new ATOM 0 HA ILE A 689 180.913 -3.325 11.745 1.00 0.00 H new ATOM 0 HB ILE A 689 182.201 -2.839 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 689 182.341 -0.485 10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 689 182.329 -1.551 11.731 1.00 0.00 H new ATOM 0 HG21 ILE A 689 180.661 -0.926 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 689 179.786 -2.475 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 689 179.834 -1.428 10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 689 184.616 -1.034 11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 689 184.277 -2.768 10.831 1.00 0.00 H new ATOM 0 HD13 ILE A 689 184.289 -1.685 9.419 1.00 0.00 H new ATOM 1446 N ILE A 690 180.639 -5.049 8.914 1.00 0.00 N ATOM 1447 CA ILE A 690 179.735 -5.890 8.139 1.00 0.00 C ATOM 1448 C ILE A 690 179.176 -7.035 8.982 1.00 0.00 C ATOM 1449 O ILE A 690 177.963 -7.158 9.141 1.00 0.00 O ATOM 1450 CB ILE A 690 180.437 -6.447 6.881 1.00 0.00 C ATOM 1451 CG1 ILE A 690 180.567 -5.337 5.835 1.00 0.00 C ATOM 1452 CG2 ILE A 690 179.674 -7.635 6.303 1.00 0.00 C ATOM 1453 CD1 ILE A 690 181.990 -4.982 5.488 1.00 0.00 C ATOM 0 H ILE A 690 181.541 -4.877 8.469 1.00 0.00 H new ATOM 0 HA ILE A 690 178.901 -5.263 7.823 1.00 0.00 H new ATOM 0 HB ILE A 690 181.430 -6.797 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 690 180.049 -5.646 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 690 180.061 -4.445 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 690 180.193 -8.005 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 690 179.617 -8.428 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 690 178.667 -7.322 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 690 181.995 -4.188 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 690 182.509 -4.640 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 690 182.497 -5.860 5.088 1.00 0.00 H new ATOM 1465 N LEU A 691 180.061 -7.867 9.524 1.00 0.00 N ATOM 1466 CA LEU A 691 179.636 -8.994 10.354 1.00 0.00 C ATOM 1467 C LEU A 691 178.617 -8.552 11.396 1.00 0.00 C ATOM 1468 O LEU A 691 177.569 -9.173 11.567 1.00 0.00 O ATOM 1469 CB LEU A 691 180.844 -9.628 11.042 1.00 0.00 C ATOM 1470 CG LEU A 691 181.588 -10.677 10.213 1.00 0.00 C ATOM 1471 CD1 LEU A 691 181.559 -10.318 8.732 1.00 0.00 C ATOM 1472 CD2 LEU A 691 183.021 -10.819 10.700 1.00 0.00 C ATOM 0 H LEU A 691 181.071 -7.785 9.406 1.00 0.00 H new ATOM 0 HA LEU A 691 179.165 -9.733 9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 691 181.544 -8.838 11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 691 180.512 -10.091 11.971 1.00 0.00 H new ATOM 0 HG LEU A 691 181.082 -11.634 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 691 182.094 -11.078 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 691 180.525 -10.269 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 691 182.037 -9.350 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 691 183.537 -11.569 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 691 183.534 -9.862 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 691 183.021 -11.128 11.745 1.00 0.00 H new ATOM 1484 N GLU A 692 178.933 -7.470 12.085 1.00 0.00 