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 Set 1.1: A 151 SER OG : rot -160:sc= -0.859 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00145 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.0646 (180deg=-0.476) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl 173:sc= 0 (180deg=-0.04) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -37:sc= 0.424 USER MOD Single : A 132 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.79) USER MOD Single : A 133 TYR OH : rot 81:sc= -5.19! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) 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 -138:sc= -12.8! (180deg=-20!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 148 GLN : amide:sc= 0.00401 K(o=0.004,f=-2.4!) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 179 HIS : no HE2:sc= 0.0663 K(o=0.18,f=-3.6!) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 185 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.3) USER MOD Single : A 186 MET CE :methyl -155:sc= -0.187 (180deg=-0.803) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 189 ASN : amide:sc= -0.547 K(o=-0.55,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.202 8.185 -8.345 1.00 0.27 N ATOM 468 CA THR A 118 4.239 9.179 -8.209 1.00 0.26 C ATOM 469 C THR A 118 3.891 10.100 -7.057 1.00 0.25 C ATOM 470 O THR A 118 3.079 11.014 -7.196 1.00 0.32 O ATOM 471 CB THR A 118 4.412 9.986 -9.504 1.00 0.30 C ATOM 472 OG1 THR A 118 4.970 9.164 -10.539 1.00 0.32 O ATOM 473 CG2 THR A 118 5.260 11.245 -9.317 1.00 0.32 C ATOM 0 HA THR A 118 5.185 8.676 -8.008 1.00 0.26 H new ATOM 0 HB THR A 118 3.415 10.316 -9.797 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.072 9.693 -11.358 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.345 11.771 -10.268 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.787 11.897 -8.583 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.254 10.966 -8.967 1.00 0.32 H new ATOM 481 N ILE A 119 4.468 9.820 -5.907 1.00 0.19 N ATOM 482 CA ILE A 119 4.167 10.563 -4.717 1.00 0.18 C ATOM 483 C ILE A 119 5.421 11.096 -4.073 1.00 0.19 C ATOM 484 O ILE A 119 6.522 10.645 -4.330 1.00 0.20 O ATOM 485 CB ILE A 119 3.532 9.681 -3.676 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.583 8.794 -3.094 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.434 8.858 -4.227 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.184 8.312 -1.777 1.00 0.17 C ATOM 0 H ILE A 119 5.153 9.075 -5.778 1.00 0.19 H new ATOM 0 HA ILE A 119 3.502 11.368 -5.028 1.00 0.18 H new ATOM 0 HB ILE A 119 3.097 10.322 -2.910 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.759 7.948 -3.758 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.523 9.340 -3.017 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.010 8.240 -3.435 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.660 9.509 -4.633 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.822 8.217 -5.019 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.965 7.668 -1.373 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.032 9.160 -1.110 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.256 7.747 -1.862 1.00 0.17 H new ATOM 500 N SER A 120 5.201 11.906 -3.100 1.00 0.21 N ATOM 501 CA SER A 120 6.265 12.673 -2.497 1.00 0.28 C ATOM 502 C SER A 120 6.466 12.213 -1.064 1.00 0.28 C ATOM 503 O SER A 120 5.657 11.441 -0.546 1.00 0.25 O ATOM 504 CB SER A 120 5.940 14.171 -2.559 1.00 0.36 C ATOM 505 OG SER A 120 7.047 14.959 -2.160 1.00 1.29 O ATOM 0 H SER A 120 4.281 12.066 -2.689 1.00 0.21 H new ATOM 0 HA SER A 120 7.191 12.512 -3.048 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.648 14.439 -3.574 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.088 14.386 -1.915 1.00 0.36 H new ATOM 0 HG SER A 120 6.809 15.908 -2.212 1.00 1.29 H new ATOM 511 N LYS A 121 7.533 12.675 -0.435 1.00 0.35 N ATOM 512 CA LYS A 121 7.865 12.260 0.925 1.00 0.40 C ATOM 513 C LYS A 121 6.681 12.450 1.876 1.00 0.36 C ATOM 514 O LYS A 121 6.324 11.551 2.624 1.00 0.38 O ATOM 515 CB LYS A 121 