USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 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 118 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 120 SER OG : rot -74:sc= 1.2 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 124 MET CE :methyl 142:sc= -0.864 (180deg=-3.36!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -43:sc= 0.298 USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 133 TYR OH : rot 70:sc= -5.27! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl -113:sc= -1.15 (180deg=-4.99!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -145:sc= 0.706 USER MOD Single : A 148 GLN : amide:sc= -1 K(o=-1,f=-0.095) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 151 SER OG : rot -90:sc= 0.91 USER MOD Single : A 154 MET CE :methyl 165:sc= -1.35 (180deg=-2!) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 HIS : no HE2:sc= -0.554 K(o=0.018,f=-5.3!) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.0455 USER MOD Single : A 185 ASN : amide:sc= -0.671 K(o=-0.67,f=-4.5!) USER MOD Single : A 186 MET CE :methyl -133:sc= -0.31 (180deg=-1.02) USER MOD Single : A 188 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 189 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.032 8.207 -8.113 1.00 0.27 N ATOM 468 CA THR A 118 4.106 9.174 -8.016 1.00 0.26 C ATOM 469 C THR A 118 3.820 10.136 -6.880 1.00 0.25 C ATOM 470 O THR A 118 3.044 11.080 -7.016 1.00 0.32 O ATOM 471 CB THR A 118 4.298 9.928 -9.344 1.00 0.30 C ATOM 472 OG1 THR A 118 4.860 9.060 -10.338 1.00 0.32 O ATOM 473 CG2 THR A 118 5.150 11.189 -9.202 1.00 0.32 C ATOM 0 HA THR A 118 5.037 8.646 -7.808 1.00 0.26 H new ATOM 0 HB THR A 118 3.307 10.253 -9.660 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.974 9.554 -11.177 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.247 11.674 -10.173 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.673 11.874 -8.501 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.139 10.920 -8.830 1.00 0.32 H new ATOM 481 N ILE A 119 4.429 9.857 -5.744 1.00 0.19 N ATOM 482 CA ILE A 119 4.148 10.571 -4.533 1.00 0.18 C ATOM 483 C ILE A 119 5.433 11.021 -3.861 1.00 0.19 C ATOM 484 O ILE A 119 6.515 10.543 -4.165 1.00 0.20 O ATOM 485 CB ILE A 119 3.464 9.656 -3.547 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.505 8.799 -2.914 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.449 8.791 -4.194 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.026 8.234 -1.660 1.00 0.17 C ATOM 0 H ILE A 119 5.133 9.126 -5.644 1.00 0.19 H new ATOM 0 HA ILE A 119 3.525 11.425 -4.799 1.00 0.18 H new ATOM 0 HB ILE A 119 2.946 10.269 -2.810 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.783 7.995 -3.596 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.404 9.388 -2.732 1.00 0.14 H new ATOM 0 HG21 ILE A 119 1.985 8.151 -3.444 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.686 9.413 -4.663 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.929 8.172 -4.952 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.806 7.613 -1.219 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.772 9.040 -0.971 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.141 7.626 -1.849 1.00 0.17 H new ATOM 500 N SER A 120 5.282 11.815 -2.846 1.00 0.21 N ATOM 501 CA SER A 120 6.418 12.450 -2.220 1.00 0.28 C ATOM 502 C SER A 120 6.513 12.055 -0.756 1.00 0.28 C ATOM 503 O SER A 120 5.667 11.304 -0.261 1.00 0.25 O ATOM 504 CB SER A 120 6.314 13.965 -2.371 1.00 0.36 C ATOM 505 OG SER A 120 5.017 14.414 -2.026 1.00 1.29 O ATOM 0 H SER A 120 4.381 12.044 -2.426 1.00 0.21 H new ATOM 0 HA SER A 120 7.329 12.113 -2.716 1.00 0.28 H new ATOM 0 HB2 SER A 120 7.054 14.451 -1.734 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.542 14.250 -3.398 1.00 0.36 H new ATOM 0 HG SER A 120 4.388 14.174 -2.738 1.00 1.29 H new ATOM 511 N LYS A 121 7.528 12.562 -0.074 1.00 0.35 N ATOM 512 CA LYS A 121 7.749 12.239 1.337 1.00 0.40 C ATOM 513 C LYS A 121 6.498 12.512 2.173 1.00 0.36 C ATOM 514 O LYS A 121 6.149 11.737 3.058 1.00 0.38 O ATOM 515 CB LYS A 121 8.927 13.040 1.892 1.00 0.50 C ATOM 516 CG LYS A 121 9.300 12.663 3.318 1.00 1.34 C ATOM 517 CD LYS A 121 10.413 13.546 3.853 1.00 1.71 C ATOM 518 CE LYS A 121 10.827 13.133 5.256 1.00 2.46 C ATOM 519 NZ LYS A 121 11.854 14.045 5.824 1.00 3.26 N ATOM 0 H LYS A 121 8.217 13.201 -0.471 1.00 0.35 H new ATOM 0 HA LYS A 121 7.978 11.175 1.399 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.793 12.891 1.247 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.682 14.102 1.858 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.424 12.751 3.960 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.615 11.620 3.349 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.274 13.491 3.187 1.00 1.71 H new ATOM 0 HD3 LYS A 121 10.083 14.585 3.861 1.00 1.71 H new ATOM 0 HE2 LYS A 121 9.951 13.124 5.905 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.218 12.116 5.234 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 12.108 13.728 6.781 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 12.700 14.034 5.219 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 11.473 15.012 5.869 1.00 3.26 H new ATOM 533 N ASN A 122 5.820 13.606 1.882 1.00 0.37 N ATOM 534 CA ASN A 122 4.615 13.958 2.607 1.00 0.37 C ATOM 535 C ASN A 122 3.434 13.235 2.071 1.00 0.30 C ATOM 536 O ASN A 122 2.454 13.054 2.787 1.00 0.29 O ATOM 537 CB ASN A 122 4.314 15.445 2.520 1.00 0.48 C ATOM 538 CG ASN A 122 5.100 16.274 3.520 1.00 1.22 C ATOM 539 OD1 ASN A 122 6.171 15.873 3.975 1.00 2.17 O ATOM 540 ND2 ASN A 122 4.580 17.441 3.863 1.00 1.64 N ATOM 0 H ASN A 122 6.083 14.265 1.149 1.00 0.37 H new ATOM 0 HA ASN A 122 4.798 13.677 3.644 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.537 15.796 1.512 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.248 15.604 2.684 1.00 0.48 H new ATOM 0 HD21 ASN A 122 5.069 18.042 4.526 1.00 1.64 H new ATOM 0 HD22 ASN A 122 3.690 17.740 3.465 1.00 1.64 H new ATOM 547 N GLU A 123 3.489 12.813 0.822 1.00 0.27 N ATOM 548 CA GLU A 123 2.331 12.223 0.275 1.00 0.25 C ATOM 549 C GLU A 123 2.087 10.909 0.936 1.00 0.21 C ATOM 550 O GLU A 123 0.980 10.483 1.173 1.00 0.26 O ATOM 551 CB GLU A 123 2.374 12.050 -1.217 1.00 0.27 C ATOM 552 CG GLU A 123 1.991 13.307 -1.961 1.00 0.30 C ATOM 553 CD GLU A 123 2.209 13.215 -3.448 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.285 13.636 -3.912 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.305 12.738 -4.159 1.00 0.50 O ATOM 0 H GLU A 123 4.299 12.873 0.205 1.00 0.27 H new ATOM 0 HA GLU A 123 1.511 12.914 0.468 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.378 11.748 -1.515 1.00 0.27 H new ATOM 0 HB3 GLU A 123 1.700 11.243 -1.505 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.941 13.528 -1.769 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.570 14.143 -1.568 1.00 0.30 H new ATOM 562 N MET A 124 3.135 10.274 1.267 1.00 0.19 N ATOM 563 CA MET A 124 3.003 9.038 1.962 1.00 0.20 C ATOM 564 C MET A 124 2.427 9.293 3.328 1.00 0.17 C ATOM 565 O MET A 124 1.608 8.524 3.814 1.00 0.16 O ATOM 566 CB MET A 124 4.325 8.279 2.024 1.00 0.27 C ATOM 567 CG MET A 124 5.389 8.872 2.944 1.00 1.21 C ATOM 568 SD MET A 124 5.169 8.412 4.676 1.00 2.28 S ATOM 569 CE MET A 124 6.642 9.120 5.405 1.00 3.06 C ATOM 0 H MET A 124 4.091 10.574 1.077 1.00 0.19 H new ATOM 0 HA MET A 124 2.316 8.394 