N ATOM 1485 CA GLU A 692 178.045 -6.930 13.107 1.00 0.00 C ATOM 1486 C GLU A 692 176.753 -6.408 12.480 1.00 0.00 C ATOM 1487 O GLU A 692 175.721 -6.317 13.145 1.00 0.00 O ATOM 1488 CB GLU A 692 178.743 -5.806 13.872 1.00 0.00 C ATOM 1489 CG GLU A 692 179.662 -6.301 14.977 1.00 0.00 C ATOM 1490 CD GLU A 692 179.934 -5.240 16.026 1.00 0.00 C ATOM 1491 OE1 GLU A 692 179.024 -4.955 16.832 1.00 0.00 O ATOM 1492 OE2 GLU A 692 181.058 -4.695 16.041 1.00 0.00 O ATOM 0 H GLU A 692 179.798 -6.945 11.957 1.00 0.00 H new ATOM 0 HA GLU A 692 177.795 -7.732 13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 692 179.323 -5.206 13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 692 177.988 -5.150 14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 692 179.214 -7.173 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 692 180.606 -6.627 14.541 1.00 0.00 H new ATOM 1499 N SER A 693 176.823 -6.059 11.198 1.00 0.00 N ATOM 1500 CA SER A 693 175.665 -5.535 10.480 1.00 0.00 C ATOM 1501 C SER A 693 174.910 -6.636 9.735 1.00 0.00 C ATOM 1502 O SER A 693 173.761 -6.442 9.336 1.00 0.00 O ATOM 1503 CB SER A 693 176.104 -4.451 9.495 1.00 0.00 C ATOM 1504 OG SER A 693 176.938 -3.495 10.125 1.00 0.00 O ATOM 0 H SER A 693 177.670 -6.130 10.635 1.00 0.00 H new ATOM 0 HA SER A 693 174.987 -5.107 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 693 176.636 -4.908 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 693 175.226 -3.955 9.081 1.00 0.00 H new ATOM 0 HG SER A 693 177.855 -3.839 10.169 1.00 0.00 H new ATOM 1510 N LYS A 694 175.548 -7.789 9.546 1.00 0.00 N ATOM 1511 CA LYS A 694 174.906 -8.898 8.844 1.00 0.00 C ATOM 1512 C LYS A 694 173.752 -9.475 9.664 1.00 0.00 C ATOM 1513 O LYS A 694 172.935 -10.239 9.149 1.00 0.00 O ATOM 1514 CB LYS A 694 175.926 -9.996 8.517 1.00 0.00 C ATOM 1515 CG LYS A 694 176.396 -10.789 9.729 1.00 0.00 C ATOM 1516 CD LYS A 694 176.267 -12.289 9.509 1.00 0.00 C ATOM 1517 CE LYS A 694 177.563 -13.014 9.840 1.00 0.00 C ATOM 1518 NZ LYS A 694 177.946 -12.842 11.269 1.00 0.00 N ATOM 0 H LYS A 694 176.498 -7.979 9.865 1.00 0.00 H new ATOM 0 HA LYS A 694 174.500 -8.510 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 694 175.485 -10.683 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 694 176.792 -9.541 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 694 177.435 -10.542 9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 694 175.812 -10.498 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 694 175.461 -12.681 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 694 175.995 -12.484 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 694 177.452 -14.076 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 694 178.363 -12.638 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 178.687 -13.529 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 178.305 -11.877 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 177.114 -12.999 11.873 1.00 0.00 H new ATOM 1532 N SER A 695 173.688 -9.105 10.941 1.00 0.00 N ATOM 1533 CA SER A 695 172.632 -9.587 11.824 1.00 0.00 C ATOM 1534 C SER A 695 171.556 -8.522 12.037 1.00 0.00 C ATOM 1535 O SER A 695 170.459 -8.824 12.506 1.00 0.00 O ATOM 1536 CB SER A 695 173.221 -10.007 13.172 1.00 0.00 C ATOM 1537 OG SER A 695 172.232 -10.595 13.999 1.00 0.00 O ATOM 0 H SER A 695 174.355 -8.474 11.386 1.00 0.00 H new ATOM 0 HA SER A 695 172.167 -10.450 11.348 1.00 0.00 H new ATOM 0 HB2 SER A 695 174.034 -10.715 13.012 1.00 0.00 H new ATOM 0 HB3 SER A 695 173.648 -9.138 13.672 1.00 0.00 H new ATOM 0 HG SER A 695 171.353 -10.225 13.772 1.00 0.00 H new ATOM 1543 N GLU A 696 171.873 -7.276 11.691 1.00 0.00 N ATOM 1544 CA GLU A 696 170.926 -6.178 11.849 1.00 0.00 C ATOM 1545 C GLU A 696 169.762 -6.320 10.873 1.00 0.00 C ATOM 1546 O GLU A 696 169.915 -6.883 9.790 1.00 0.00 O ATOM 1547 CB GLU A 696 171.629 -4.836 11.633 1.00 0.00 C ATOM 1548 CG GLU A 696 172.548 -4.440 12.777 1.00 0.00 C ATOM 1549 CD GLU A 696 172.528 -2.949 13.052 1.00 0.00 C ATOM 1550 OE1 GLU A 696 171.421 -2.372 13.107 1.00 0.00 O ATOM 1551 OE2 GLU A 696 173.616 -2.360 13.214 1.00 0.00 O ATOM 0 H GLU A 696 172.775 -7.004 11.301 1.00 0.00 H new ATOM 0 HA GLU A 696 170.531 -6.213 12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 696 172.209 -4.883 10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 696 170.877 -4.059 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 696 172.251 -4.976 13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 696 173.567 -4.749 12.543 1.00 0.00 H new ATOM 1558 N PRO A 697 168.577 -5.809 11.247 1.00 0.00 N ATOM 1559 CA PRO A 697 167.384 -5.883 10.400 1.00 0.00 C ATOM 1560 C PRO A 697 167.447 -4.932 9.208 1.00 0.00 C ATOM 1561 O PRO A 697 166.630 -5.019 8.292 1.00 0.00 O ATOM 1562 CB PRO A 697 166.255 -5.475 11.348 1.00 0.00 C ATOM 1563 CG PRO A 697 166.910 -4.590 12.350 1.00 0.00 C ATOM 1564 CD PRO A 697 168.307 -5.121 12.525 1.00 0.00 C ATOM 0 HA PRO A 697 167.260 -6.873 9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 697 165.460 -4.952 10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 697 165.802 -6.345 11.823 1.00 0.00 H new ATOM 0 HG2 PRO A 697 166.926 -3.556 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 697 166.367 -4.602 13.295 1.00 0.00 H new ATOM 0 HD2 PRO A 697 169.022 -4.318 12.707 1.00 0.00 H new ATOM 0 HD3 PRO A 697 168.373 -5.805 13.371 1.00 0.00 H new ATOM 1572 N GLN A 698 168.417 -4.020 9.224 1.00 0.00 N ATOM 1573 CA GLN A 698 168.570 -3.056 8.140 1.00 0.00 C ATOM 1574 C GLN A 698 169.994 -2.512 8.087 1.00 0.00 C ATOM 1575 O GLN A 698 170.681 -2.441 9.107 1.00 0.00 O ATOM 1576 CB GLN A 698 167.574 -1.906 8.317 1.00 0.00 C ATOM 1577 CG GLN A 698 167.523 -0.949 7.136 1.00 0.00 C ATOM 1578 CD GLN A 698 167.139 0.460 7.546 1.00 0.00 C ATOM 1579 OE1 GLN A 698 167.682 1.008 8.507 1.00 0.00 O ATOM 1580 NE2 GLN A 698 166.202 1.054 6.818 1.00 0.00 N ATOM 0 H GLN A 698 169.105 -3.929 9.972 1.00 0.00 H new ATOM 0 HA GLN A 698 168.366 -3.566 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 698 166.579 -2.321 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 698 167.836 -1.346 9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 698 168.497 -0.929 6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 698 166.806 -1.319 6.403 1.00 0.00 H new ATOM 0 HE21 GLN A 698 165.780 0.562 