1.413 1.00 0.20 H new ATOM 0 HB2 MET A 124 4.121 7.258 2.346 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.736 8.219 1.016 1.00 0.27 H new ATOM 0 HG2 MET A 124 6.373 8.543 2.610 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.370 9.958 2.858 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.401 9.533 6.385 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.402 8.346 5.514 1.00 3.06 H new ATOM 0 HE3 MET A 124 7.022 9.913 4.761 1.00 3.06 H new ATOM 579 N VAL A 125 2.785 10.432 3.886 1.00 0.20 N ATOM 580 CA VAL A 125 2.333 10.806 5.200 1.00 0.22 C ATOM 581 C VAL A 125 0.844 11.045 5.241 1.00 0.21 C ATOM 582 O VAL A 125 0.194 10.855 6.262 1.00 0.23 O ATOM 583 CB VAL A 125 3.076 12.046 5.708 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.170 12.906 6.574 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.312 11.607 6.463 1.00 0.32 C ATOM 0 H VAL A 125 3.394 11.117 3.440 1.00 0.20 H new ATOM 0 HA VAL A 125 2.556 9.966 5.858 1.00 0.22 H new ATOM 0 HB VAL A 125 3.380 12.660 4.860 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.721 13.780 6.922 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.308 13.230 5.990 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.830 12.326 7.432 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.846 12.484 6.828 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.020 10.983 7.308 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.961 11.037 5.798 1.00 0.32 H new ATOM 595 N LYS A 126 0.320 11.508 4.154 1.00 0.20 N ATOM 596 CA LYS A 126 -1.109 11.636 4.031 1.00 0.20 C ATOM 597 C LYS A 126 -1.722 10.345 3.561 1.00 0.16 C ATOM 598 O LYS A 126 -2.831 10.016 3.937 1.00 0.19 O ATOM 599 CB LYS A 126 -1.482 12.786 3.120 1.00 0.24 C ATOM 600 CG LYS A 126 -0.468 13.074 2.026 1.00 0.32 C ATOM 601 CD LYS A 126 -0.752 12.369 0.719 1.00 0.39 C ATOM 602 CE LYS A 126 -1.706 13.139 -0.148 1.00 0.59 C ATOM 603 NZ LYS A 126 -2.001 12.450 -1.431 1.00 1.51 N ATOM 0 H LYS A 126 0.852 11.805 3.336 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.512 11.859 5.019 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.445 12.570 2.658 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.612 13.684 3.724 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.438 14.149 1.847 1.00 0.32 H new ATOM 0 HG3 LYS A 126 0.522 12.781 2.377 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.183 12.217 0.180 1.00 0.39 H new ATOM 0 HD3 LYS A 126 -1.166 11.382 0.924 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -2.637 13.298 0.396 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.287 14.123 -0.357 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -2.664 13.025 -1.989 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.119 12.321 -1.966 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -2.427 11.522 -1.236 1.00 1.51 H new ATOM 617 N LEU A 127 -0.982 9.621 2.743 1.00 0.15 N ATOM 618 CA LEU A 127 -1.420 8.357 2.203 1.00 0.19 C ATOM 619 C LEU A 127 -1.739 7.330 3.207 1.00 0.20 C ATOM 620 O LEU A 127 -2.751 6.690 3.053 1.00 0.24 O ATOM 621 CB LEU A 127 -0.425 7.798 1.266 1.00 0.25 C ATOM 622 CG LEU A 127 -0.808 8.083 -0.162 1.00 0.32 C ATOM 623 CD1 LEU A 127 0.361 8.666 -0.937 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.378 6.840 -0.801 1.00 0.40 C ATOM 0 H LEU A 127 -0.051 9.901 2.434 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.349 8.602 1.688 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.556 8.224 1.475 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.343 6.722 1.416 1.00 0.25 H new ATOM 0 HG LEU A 127 -1.589 8.843 -0.180 1.00 0.32 H new ATOM 0 HD11 LEU A 127 0.055 8.862 -1.965 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.679 9.598 -0.469 1.00 0.37 H new ATOM 0 HD13 LEU A 127 1.189 7.957 -0.934 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -1.652 7.055 -1.834 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -0.632 6.046 -0.782 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.262 6.520 -0.250 1.00 0.40 H new ATOM 636 N LEU A 128 -0.914 7.106 4.207 1.00 0.18 N ATOM 637 CA LEU A 128 -1.303 6.099 5.150 1.00 0.24 C ATOM 638 C LEU A 128 -2.653 6.484 5.770 1.00 0.26 C ATOM 639 O LEU A 128 -3.546 5.657 5.919 1.00 0.32 O ATOM 640 CB LEU A 128 -0.229 5.755 6.219 1.00 0.28 C ATOM 641 CG LEU A 128 0.571 6.877 6.860 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.887 7.017 6.187 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.150 8.158 6.771 1.00 0.21 C ATOM 0 H LEU A 128 -0.026 7.577 4.378 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.409 5.166 4.597 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.728 5.210 7.020 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.481 5.068 5.760 1.00 0.28 H new ATOM 0 HG LEU A 128 0.716 6.623 7.910 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.451 7.824 6.655 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.444 6.084 6.279 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.734 7.246 5.132 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.445 8.943 7.237 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.322 8.407 5.724 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.107 8.073 7.286 1.00 0.21 H new ATOM 655 N GLU A 129 -2.824 7.771 6.012 1.00 0.23 N ATOM 656 CA GLU A 129 -4.053 8.306 6.550 1.00 0.28 C ATOM 657 C GLU A 129 -5.142 8.105 5.516 1.00 0.25 C ATOM 658 O GLU A 129 -6.310 7.864 5.820 1.00 0.31 O ATOM 659 CB GLU A 129 -3.890 9.803 6.782 1.00 0.32 C ATOM 660 CG GLU A 129 -2.579 10.177 7.433 1.00 0.44 C ATOM 661 CD GLU A 129 -2.476 11.661 7.721 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.890 12.474 6.865 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.982 12.028 8.809 1.00 2.23 O ATOM 0 H GLU A 129 -2.107 8.476 5.838 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.301 7.808 7.487 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.972 10.321 5.826 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.710 10.156 7.407 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.468 9.621 8.364 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.756 9.878 6.783 1.00 0.44 H new ATOM 670 N ALA A 130 -4.686 8.176 4.278 1.00 0.21 N ATOM 671 CA ALA A 130 -5.521 8.221 3.114 1.00 0.25 C ATOM 672 C ALA A 130 -5.841 6.819 2.620 1.00 0.28 C ATOM 673 O ALA A 130 -6.649 6.628 1.712 1.00 0.33 O ATOM 674 CB ALA A 130 -4.786 9.003 2.029 1.00 0.26 C ATOM 0 H ALA A 130 -3.690 8.204 4.059 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.464 8.708 3.361 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.404 9.050 1.132 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.583 10.014 2.383 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -3.845 8.505 1.795 1.00 0.26 H new ATOM 680 N THR A 131 -5.183 5.842 3.228 1.00 0.26 N ATOM 681 CA THR A 131 -5.275 4.469 2.800 1.00 0.29 C ATOM 682 C THR A 131 -5.773 3.615 3.956 1.00 0.29 C ATOM 683 O THR A 131 -5.912 2.394 3.853 1.00 0.33 O ATOM 684 CB THR A 131 -3.915 3.965 2.283 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.056 2.681 1.658 1.00 0.36 O ATOM 686 CG2 THR A 131 -2.931 3.873 3.422 1.00 0.28 C ATOM 0 H THR A 131 -4.572 5.988 4.032 1.00 0.26 H new ATOM 0 HA THR A 131 -5.984 4.396 1.975 1.00 0.29 H new ATOM 0 HB THR A 131 -3.544 4.674 1.543 1.00 0.30 H new ATOM 0 HG1 THR A 131 -4.645 2.116 2.200 1.00 0.36 H new ATOM 0 HG21 THR A 131 -1.972 3.516 3.046 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.801 4.858 3.871 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.308 3.179 4.173 1.00 0.28 H new ATOM 694 N GLN A 132 -6.027 4.310 5.057 1.00 0.25 N ATOM 695 CA GLN A 132 -6.464 3.718 6.313 1.00 0.25 C ATOM 696 C GLN A 132 -5.383 2.846 6.935 1.00 0.21 C ATOM 697 O GLN A 132 -5.582 1.664 7.215 1.00 0.23 O ATOM 698 CB GLN A 132 -7.760 2.933 6.156 1.00 0.32 C ATOM 699 CG GLN A 132 -8.941 3.781 5.718 1.00 0.41 C ATOM 700 CD GLN A 132 -10.237 2.999 5.671 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.432 2.044 6.424 1.00 2.19 O ATOM 702 NE2 GLN A 132 -11.137 3.406 4.795 1.00 2.15 N ATOM 0 H GLN A 132 -5.932 5.325 5.102 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.659 4.548 6.992 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.606 2.137 5.427 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.001 2.454 7.105 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.053 4.621 6.403 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.737 4.198 4.732 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.936 4.202 4.189 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -12.033 2.925 4.724 1.00 2.15 H new ATOM 711 N TYR A 133 -4.245 3.461 7.155 1.00 0.17 N ATOM 712 CA TYR A 133 -3.105 2.832 7.738 1.00 0.15 C ATOM 713 C TYR A 133 -2.348 3.899 8.485 1.00 0.15 C ATOM 714 O TYR A 133 -2.385 5.067 8.133 1.00 0.18 O ATOM 715 CB TYR A 133 -2.246 2.117 6.690 1.00 0.16 C ATOM 716 CG TYR A 133 -0.757 2.422 6.726 1.00 0.17 C ATOM 717 CD1 TYR A 133 0.024 2.271 7.879 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.118 2.843 5.576 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.352 2.529 7.865 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.226 3.102 5.565 1.00 0.25 C ATOM 721 CZ TYR A 133 1.957 2.937 6.714 1.00 0.19 C ATOM 722 OH TYR A 133 3.295 3.189 6.712 1.00 0.27 O ATOM 0 H TYR A 133 -4.092 4.442 6.923 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.410 2.044 8.427 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.379 1.042 6.812 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.625 2.375 5.701 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.443 1.943 8.796 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.690 2.970 4.669 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.934 2.411 8.767 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.708 3.434 4.657 1.00 0.25 H new ATOM 0 HH TYR A 133 3.787 2.347 6.807 1.00 0.27 H new ATOM 732 N ARG A 134 -1.728 3.525 9.554 1.00 0.15 N ATOM 733 CA ARG A 134 -1.106 4.477 10.412 1.00 0.18 C ATOM 734 C ARG A 134 0.147 3.850 10.974 1.00 0.19 C ATOM 735 O ARG A 134 0.224 2.626 11.024 1.00 0.18 O ATOM 736 CB ARG A 134 -2.095 4.827 11.509 1.00 0.18 C ATOM 737 CG ARG A 134 -3.540 4.875 11.021 1.00 0.22 C ATOM 738 CD ARG A 134 -4.149 3.485 10.911 1.00 0.25 C ATOM 739 NE ARG A 134 -4.781 3.035 12.149 1.00 0.28 N ATOM 740 CZ ARG A 134 -5.497 1.913 12.265 1.00 0.44 C ATOM 741 NH1 ARG A 134 -5.714 1.136 11.209 1.00 0.69 N ATOM 742 NH2 ARG A 134 -6.007 1.576 13.442 1.00 0.49 N ATOM 0 H ARG A 134 -1.638 2.555 9.857 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.830 5.390 9.885 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -2.013 4.093 12.311 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.829 5.795 11.934 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -4.135 5.479 11.707 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.579 5.366 10.049 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.889 3.482 10.111 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.371 2.776 10.629 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.668 3.616 12.980 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -5.333 1.394 10.299 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -6.262 0.282 11.309 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.852 2.173 14.255 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -6.554 0.720 13.535 1.00 0.49 H new ATOM 756 N GLN A 135 1.128 4.662 11.360 1.00 0.22 N ATOM 757 CA GLN A 135 2.389 4.141 11.854 1.00 0.25 C ATOM 758 C GLN A 135 2.199 3.065 12.870 1.00 0.24 C ATOM 759 O GLN A 135 1.289 3.109 13.700 1.00 0.30 O ATOM 760 CB GLN A 135 3.245 5.228 12.475 1.00 0.35 C ATOM 761 CG GLN A 135 4.528 4.694 13.089 1.00 0.88 C ATOM 762 CD GLN A 135 5.672 5.686 13.030 1.00 1.36 C ATOM 763 OE1 GLN A 135 5.461 6.896 13.055 1.00 1.87 O ATOM 764 NE2 GLN A 135 6.892 5.183 12.948 1.00 1.96 N ATOM 0 H GLN A 135 1.069 5.680 11.338 1.00 0.22 H new ATOM 0 HA GLN A 135 2.892 3.728 10.980 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.493 5.967 11.713 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.668 5.743 13.243 1.00 0.35 H new ATOM 0 HG2 GLN A 135 4.342 4.425 14.129 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.820 3.781 12.570 1.00 0.88 H new ATOM 0 HE21 GLN A 135 7.027 4.172 12.930 1.00 1.96 H new ATOM 0 HE22 GLN A 135 7.698 5.806 12.903 1.00 1.96 H new ATOM 773 N VAL A 136 3.096 2.117 12.817 1.00 0.23 N ATOM 774 CA VAL A 136 2.941 0.955 13.593 1.00 0.24 C ATOM 775 C VAL A 136 4.241 0.540 14.268 1.00 0.27 C ATOM 776 O VAL A 136 5.334 0.824 13.777 1.00 0.27 O ATOM 777 CB VAL A 136 2.378 -0.175 12.700 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.747 -1.554 13.182 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.882 -0.054 12.570 1.00 0.20 C ATOM 0 H VAL A 136 3.936 2.143 12.239 1.00 0.23 H new ATOM 0 HA VAL A 136 2.237 1.163 14.398 1.00 0.24 H new ATOM 0 HB VAL A 136 2.841 -0.049 11.721 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.321 -2.300 12.511 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.832 -1.656 13.196 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.355 -1.705 14.188 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.505 -0.858 11.938 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.424 -0.123 13.557 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.632 0.907 12.121 1.00 0.20 H new ATOM 789 N SER A 137 4.092 -0.102 15.414 1.00 0.31 N ATOM 790 CA SER A 137 5.196 -0.707 16.133 1.00 0.35 C ATOM 791 C SER A 137 5.887 -1.759 15.304 1.00 0.33 C ATOM 792 O SER A 137 7.108 -1.758 15.142 1.00 0.35 O ATOM 793 CB SER A 137 4.618 -1.381 17.350 1.00 0.39 C ATOM 794 OG SER A 137 4.313 -0.446 18.370 1.00 0.73 O ATOM 0 H SER A 137 3.190 -0.218 15.875 1.00 0.31 H new ATOM 0 HA SER A 137 5.924 0.064 16.385 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.715 -1.924 17.071 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.327 -2.116 17.730 1.00 0.39 H new ATOM 0 HG SER A 137 3.939 -0.917 19.144 1.00 0.73 H new ATOM 800 N LYS A 138 5.081 -2.635 14.770 1.00 0.30 N ATOM 801 CA LYS A 138 5.552 -3.726 13.974 1.00 0.30 C ATOM 802 C LYS A 138 4.443 -4.185 13.078 1.00 0.27 C ATOM 803 O LYS A 138 3.376 -4.624 13.517 1.00 0.28 O ATOM 804 CB LYS A 138 6.022 -4.839 14.854 1.00 0.35 C ATOM 805 CG LYS A 138 4.976 -5.257 15.831 1.00 0.37 C ATOM 806 CD LYS A 138 5.368 -6.531 16.555 1.00 0.43 C ATOM 807 CE LYS A 138 5.658 -7.644 15.557 1.00 0.44 C ATOM 808 NZ LYS A 138 5.991 -8.928 16.222 1.00 0.51 N ATOM 0 H LYS A 138 4.067 -2.608 14.879 1.00 0.30 H new ATOM 0 HA LYS A 138 6.395 -3.404 13.363 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.306 -5.693 14.239 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.916 -4.523 15.392 