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 698 165.904 2.003 7.046 1.00 0.00 H new ATOM 1589 N VAL A 699 170.431 -2.133 6.891 1.00 0.00 N ATOM 1590 CA VAL A 699 171.773 -1.598 6.697 1.00 0.00 C ATOM 1591 C VAL A 699 171.742 -0.293 5.905 1.00 0.00 C ATOM 1592 O VAL A 699 170.891 -0.095 5.038 1.00 0.00 O ATOM 1593 CB VAL A 699 172.676 -2.614 5.963 1.00 0.00 C ATOM 1594 CG1 VAL A 699 174.005 -1.984 5.563 1.00 0.00 C ATOM 1595 CG2 VAL A 699 172.903 -3.843 6.829 1.00 0.00 C ATOM 0 H VAL A 699 169.873 -2.187 6.039 1.00 0.00 H new ATOM 0 HA VAL A 699 172.183 -1.402 7.688 1.00 0.00 H new ATOM 0 HB VAL A 699 172.166 -2.921 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 699 174.618 -2.724 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 699 173.822 -1.139 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 699 174.527 -1.638 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 699 173.541 -4.549 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 699 173.386 -3.548 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 699 171.945 -4.314 7.050 1.00 0.00 H new ATOM 1605 N GLU A 700 172.694 0.583 6.204 1.00 0.00 N ATOM 1606 CA GLU A 700 172.811 1.864 5.521 1.00 0.00 C ATOM 1607 C GLU A 700 174.241 2.051 5.029 1.00 0.00 C ATOM 1608 O GLU A 700 175.161 2.222 5.829 1.00 0.00 O ATOM 1609 CB GLU A 700 172.421 3.009 6.459 1.00 0.00 C ATOM 1610 CG GLU A 700 172.558 4.386 5.829 1.00 0.00 C ATOM 1611 CD GLU A 700 172.341 5.508 6.827 1.00 0.00 C ATOM 1612 OE1 GLU A 700 172.929 5.446 7.927 1.00 0.00 O ATOM 1613 OE2 GLU A 700 171.584 6.448 6.508 1.00 0.00 O ATOM 0 H GLU A 700 173.402 0.426 6.922 1.00 0.00 H new ATOM 0 HA GLU A 700 172.133 1.874 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 700 171.390 2.868 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 700 173.044 2.964 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 700 173.550 4.483 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 700 171.838 4.483 5.016 1.00 0.00 H new ATOM 1620 N ILE A 701 174.432 1.993 3.715 1.00 0.00 N ATOM 1621 CA ILE A 701 175.765 2.134 3.142 1.00 0.00 C ATOM 1622 C ILE A 701 175.871 3.342 2.223 1.00 0.00 C ATOM 1623 O ILE A 701 174.984 3.604 1.410 1.00 0.00 O ATOM 1624 CB ILE A 701 176.186 0.869 2.363 1.00 0.00 C ATOM 1625 CG1 ILE A 701 174.969 0.208 1.705 1.00 0.00 C ATOM 1626 CG2 ILE A 701 176.894 -0.105 3.293 1.00 0.00 C ATOM 1627 CD1 ILE A 701 175.282 -1.111 1.031 1.00 0.00 C ATOM 0 H ILE A 701 173.688 1.851 3.032 1.00 0.00 H new ATOM 0 HA ILE A 701 176.440 2.278 3.986 1.00 0.00 H new ATOM 0 HB ILE A 701 176.878 1.159 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 701 174.201 0.046 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 701 174.550 0.892 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 701 177.187 -0.994 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 701 177.782 0.370 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 701 176.221 -0.390 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 701 174.373 -1.518 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 701 176.026 -0.953 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 701 175.672 -1.813 1.768 1.00 0.00 H