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.815 -4.460 16.557 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.031 -5.409 15.310 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.248 -6.350 17.172 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.565 -6.836 17.226 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.790 -7.786 14.913 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.486 -7.345 14.914 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.180 -9.653 15.501 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.835 -8.802 16.817 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.192 -9.229 16.815 1.00 0.51 H new ATOM 822 N MET A 139 4.685 -4.027 11.826 1.00 0.25 N ATOM 823 CA MET A 139 3.662 -4.161 10.850 1.00 0.25 C ATOM 824 C MET A 139 3.398 -5.614 10.533 1.00 0.26 C ATOM 825 O MET A 139 4.168 -6.303 9.868 1.00 0.30 O ATOM 826 CB MET A 139 4.065 -3.374 9.617 1.00 0.33 C ATOM 827 CG MET A 139 5.204 -3.989 8.839 1.00 0.70 C ATOM 828 SD MET A 139 6.735 -4.057 9.806 1.00 2.16 S ATOM 829 CE MET A 139 7.303 -5.717 9.453 1.00 2.71 C ATOM 0 H MET A 139 5.604 -3.800 11.447 1.00 0.25 H new ATOM 0 HA MET A 139 2.726 -3.758 11.237 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.200 -3.279 8.961 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.348 -2.366 9.919 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.927 -4.997 8.528 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.375 -3.411 7.931 1.00 0.70 H new ATOM 0 HE1 MET A 139 7.254 -6.319 10.360 1.00 2.71 H new ATOM 0 HE2 MET A 139 6.669 -6.163 8.687 1.00 2.71 H new ATOM 0 HE3 MET A 139 8.332 -5.681 9.097 1.00 2.71 H new ATOM 839 N THR A 140 2.328 -6.097 11.085 1.00 0.25 N ATOM 840 CA THR A 140 1.747 -7.303 10.587 1.00 0.26 C ATOM 841 C THR A 140 0.292 -7.359 10.975 1.00 0.27 C ATOM 842 O THR A 140 -0.082 -7.888 12.022 1.00 0.30 O ATOM 843 CB THR A 140 2.515 -8.497 11.172 1.00 0.31 C ATOM 844 OG1 THR A 140 1.857 -9.736 10.879 1.00 0.35 O ATOM 845 CG2 THR A 140 2.702 -8.331 12.678 1.00 0.34 C ATOM 0 H THR A 140 1.842 -5.676 11.877 1.00 0.25 H new ATOM 0 HA THR A 140 1.812 -7.336 9.499 1.00 0.26 H new ATOM 0 HB THR A 140 3.498 -8.523 10.701 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.370 -10.478 11.263 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.248 -9.187 13.073 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.264 -7.419 12.876 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.727 -8.268 13.161 1.00 0.34 H new ATOM 853 N ARG A 141 -0.521 -6.865 10.067 1.00 0.25 N ATOM 854 CA ARG A 141 -1.958 -6.993 10.107 1.00 0.28 C ATOM 855 C ARG A 141 -2.459 -6.907 8.694 1.00 0.30 C ATOM 856 O ARG A 141 -1.766 -6.355 7.852 1.00 0.45 O ATOM 857 CB ARG A 141 -2.564 -5.874 10.950 1.00 0.30 C ATOM 858 CG ARG A 141 -1.942 -5.824 12.309 1.00 0.38 C ATOM 859 CD ARG A 141 -1.077 -4.606 12.481 1.00 1.01 C ATOM 860 NE ARG A 141 -1.805 -3.506 13.105 1.00 1.20 N ATOM 861 CZ ARG A 141 -1.288 -2.671 14.004 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.067 -2.880 14.489 1.00 2.38 N ATOM 863 NH2 ARG A 141 -2.008 -1.643 14.438 1.00 1.97 N ATOM 0 H ARG A 141 -0.187 -6.346 9.255 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.245 -7.943 10.557 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.422 -4.918 10.447 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.639 -6.028 11.044 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -2.725 -5.824 13.068 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.343 -6.721 12.468 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -0.210 -4.860 13.091 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.701 -4.287 11.509 1.00 1.01 H new ATOM 0 HE ARG A 141 -2.778 -3.367 12.833 1.00 1.20 H new ATOM 0 HH11 ARG A 141 0.477 -3.683 14.172 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.325 -2.238 15.178 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -2.953 -1.496 14.083 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -1.616 -1.001 15.127 1.00 1.97 H new ATOM 877 N PRO A 142 -3.642 -7.398 8.373 1.00 0.36 N ATOM 878 CA PRO A 142 -4.204 -7.060 7.090 1.00 0.39 C ATOM 879 C PRO A 142 -4.731 -5.630 7.124 1.00 0.32 C ATOM 880 O PRO A 142 -5.730 -5.338 7.782 1.00 0.37 O ATOM 881 CB PRO A 142 -5.341 -8.063 6.920 1.00 0.53 C ATOM 882 CG PRO A 142 -5.724 -8.465 8.310 1.00 0.79 C ATOM 883 CD PRO A 142 -4.492 -8.297 9.167 1.00 0.55 C ATOM 0 HA PRO A 142 -3.487 -7.107 6.270 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.184 -7.616 6.393 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.021 -8.925 6.335 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.540 -7.845 8.681 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.072 -9.498 8.332 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.734 -7.866 10.138 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.001 -9.252 9.355 1.00 0.55 H new ATOM 891 N GLY A 143 -4.052 -4.744 6.417 1.00 0.27 N ATOM 892 CA GLY A 143 -4.544 -3.384 6.270 1.00 0.27 C ATOM 893 C GLY A 143 -3.908 -2.375 7.225 1.00 0.26 C ATOM 894 O GLY A 143 -4.282 -1.200 7.213 1.00 0.38 O ATOM 0 H GLY A 143 -3.170 -4.937 5.941 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.369 -3.056 5.245 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.623 -3.382 6.425 1.00 0.27 H new ATOM 898 N GLU A 144 -2.943 -2.802 8.043 1.00 0.17 N ATOM 899 CA GLU A 144 -2.246 -1.874 8.937 1.00 0.14 C ATOM 900 C GLU A 144 -0.765 -2.050 8.751 1.00 0.11 C ATOM 901 O GLU A 144 -0.264 -3.175 8.767 1.00 0.12 O ATOM 902 CB GLU A 144 -2.613 -2.118 10.391 1.00 0.18 C ATOM 903 CG GLU A 144 -4.092 -1.968 10.693 1.00 0.40 C ATOM 904 CD GLU A 144 -4.391 -2.210 12.151 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.401 -1.234 12.926 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.663 -3.365 12.526 1.00 1.44 O ATOM 0 H GLU A 144 -2.630 -3.771 8.105 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.545 -0.856 8.688 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.297 -3.123 10.670 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.054 -1.423 11.017 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.420 -0.966 10.416 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.661 -2.670 10.083 1.00 0.40 H new ATOM 913 N PHE A 145 -0.054 -0.951 8.597 1.00 0.10 N ATOM 914 CA PHE A 145 1.313 -1.030 8.123 1.00 0.10 C ATOM 915 C PHE A 145 2.217 -0.169 8.984 1.00 0.09 C ATOM 916 O PHE A 145 1.745 0.523 9.872 1.00 0.10 O ATOM 917 CB PHE A 145 1.428 -0.585 6.655 1.00 0.16 C ATOM 918 CG PHE A 145 0.289 -0.949 5.714 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.368 -2.160 5.853 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.141 -0.091 4.722 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.418 -2.507 5.024 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.189 -0.430 3.885 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.767 -1.590 3.945 1.00 0.27 C ATOM 0 H PHE A 145 -0.392 -0.008 8.789 1.00 0.10 H new ATOM 0 HA PHE A 145 1.625 -2.072 8.191 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.541 0.499 6.641 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.347 -1.007 6.248 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.054 -2.847 6.625 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.350 0.863 4.597 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.963 -3.428 5.171 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.536 0.292 3.161 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.499 -1.874 3.203 1.00 0.27 H new ATOM 933 N THR A 146 3.512 -0.198 8.721 1.00 0.09 N ATOM 934 CA THR A 146 4.439 0.599 9.493 1.00 0.12 C ATOM 935 C THR A 146 5.012 1.732 8.678 1.00 0.12 C ATOM 936 O THR A 146 5.293 1.595 7.486 1.00 0.15 O ATOM 937 CB THR A 146 5.600 -0.230 10.035 1.00 0.15 C ATOM 938 OG1 THR A 146 6.114 -1.087 9.014 1.00 0.16 O ATOM 939 CG2 THR A 146 5.191 -1.030 11.244 1.00 0.19 C ATOM 0 H THR A 146 3.939 -0.760 7.985 1.00 0.09 H new ATOM 0 HA THR A 146 3.860 0.997 10.326 1.00 0.12 H new ATOM 0 HB THR A 146 6.386 0.457 10.347 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.402 -1.935 9.413 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.043 -1.608 11.603 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.854 -0.355 12.030 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.380 -1.707 10.975 1.00 0.19 H new ATOM 947 N VAL A 147 5.174 2.845 9.346 1.00 0.14 N ATOM 948 CA VAL A 147 5.683 4.055 8.734 1.00 0.15 C ATOM 949 C VAL A 147 7.162 4.272 9.056 1.00 0.23 C ATOM 950 O VAL A 147 7.595 4.043 10.184 1.00 0.29 O ATOM 951 CB VAL A 147 4.855 5.252 9.222 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.530 6.571 8.878 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.476 5.200 8.618 1.00 0.73 C ATOM 0 H VAL A 147 4.956 2.942 10.338 1.00 0.14 H new ATOM 0 HA VAL A 147 5.596 3.957 7.652 1.00 0.15 H new ATOM 0 HB VAL A 147 4.777 5.191 10.308 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.917 7.398 9.238 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.510 6.613 9.352 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.646 6.649 7.797 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.893 6.052 8.968 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.553 5.235 7.531 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.982 4.275 8.917 1.00 0.73 H new ATOM 963 N GLN A 148 7.931 4.704 8.056 1.00 0.37 N ATOM 964 CA GLN A 148 9.340 5.026 8.259 1.00 0.51 C ATOM 965 C GLN A 148 9.643 6.459 7.796 1.00 0.58 C ATOM 966 O GLN A 148 9.557 7.396 8.593 1.00 1.16 O ATOM 967 CB GLN A 148 10.240 4.014 7.532 1.00 0.57 C ATOM 968 CG GLN A 148 11.726 4.207 7.793 1.00 1.20 C ATOM 969 CD GLN A 148 12.110 3.969 9.241 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.031 4.596 9.760 1.00 2.45 O ATOM 971 NE2 GLN A 148 11.425 3.046 9.898 1.00 2.15 N ATOM 0 H GLN A 148 7.601 4.838 7.100 1.00 0.37 H new ATOM 0 HA GLN A 148 9.553 4.963 9.326 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.956 3.007 7.837 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.058 4.086 6.460 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.292 3.527 7.156 1.00 1.20 H new ATOM 0 HG3 GLN A 148 12.010 5.220 7.509 1.00 1.20 H new ATOM 0 HE21 GLN A 148 10.667 2.546 9.433 1.00 2.15 H new ATOM 0 HE22 GLN A 148 11.655 2.835 10.869 1.00 2.15 H new ATOM 980 N ALA A 149 9.965 6.637 6.509 1.00 0.40 N ATOM 981 CA ALA A 149 10.311 7.963 5.981 1.00 0.39 C ATOM 982 C ALA A 149 10.289 7.987 4.449 1.00 0.31 C ATOM 983 O ALA A 149 9.286 8.358 3.847 1.00 0.37 O ATOM 984 CB ALA A 149 11.672 8.407 6.497 1.00 0.49 C ATOM 0 H ALA A 149 9.993 5.887 5.819 1.00 0.40 H new ATOM 0 HA ALA A 149 9.554 8.663 6.335 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.910 9.392 6.095 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.650 8.456 7.586 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.432 7.692 6.181 1.00 0.49 H new ATOM 990 N ASN A 150 11.392 7.581 3.820 1.00 0.26 N ATOM 991 CA ASN A 150 11.451 7.487 2.354 1.00 0.24 C ATOM 992 C ASN A 150 10.828 6.205 1.912 1.00 0.19 C ATOM 993 O ASN A 150 10.736 5.920 0.726 1.00 0.20 O ATOM 994 CB ASN A 150 12.868 7.459 1.829 1.00 0.28 C ATOM 995 CG ASN A 150 13.656 8.726 2.098 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.099 9.821 2.182 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.966 8.587 2.222 1.00 1.00 N ATOM 0 H ASN A 150 12.254 7.313 4.295 1.00 0.26 H new ATOM 0 HA ASN A 150 10.932 8.366 1.972 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.393 6.616 2.278 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.842 7.282 0.754 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.552 9.404 2.394 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.390 7.663 2.146 1.00 1.00 H new ATOM 1004 N SER A 151 10.464 5.397 2.865 1.00 0.17 N ATOM 1005 CA SER A 151 9.759 4.198 2.559 1.00 0.20 C ATOM 1006 C SER A 151 8.783 3.867 3.678 1.00 0.20 C ATOM 1007 O SER A 151 9.039 4.151 4.847 1.00 0.27 O ATOM 1008 CB SER A 151 10.737 3.039 2.331 1.00 0.27 C ATOM 1009 OG SER A 151 11.648 2.909 3.412 1.00 0.94 O ATOM 0 H SER A 151 10.646 5.551 3.857 1.00 0.17 H new ATOM 0 HA SER A 151 9.195 4.349 1.639 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.180 2.110 2.209 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.289 3.204 1.406 1.00 0.27 H new ATOM 0 HG SER A 151 12.443 3.454 3.237 1.00 0.94 H new ATOM 1015 N ILE A 152 7.653 3.327 3.296 1.00 0.18 N ATOM 1016 CA ILE A 152 6.695 2.764 4.213 1.00 0.17 C ATOM 1017 C ILE A 152 6.774 1.252 4.073 1.00 0.17 C ATOM 1018 O ILE A 152 7.453 0.747 3.181 1.00 0.19 O ATOM 1019 CB ILE A 152 5.282 3.291 3.875 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.060 4.633 4.574 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.179 2.309 4.238 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.718 5.228 4.287 1.00 0.20 C ATOM 0 H ILE A 152 7.368 3.265 2.319 1.00 0.18 H new ATOM 0 HA ILE A 152 6.910 3.050 5.243 1.00 0.17 H new ATOM 0 HB ILE A 152 5.230 3.420 2.794 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.168 4.498 5.650 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.835 5.332 4.261 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.211 2.736 3.977 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.325 1.379 3.689 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.209 2.107 5.309 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.622 6.179 4.811 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.615 5.393 3.215 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.938 4.546 4.626 1.00 0.20 H new ATOM 1034 N GLU A 153 6.128 0.521 4.934 1.00 0.16 N ATOM 1035 CA GLU A 153 5.942 -0.876 4.673 1.00 0.14 C ATOM 1036 C GLU A 153 4.466 -1.106 4.551 1.00 0.23 C ATOM 1037 O GLU A 153 3.725 -0.542 5.324 1.00 0.56 O ATOM 1038 CB GLU A 153 6.478 -1.758 5.773 1.00 0.18 C ATOM 1039 CG GLU A 153 6.685 -3.161 5.257 1.00 0.27 C ATOM 1040 CD GLU A 153 7.383 -4.073 6.226 1.00 0.50 C ATOM 1041 OE1 GLU A 153 6.782 -5.078 6.662 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.529 -3.768 6.580 1.00 0.72 O ATOM 0 H GLU A 153 5.727 0.861 5.808 1.00 0.16 H new ATOM 0 HA GLU A 153 6.488 -1.134 3.766 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.420 -1.356 6.145 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.783 -1.770 6.612 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.716 -3.590 5.004 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.264 -3.116 4.335 1.00 0.27 H new ATOM 1049 N MET A 154 4.026 -1.888 3.592 1.00 0.13 N ATOM 1050 CA MET A 154 2.598 -2.122 3.453 1.00 0.13 C ATOM 1051 C MET A 154 2.270 -3.597 3.261 1.00 0.15 C ATOM 1052 O MET A 154 2.802 -4.264 2.378 1.00 0.18 O ATOM 1053 CB MET A 154 2.030 -1.273 2.306 1.00 0.19 C ATOM 1054 CG MET A 154 2.197 -1.884 0.927 