new ATOM 1639 N ILE A 702 176.973 4.070 2.360 1.00 0.00 N ATOM 1640 CA ILE A 702 177.225 5.254 1.550 1.00 0.00 C ATOM 1641 C ILE A 702 178.444 5.043 0.660 1.00 0.00 C ATOM 1642 O ILE A 702 179.407 4.394 1.063 1.00 0.00 O ATOM 1643 CB ILE A 702 177.449 6.500 2.429 1.00 0.00 C ATOM 1644 CG1 ILE A 702 176.449 6.529 3.590 1.00 0.00 C ATOM 1645 CG2 ILE A 702 177.341 7.767 1.596 1.00 0.00 C ATOM 1646 CD1 ILE A 702 175.004 6.410 3.154 1.00 0.00 C ATOM 0 H ILE A 702 177.712 3.858 3.031 1.00 0.00 H new ATOM 0 HA ILE A 702 176.343 5.417 0.930 1.00 0.00 H new ATOM 0 HB ILE A 702 178.455 6.449 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 702 176.680 5.715 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 702 176.576 7.459 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 702 177.502 8.636 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 702 178.094 7.750 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 702 176.349 7.824 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 702 174.356 6.438 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 702 174.754 7.239 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 702 174.860 5.467 2.626 1.00 0.00 H new ATOM 1658 N VAL A 703 178.399 5.591 -0.550 1.00 0.00 N ATOM 1659 CA VAL A 703 179.508 5.447 -1.488 1.00 0.00 C ATOM 1660 C VAL A 703 179.952 6.794 -2.045 1.00 0.00 C ATOM 1661 O VAL A 703 179.381 7.835 -1.718 1.00 0.00 O ATOM 1662 CB VAL A 703 179.135 4.523 -2.661 1.00 0.00 C ATOM 1663 CG1 VAL A 703 179.106 3.074 -2.209 1.00 0.00 C ATOM 1664 CG2 VAL A 703 177.798 4.931 -3.260 1.00 0.00 C ATOM 0 H VAL A 703 177.612 6.136 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 703 180.331 5.004 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 703 179.897 4.623 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 703 178.840 2.435 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 703 180.089 2.790 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 703 178.367 2.955 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 703 177.552 4.266 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 703 177.022 4.864 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 703 177.860 5.956 -3.625 1.00 0.00 H new ATOM 1674 N SER A 704 180.978 6.762 -2.890 1.00 0.00 N ATOM 1675 CA SER A 704 181.507 7.976 -3.501 1.00 0.00 C ATOM 1676 C SER A 704 182.131 7.670 -4.859 1.00 0.00 C ATOM 1677 O SER A 704 183.043 6.851 -4.963 1.00 0.00 O ATOM 1678 CB SER A 704 182.546 8.623 -2.584 1.00 0.00 C ATOM 1679 OG SER A 704 183.800 7.970 -2.691 1.00 0.00 O ATOM 0 H SER A 704 181.460 5.907 -3.167 1.00 0.00 H new ATOM 0 HA SER A 704 180.680 8.671 -3.647 1.00 0.00 H new ATOM 0 HB2 SER A 704 182.658 9.676 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 704 182.199 8.583 -1.551 1.00 0.00 H new ATOM 0 HG SER A 704 183.796 7.380 -3.474 1.00 0.00 H new ATOM 1741 N GLY B 945 186.097 -9.757 0.590 1.00 0.00 N ATOM 1742 CA GLY B 945 186.276 -9.555 2.015 1.00 0.00 C ATOM 1743 C GLY B 945 185.120 -10.086 2.842 1.00 0.00 C ATOM 1744 O GLY B 945 185.310 -10.942 3.706 1.00 0.00 O ATOM 0 HA2 GLY B 945 187.197 -10.045 2.332 1.00 0.00 H new ATOM 0 HA3 GLY B 945 186.397 -8.490 