1.00 0.94 C ATOM 1055 SD MET A 154 0.658 -2.611 0.325 1.00 0.73 S ATOM 1056 CE MET A 154 1.175 -3.273 -1.252 1.00 1.32 C ATOM 0 H MET A 154 4.615 -2.365 2.909 1.00 0.13 H new ATOM 0 HA MET A 154 2.122 -1.817 4.385 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.969 -1.103 2.488 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.516 -0.297 2.318 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.535 -1.118 0.229 1.00 0.94 H new ATOM 0 HG3 MET A 154 2.972 -2.650 0.960 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.423 -3.972 -1.618 1.00 1.32 H new ATOM 0 HE2 MET A 154 1.292 -2.459 -1.967 1.00 1.32 H new ATOM 0 HE3 MET A 154 2.126 -3.793 -1.134 1.00 1.32 H new ATOM 1066 N ILE A 155 1.408 -4.111 4.127 1.00 0.16 N ATOM 1067 CA ILE A 155 0.904 -5.457 3.989 1.00 0.19 C ATOM 1068 C ILE A 155 0.088 -5.580 2.703 1.00 0.27 C ATOM 1069 O ILE A 155 -0.798 -4.766 2.437 1.00 0.33 O ATOM 1070 CB ILE A 155 0.029 -5.873 5.186 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.487 -5.153 6.469 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.103 -7.386 5.357 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.314 -5.985 7.411 1.00 0.24 C ATOM 0 H ILE A 155 1.045 -3.607 4.936 1.00 0.16 H new ATOM 0 HA ILE A 155 1.766 -6.123 3.953 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.005 -5.584 4.996 1.00 0.23 H new ATOM 0 HG12 ILE A 155 1.064 -4.272 6.186 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.395 -4.799 7.002 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.515 -7.687 6.203 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.260 -7.873 4.452 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.136 -7.682 5.539 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.585 -5.388 8.281 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.738 -6.853 7.732 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.219 -6.318 6.903 1.00 0.24 H new ATOM 1297 N VAL A 169 0.370 -11.240 3.872 1.00 0.38 N ATOM 1298 CA VAL A 169 1.662 -11.007 3.255 1.00 0.32 C ATOM 1299 C VAL A 169 1.943 -9.542 3.289 1.00 0.26 C ATOM 1300 O VAL A 169 1.036 -8.754 3.128 1.00 0.29 O ATOM 1301 CB VAL A 169 1.703 -11.381 1.780 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.050 -10.961 1.218 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.429 -12.856 1.582 1.00 0.48 C ATOM 0 HA VAL A 169 2.377 -11.617 3.807 1.00 0.32 H new ATOM 0 HB VAL A 169 0.916 -10.857 1.238 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.100 -11.220 0.161 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.173 -9.884 1.334 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.845 -11.477 1.756 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.465 -13.093 0.519 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.183 -13.440 2.110 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.442 -13.099 1.975 1.00 0.48 H new ATOM 1313 N ARG A 170 3.187 -9.174 3.423 1.00 0.23 N ATOM 1314 CA ARG A 170 3.526 -7.783 3.448 1.00 0.20 C ATOM 1315 C ARG A 170 4.635 -7.426 2.499 1.00 0.19 C ATOM 1316 O ARG A 170 5.549 -8.207 2.231 1.00 0.25 O ATOM 1317 CB ARG A 170 3.820 -7.361 4.858 1.00 0.26 C ATOM 1318 CG ARG A 170 4.632 -8.385 5.606 1.00 0.23 C ATOM 1319 CD ARG A 170 6.084 -8.422 5.176 1.00 0.39 C ATOM 1320 NE ARG A 170 6.940 -7.515 5.925 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.186 -7.804 6.296 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.679 -9.027 6.125 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.935 -6.865 6.856 1.00 1.61 N ATOM 0 H ARG A 170 3.976 -9.814 3.516 1.00 0.23 H new ATOM 0 HA ARG A 170 2.663 -7.223 3.088 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.358 -6.413 4.846 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.882 -7.189 5.386 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.581 -8.171 6.674 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.190 -9.370 5.457 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.461 -9.439 5.288 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.146 -8.174 4.116 1.00 0.39 H new ATOM 0 HE ARG A 170 6.563 -6.603 6.182 1.00 0.93 H new ATOM 0 HH11 ARG A 170 8.101 -9.756 5.706 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.635 -9.236 6.413 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.556 -5.929 7.000 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.890 -7.078 7.143 1.00 1.61 H new ATOM 1337 N ALA A 171 4.495 -6.244 1.967 1.00 0.17 N ATOM 1338 CA ALA A 171 5.444 -5.691 1.043 1.00 0.16 C ATOM 1339 C ALA A 171 6.094 -4.464 1.647 1.00 0.16 C ATOM 1340 O ALA A 171 5.579 -3.898 2.601 1.00 0.20 O ATOM 1341 CB ALA A 171 4.744 -5.324 -0.252 1.00 0.16 C ATOM 0 H ALA A 171 3.706 -5.629 2.166 1.00 0.17 H new ATOM 0 HA ALA A 171 6.215 -6.432 0.833 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.468 -4.905 -0.951 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.294 -6.216 -0.688 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.967 -4.587 -0.049 1.00 0.16 H new ATOM 1347 N ARG A 172 7.206 -4.038 1.085 1.00 0.16 N ATOM 1348 CA ARG A 172 7.839 -2.830 1.548 1.00 0.18 C ATOM 1349 C ARG A 172 7.719 -1.805 0.470 1.00 0.18 C ATOM 1350 O ARG A 172 8.078 -2.038 -0.681 1.00 0.22 O ATOM 1351 CB ARG A 172 9.297 -3.002 1.956 1.00 0.24 C ATOM 1352 CG ARG A 172 9.931 -1.678 2.358 1.00 0.79 C ATOM 1353 CD ARG A 172 11.368 -1.820 2.823 1.00 1.08 C ATOM 1354 NE ARG A 172 11.916 -0.521 3.216 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.088 -0.350 3.822 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.862 -1.393 4.092 1.00 2.48 N ATOM 1357 NH2 ARG A 172 13.483 0.873 4.153 1.00 3.69 N ATOM 0 H ARG A 172 7.683 -4.507 0.315 1.00 0.16 H new ATOM 0 HA ARG A 172 7.326 -2.519 2.458 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.361 -3.703 2.788 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.857 -3.437 1.128 1.00 0.24 H new ATOM 0 HG2 ARG A 172 9.896 -0.994 1.510 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.341 -1.227 3.156 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.416 -2.510 3.665 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.973 -2.249 2.024 1.00 1.08 H new ATOM 0 HE ARG A 172 11.361 0.310 3.011 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.560 -2.333 3.835 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.759 -1.255 4.557 1.00 2.48 H new ATOM 0 HH21 ARG A 172 12.889 1.675 3.943 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.380 1.011 4.618 1.00 3.69 H new ATOM 1371 N LEU A 173 7.208 -0.683 0.855 1.00 0.20 N ATOM 1372 CA LEU A 173 6.748 0.293 -0.070 1.00 0.24 C ATOM 1373 C LEU A 173 7.593 1.562 0.020 1.00 0.25 C ATOM 1374 O LEU A 173 7.540 2.293 0.991 1.00 0.48 O ATOM 1375 CB LEU A 173 5.284 0.532 0.255 1.00 0.37 C ATOM 1376 CG LEU A 173 4.839 1.957 0.152 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.629 2.347 -1.272 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.620 2.195 1.020 1.00 0.54 C ATOM 0 H LEU A 173 7.098 -0.417 1.833 1.00 0.20 H new ATOM 0 HA LEU A 173 6.845 -0.044 -1.102 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.675 -0.073 -0.416 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.089 0.178 1.268 1.00 0.37 H new ATOM 0 HG LEU A 173 5.627 2.606 0.533 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.306 3.387 -1.321 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.563 2.231 -1.822 