2.212 1.00 0.00 H new ATOM 1748 N ILE B 946 183.921 -9.569 2.590 1.00 0.00 N ATOM 1749 CA ILE B 946 182.737 -9.991 3.335 1.00 0.00 C ATOM 1750 C ILE B 946 181.537 -10.190 2.418 1.00 0.00 C ATOM 1751 O ILE B 946 181.341 -9.441 1.462 1.00 0.00 O ATOM 1752 CB ILE B 946 182.344 -8.962 4.424 1.00 0.00 C ATOM 1753 CG1 ILE B 946 183.348 -7.809 4.478 1.00 0.00 C ATOM 1754 CG2 ILE B 946 182.241 -9.636 5.786 1.00 0.00 C ATOM 1755 CD1 ILE B 946 184.671 -8.185 5.100 1.00 0.00 C ATOM 0 H ILE B 946 183.743 -8.860 1.879 1.00 0.00 H new ATOM 0 HA ILE B 946 183.003 -10.938 3.805 1.00 0.00 H new ATOM 0 HB ILE B 946 181.368 -8.553 4.162 1.00 0.00 H new ATOM 0 HG12 ILE B 946 183.523 -7.444 3.466 1.00 0.00 H new ATOM 0 HG13 ILE B 946 182.912 -6.985 5.043 1.00 0.00 H new ATOM 0 HG21 ILE B 946 181.964 -8.897 6.538 1.00 0.00 H new ATOM 0 HG22 ILE B 946 181.482 -10.418 5.749 1.00 0.00 H new ATOM 0 HG23 ILE B 946 183.203 -10.077 6.048 1.00 0.00 H new ATOM 0 HD11 ILE B 946 185.331 -7.318 5.104 1.00 0.00 H new ATOM 0 HD12 ILE B 946 184.509 -8.522 6.124 1.00 0.00 H new ATOM 0 HD13 ILE B 946 185.130 -8.987 4.522 1.00 0.00 H new ATOM 1767 N TRP B 947 180.721 -11.185 2.741 1.00 0.00 N ATOM 1768 CA TRP B 947 179.518 -11.466 1.972 1.00 0.00 C ATOM 1769 C TRP B 947 178.388 -10.562 2.442 1.00 0.00 C ATOM 1770 O TRP B 947 178.034 -10.565 3.621 1.00 0.00 O ATOM 1771 CB TRP B 947 179.118 -12.936 2.121 1.00 0.00 C ATOM 1772 CG TRP B 947 179.373 -13.750 0.887 1.00 0.00 C ATOM 1773 CD1 TRP B 947 179.952 -14.985 0.828 1.00 0.00 C ATOM 1774 CD2 TRP B 947 179.059 -13.389 -0.465 1.00 0.00 C ATOM 1775 NE1 TRP B 947 180.016 -15.415 -0.476 1.00 0.00 N ATOM 1776 CE2 TRP B 947 179.474 -14.452 -1.288 1.00 0.00 C ATOM 1777 CE3 TRP B 947 178.466 -12.270 -1.060 1.00 0.00 C ATOM 1778 CZ2 TRP B 947 179.316 -14.429 -2.672 1.00 0.00 C ATOM 1779 CZ3 TRP B 947 178.309 -12.249 -2.433 1.00 0.00 C ATOM 1780 CH2 TRP B 947 178.732 -13.323 -3.226 1.00 0.00 C ATOM 0 H TRP B 947 180.872 -11.811 3.532 1.00 0.00 H new ATOM 0 HA TRP B 947 179.718 -11.271 0.918 1.00 0.00 H new ATOM 0 HB2 TRP B 947 179.668 -13.372 2.955 1.00 0.00 H new ATOM 0 HB3 TRP B 947 178.059 -12.993 2.373 1.00 0.00 H new ATOM 0 HD1 TRP B 947 180.308 -15.543 1.682 1.00 0.00 H new ATOM 0 HE1 TRP B 947 180.403 -16.305 -0.789 1.00 0.00 H new ATOM 0 HE3 TRP B 947 178.137 -11.437 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP B 947 179.643 -15.255 -3.286 1.00 0.00 H new ATOM 0 HZ3 TRP B 947 177.852 -11.390 -2.902 1.00 0.00 H new ATOM 0 HH2 TRP B 947 178.594 -13.277 -4.296 1.00 0.00 H new ATOM 1791 N ALA B 948 177.832 -9.781 1.524 1.00 0.00 N ATOM 1792 CA ALA B 948 176.748 -8.871 1.863 1.00 0.00 C ATOM 1793 C ALA B 948 175.843 -8.628 0.660 1.00 0.00 C ATOM 1794 O ALA B 948 175.336 -9.615 0.091 1.00 0.00 O ATOM 1795 CB ALA B 948 177.311 -7.557 2.385 1.00 0.00 C ATOM 1796 OXT ALA B 948 175.650 -7.451 0.293 1.00 0.00 O ATOM 0 H ALA B 948 178.113 -9.760 0.544 1.00 0.00 H new ATOM 0 HA ALA B 948 176.146 -9.330 2.647 1.00 0.00 H new ATOM 0 HB1 ALA B 948 176.491 -6.884 2.635 1.00 0.00 H new ATOM 0 HB2 ALA B 948 177.910 -7.746 3.276 1.00 0.00 H new ATOM 0 HB3 ALA B 948 177.935 -7.099 1.618 1.00 0.00 H new