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.865 1.709 -1.715 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.309 3.236 0.933 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.808 1.546 0.693 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.865 1.974 2.059 1.00 0.54 H new ATOM 1390 N THR A 174 8.356 1.827 -1.010 1.00 0.17 N ATOM 1391 CA THR A 174 9.340 2.884 -0.968 1.00 0.15 C ATOM 1392 C THR A 174 8.954 4.057 -1.830 1.00 0.13 C ATOM 1393 O THR A 174 8.262 3.912 -2.832 1.00 0.12 O ATOM 1394 CB THR A 174 10.715 2.367 -1.389 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.162 1.346 -0.486 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.698 3.509 -1.419 1.00 0.20 C ATOM 0 H THR A 174 8.315 1.322 -1.895 1.00 0.17 H new ATOM 0 HA THR A 174 9.384 3.227 0.066 1.00 0.15 H new ATOM 0 HB THR A 174 10.643 1.934 -2.387 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.043 1.022 -0.768 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.678 3.138 -1.719 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.360 4.261 -2.132 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.768 3.955 -0.427 1.00 0.20 H new ATOM 1404 N PHE A 175 9.412 5.220 -1.404 1.00 0.16 N ATOM 1405 CA PHE A 175 9.153 6.456 -2.075 1.00 0.17 C ATOM 1406 C PHE A 175 10.433 7.087 -2.618 1.00 0.19 C ATOM 1407 O PHE A 175 11.287 7.518 -1.848 1.00 0.32 O ATOM 1408 CB PHE A 175 8.544 7.408 -1.079 1.00 0.30 C ATOM 1409 CG PHE A 175 7.547 6.760 -0.189 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.340 6.331 -0.689 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.831 6.561 1.143 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.426 5.711 0.118 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.919 5.944 1.959 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.713 5.516 1.444 1.00 0.15 C ATOM 0 H PHE A 175 9.984 5.321 -0.565 1.00 0.16 H new ATOM 0 HA PHE A 175 8.486 6.260 -2.915 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.336 7.844 -0.471 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.066 8.228 -1.615 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.111 6.486 -1.733 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.776 6.892 1.547 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.483 5.377 -0.288 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.144 5.793 3.004 1.00 0.22 H new ATOM 0 HZ PHE A 175 4.995 5.027 2.086 1.00 0.15 H new ATOM 1424 N ASP A 176 10.550 7.173 -3.930 1.00 0.16 N ATOM 1425 CA ASP A 176 11.721 7.804 -4.550 1.00 0.20 C ATOM 1426 C ASP A 176 11.387 9.187 -5.086 1.00 0.19 C ATOM 1427 O ASP A 176 10.755 9.324 -6.133 1.00 0.20 O ATOM 1428 CB ASP A 176 12.285 6.957 -5.693 1.00 0.29 C ATOM 1429 CG ASP A 176 13.376 7.687 -6.459 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.145 8.055 -7.632 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.461 7.922 -5.887 1.00 0.68 O ATOM 0 H ASP A 176 9.858 6.819 -4.591 1.00 0.16 H new ATOM 0 HA ASP A 176 12.473 7.889 -3.766 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.685 6.026 -5.291 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.480 6.689 -6.377 1.00 0.29 H new ATOM 1436 N GLY A 177 11.800 10.210 -4.373 1.00 0.21 N ATOM 1437 CA GLY A 177 11.667 11.554 -4.890 1.00 0.23 C ATOM 1438 C GLY A 177 10.282 12.119 -4.736 1.00 0.23 C ATOM 1439 O GLY A 177 9.813 12.372 -3.624 1.00 0.27 O ATOM 0 H GLY A 177 12.224 10.141 -3.448 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.376 12.204 -4.377 1.00 0.23 H new ATOM 0 HA3 GLY A 177 11.937 11.558 -5.946 1.00 0.23 H new ATOM 1443 N ASP A 178 9.629 12.326 -5.862 1.00 0.22 N ATOM 1444 CA ASP A 178 8.294 12.877 -5.877 1.00 0.26 C ATOM 1445 C ASP A 178 7.378 11.804 -6.358 1.00 0.23 C ATOM 1446 O ASP A 178 6.206 12.040 -6.625 1.00 0.25 O ATOM 1447 CB ASP A 178 8.188 14.071 -6.812 1.00 0.34 C ATOM 1448 CG ASP A 178 7.260 15.140 -6.277 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.695 15.958 -5.435 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.082 15.162 -6.689 1.00 1.34 O ATOM 0 H ASP A 178 10.008 12.118 -6.786 1.00 0.22 H new ATOM 0 HA ASP A 178 8.035 13.218 -4.875 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.179 14.498 -6.966 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.830 13.736 -7.786 1.00 0.34 H new ATOM 1455 N HIS A 179 7.939 10.608 -6.471 1.00 0.19 N ATOM 1456 CA HIS A 179 7.194 9.471 -6.940 1.00 0.17 C ATOM 1457 C HIS A 179 7.450 8.238 -6.112 1.00 0.13 C ATOM 1458 O HIS A 179 8.427 8.142 -5.383 1.00 0.13 O ATOM 1459 CB HIS A 179 7.517 9.191 -8.413 1.00 0.22 C ATOM 1460 CG HIS A 179 8.850 8.550 -8.678 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.037 7.186 -8.717 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.060 9.095 -8.935 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.300 6.922 -8.980 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.949 8.063 -9.117 1.00 0.45 N ATOM 0 H HIS A 179 8.913 10.410 -6.241 1.00 0.19 H new ATOM 0 HA HIS A 179 6.137 9.718 -6.840 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.738 8.547 -8.821 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.472 10.132 -8.961 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.309 6.488 -8.565 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.287 10.150 -8.988 1.00 0.93 H new ATOM 0 HE1 HIS A 179 10.733 5.936 -9.069 1.00 1.05 H new ATOM 1473 N LEU A 180 6.534 7.300 -6.231 1.00 0.13 N ATOM 1474 CA LEU A 180 6.668 6.030 -5.558 1.00 0.12 C ATOM 1475 C LEU A 180 7.782 5.238 -6.168 1.00 0.14 C ATOM 1476 O LEU A 180 7.869 5.087 -7.388 1.00 0.22 O ATOM 1477 CB LEU A 180 5.371 5.242 -5.650 1.00 0.17 C ATOM 1478 CG LEU A 180 5.183 4.237 -4.537 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.488 4.905 -3.226 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.773 3.701 -4.539 1.00 0.20 C ATOM 0 H LEU A 180 5.686 7.396 -6.790 1.00 0.13 H new ATOM 0 HA LEU A 180 6.894 6.218 -4.509 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.533 5.939 -5.642 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.342 4.720 -6.606 1.00 0.17 H new ATOM 0 HG LEU A 180 5.860 3.396 -4.687 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.356 4.190 -2.414 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.518 5.263 -3.231 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.812 5.748 -3.081 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.657 2.979 -3.731 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.071 4.523 -4.395 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.570 3.214 -5.493 1.00 0.20 H new ATOM 1492 N ALA A 181 8.635 4.746 -5.302 1.00 0.12 N ATOM 1493 CA ALA A 181 9.797 4.036 -5.714 1.00 0.13 C ATOM 1494 C ALA A 181 9.456 2.607 -6.068 1.00 0.14 C ATOM 1495 O ALA A 181 9.821 2.105 -7.129 1.00 0.15 O ATOM 1496 CB ALA A 181 10.797 4.070 -4.596 1.00 0.13 C ATOM 0 H ALA A 181 8.532 4.833 -4.291 1.00 0.12 H new ATOM 0 HA ALA A 181 10.215 4.507 -6.604 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.695 3.530 -4.895 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.054 5.105 -4.369 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.369 3.600 -3.710 1.00 0.13 H new ATOM 1502 N THR A 182 8.745 1.963 -5.159 1.00 0.15 N ATOM 1503 CA THR A 182 8.390 0.573 -5.317 1.00 0.18 C ATOM 1504 C THR A 182 7.583 0.088 -4.145 1.00 0.17 C ATOM 1505 O THR A 182 7.346 0.809 -3.183 1.00 0.16 O ATOM 1506 CB THR A 182 9.639 -0.318 -5.410 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.305 -1.614 -5.932 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.259 -0.462 -4.031 1.00 0.24 C ATOM 0 H THR A 182 8.402 2.390 -4.298 1.00 0.15 H new ATOM 0 HA THR A 182 7.810 0.505 -6.238 1.00 0.18 H new ATOM 0 HB THR A 182 10.353 0.150 -6.088 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.114 -2.164 -5.984 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.145 -1.094 -4.095 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.541 0.521 -3.654 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.537 -0.917 -3.353 1.00 0.24 H new ATOM 1516 N ILE A 183 7.193 -1.151 -4.267 1.00 0.20 N ATOM 1517 CA ILE A 183 6.531 -1.905 -3.247 1.00 0.18 C ATOM 1518 C ILE A 183 6.909 -3.344 -3.493 1.00 0.20 C ATOM 1519 O ILE A 183 6.814 -3.810 -4.622 1.00 0.28 O ATOM 1520 CB ILE A 183 5.020 -1.770 -3.334 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.625 -0.385 -2.892 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.355 -2.837 -2.499 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.365 0.560 -4.028 1.00 0.20 C ATOM 0 H ILE A 183 7.337 -1.685 -5.124 1.00 0.20 H new ATOM 0 HA ILE A 183 6.828 -1.547 -2.261 1.00 0.18 H new ATOM 0 HB ILE A 183 4.688 -1.911 -4.363 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.729 -0.452 -2.275 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.415 0.025 -2.263 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.272 -2.731 -2.568 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.648 -3.821 -2.866 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.664 -2.731 -1.459 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.086 1.537 -3.632 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.266 0.658 -4.633 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.554 0.173 -4.645 1.00 0.20 H new ATOM 1535 N VAL A 184 7.377 -4.037 -2.492 1.00 0.21 N ATOM 1536 CA VAL A 184 7.892 -5.369 -2.713 1.00 0.24 C ATOM 1537 C VAL A 184 7.384 -6.351 -1.694 1.00 0.23 C ATOM 1538 O VAL A 184 7.662 -6.187 -0.514 1.00 0.22 O ATOM 1539 CB VAL A 184 9.416 -5.372 -2.640 1.00 0.29 C ATOM 1540 CG1 VAL A 184 9.939 -6.780 -2.724 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.004 -4.502 -3.733 1.00 0.34 C ATOM 0 H VAL A 184 7.415 -3.712 -1.526 1.00 0.21 H new ATOM 0 HA VAL A 184 7.549 -5.669 -3.703 1.00 0.24 H new ATOM 0 HB VAL A 184 9.722 -4.954 -1.681 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.028 -6.768 -2.671 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.542 -7.366 -1.895 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.627 -7.228 -3.667 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.092 -4.517 -3.664 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.697 -4.884 -4.707 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.647 -3.479 -3.615 1.00 0.34 H new ATOM 1551 N ASN A 185 6.677 -7.382 -2.151 1.00 0.29 N ATOM 1552 CA ASN A 185 6.271 -8.462 -1.263 1.00 0.32 C ATOM 1553 C ASN A 185 7.510 -9.085 -0.687 1.00 0.33 C ATOM 1554 O ASN A 185 8.165 -9.918 -1.302 1.00 0.40 O ATOM 1555 CB ASN A 185 5.424 -9.512 -1.990 1.00 0.44 C ATOM 1556 CG ASN A 185 4.083 -8.967 -2.444 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.534 -8.052 -1.836 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.550 -9.527 -3.517 1.00 1.57 N ATOM 0 H ASN A 185 6.377 -7.490 -3.120 1.00 0.29 H new ATOM 0 HA ASN A 185 5.646 -8.056 -0.468 1.00 0.32 H new ATOM 0 HB2 ASN A 185 5.974 -9.881 -2.856 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.261 -10.363 -1.329 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.650 -9.201 -3.869 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.039 -10.285 -3.993 1.00 1.57 H new ATOM 1565 N MET A 186 7.780 -8.639 0.516 1.00 0.31 N ATOM 1566 CA MET A 186 9.013 -8.844 1.242 1.00 0.36 C ATOM 1567 C MET A 186 9.397 -10.277 1.329 1.00 0.43 C ATOM 1568 O MET A 186 10.575 -10.622 1.421 1.00 0.53 O ATOM 1569 CB MET A 186 8.804 -8.277 2.625 1.00 0.36 C ATOM 1570 CG MET A 186 8.780 -6.768 2.654 1.00 0.34 C ATOM 1571 SD MET A 186 10.423 -6.049 2.487 1.00 0.94 S ATOM 1572 CE MET A 186 11.192 -6.628 4.000 1.00 1.42 C ATOM 0 H MET A 186 7.105 -8.090 1.048 1.00 0.31 H new ATOM 0 HA MET A 186 9.828 -8.347 0.716 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.865 -8.656 3.028 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.599 -8.634 3.280 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.143 -6.402 1.848 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.334 -6.433 3.590 1.00 0.34 H new ATOM 0 HE1 MET A 186 11.707 -5.800 4.486 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.427 -7.022 4.669 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.910 -7.414 3.766 1.00 1.42 H new ATOM 1582 N GLU A 187 8.397 -11.098 1.275 1.00 0.43 N ATOM 1583 CA GLU A 187 8.568 -12.487 1.447 1.00 0.51 C ATOM 1584 C GLU A 187 9.379 -13.072 0.326 1.00 0.59 C ATOM 1585 O GLU A 187 10.271 -13.892 0.528 1.00 0.68 O ATOM 1586 CB GLU A 187 7.209 -13.114 1.504 1.00 0.50 C ATOM 1587 CG GLU A 187 6.225 -12.257 2.269 1.00 0.42 C ATOM 1588 CD GLU A 187 5.259 -13.070 3.107 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.225 -12.865 4.339 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.539 -13.920 2.540 1.00 0.67 O ATOM 0 H GLU A 187 7.433 -10.810 1.108 1.00 0.43 H new ATOM 0 HA GLU A 187 9.112 -12.684 2.371 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.840 -13.274 0.491 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.281 -14.094 1.976 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.774 -11.574 2.917 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.661 -11.645 1.565 1.00 0.42 H new ATOM 1597 N ASN A 188 9.054 -12.629 -0.854 1.00 0.58 N ATOM 1598 CA ASN A 188 9.737 -13.096 -2.038 1.00 0.67 C ATOM 1599 C ASN A 188 10.662 -12.026 -2.600 1.00 0.64 C ATOM 1600 O ASN A 188 11.595 -12.346 -3.332 1.00 0.74 O ATOM 1601 CB ASN A 188 8.727 -13.566 -3.091 1.00 0.73 C ATOM 1602 CG ASN A 188 9.383 -14.287 -4.253 1.00 1.45 C ATOM 1603 OD1 ASN A 188 10.451 -14.881 -4.110 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.735 -14.268 -5.408 1.00 1.95 N ATOM 0 H ASN A 188 8.319 -11.943 -1.028 1.00 0.58 H new ATOM 0 HA ASN A 188 10.357 -13.948 -1.758 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.001 -14.229 -2.621 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.175 -12.705 -3.468 1.00 0.73 H new ATOM 0 HD21 ASN A 188 9.119 -14.757 -6.217 1.00 1.95 H new ATOM 0 HD22 ASN A 188 7.852 -13.765 -5.489 1.00 1.95 H new ATOM 1611 N ASN A 189 10.417 -10.765 -2.223 1.00 0.53 N ATOM 1612 CA ASN A 189 11.272 -9.639 -2.570 1.00 0.52 C ATOM 1613 C ASN A 189 11.891 -9.725 -3.977 1.00 0.61 C ATOM 1614 O ASN A 189 13.062 -9.414 -4.177 1.00 0.71 O ATOM 1615 CB ASN A 189 12.319 -9.455 -1.469 1.00 0.59 C ATOM 1616 CG ASN A 189 13.387 -10.541 -1.407 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.431 -10.447 -2.055 1.00 1.80 O ATOM 1618 ND2 ASN A 189 13.147 -11.558 -0.593 1.00 1.74 N ATOM 0 H ASN A 189 9.607 -10.502 -1.661 1.00 0.53 H new ATOM 0 HA ASN A 189 10.646 -8.749 -2.625 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.809 -8.492 -1.612 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.809 -9.413 -0.507 1.00 0.59 H new ATOM 0 HD21 ASN A 189 13.839 -12.300 -0.485 1.00 1.74 H new ATOM 0 HD22 ASN A 189 12.270 -11.600 -0.074 1.00 1.74 H new