9.078 13.037 1.432 1.00 0.50 C ATOM 516 CG LYS A 121 9.521 12.614 2.817 1.00 1.34 C ATOM 517 CD LYS A 121 10.698 13.434 3.306 1.00 1.71 C ATOM 518 CE LYS A 121 11.093 13.040 4.717 1.00 2.46 C ATOM 519 NZ LYS A 121 9.956 13.161 5.672 1.00 3.26 N ATOM 0 H LYS A 121 8.189 13.341 -0.843 1.00 0.35 H new ATOM 0 HA LYS A 121 8.105 11.197 0.900 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.905 12.901 0.736 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.841 14.101 1.442 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.689 12.721 3.513 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.793 11.559 2.805 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.546 13.294 2.636 1.00 1.71 H new ATOM 0 HD3 LYS A 121 10.443 14.493 3.279 1.00 1.71 H new ATOM 0 HE2 LYS A 121 11.458 12.013 4.717 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.916 13.671 5.052 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 10.317 13.133 6.647 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 9.462 14.062 5.512 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 9.294 12.373 5.525 1.00 3.26 H new ATOM 533 N ASN A 122 6.074 13.620 1.839 1.00 0.37 N ATOM 534 CA ASN A 122 4.922 13.916 2.674 1.00 0.37 C ATOM 535 C ASN A 122 3.660 13.413 2.032 1.00 0.30 C ATOM 536 O ASN A 122 2.625 13.299 2.689 1.00 0.29 O ATOM 537 CB ASN A 122 4.823 15.411 2.961 1.00 0.48 C ATOM 538 CG ASN A 122 5.936 15.900 3.871 1.00 1.22 C ATOM 539 OD1 ASN A 122 5.805 15.885 5.093 1.00 2.17 O ATOM 540 ND2 ASN A 122 7.040 16.337 3.285 1.00 1.64 N ATOM 0 H ASN A 122 6.362 14.389 1.234 1.00 0.37 H new ATOM 0 HA ASN A 122 5.053 13.400 3.625 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.857 15.962 2.021 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.859 15.627 3.422 1.00 0.48 H new ATOM 0 HD21 ASN A 122 7.818 16.676 3.851 1.00 1.64 H new ATOM 0 HD22 ASN A 122 7.113 16.334 2.268 1.00 1.64 H new ATOM 547 N GLU A 123 3.736 13.099 0.748 1.00 0.27 N ATOM 548 CA GLU A 123 2.589 12.611 0.059 1.00 0.25 C ATOM 549 C GLU A 123 2.186 11.282 0.595 1.00 0.21 C ATOM 550 O GLU A 123 1.045 10.914 0.530 1.00 0.26 O ATOM 551 CB GLU A 123 2.783 12.547 -1.429 1.00 0.27 C ATOM 552 CG GLU A 123 1.919 13.544 -2.144 1.00 0.30 C ATOM 553 CD GLU A 123 1.844 13.313 -3.633 1.00 0.37 C ATOM 554 OE1 GLU A 123 2.694 13.864 -4.363 1.00 0.45 O ATOM 555 OE2 GLU A 123 0.957 12.565 -4.080 1.00 0.50 O ATOM 0 H GLU A 123 4.580 13.178 0.180 1.00 0.27 H new ATOM 0 HA GLU A 123 1.787 13.327 0.236 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.830 12.735 -1.668 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.550 11.543 -1.784 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.913 13.507 -1.727 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.304 14.547 -1.958 1.00 0.30 H new ATOM 562 N MET A 124 3.099 10.579 1.175 1.00 0.19 N ATOM 563 CA MET A 124 2.739 9.310 1.739 1.00 0.20 C ATOM 564 C MET A 124 2.228 9.495 3.140 1.00 0.17 C ATOM 565 O MET A 124 1.412 8.720 3.625 1.00 0.16 O ATOM 566 CB MET A 124 3.892 8.319 1.697 1.00 0.27 C ATOM 567 CG MET A 124 4.445 7.917 3.057 1.00 1.21 C ATOM 568 SD MET A 124 5.487 9.157 3.833 1.00 2.28 S ATOM 569 CE MET A 124 5.935 8.315 5.349 1.00 3.06 C ATOM 0 H MET A 124 4.078 10.847 1.273 1.00 0.19 H new ATOM 0 HA MET A 124 1.942 8.885 1.129 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.560 7.421 1.177 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.700 8.750 1.106 1.00 0.27 H new ATOM 0 HG2 MET A 124 3.611 7.693 3.722 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.019 6.997 2.944 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.680 8.903 5.885 1.00 3.06 H new ATOM 0 HE2 MET A 124 5.050 8.195 5.974 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.348 7.334 5.112 1.00 3.06 H new ATOM 579 N VAL A 125 2.687 10.557 3.757 1.00 0.20 N ATOM 580 CA VAL A 125 2.367 10.849 5.131 1.00 0.22 C ATOM 581 C VAL A 125 0.895 11.132 5.304 1.00 0.21 C ATOM 582 O VAL A 125 0.322 10.958 6.369 1.00 0.23 O ATOM 583 CB VAL A 125 3.182 12.053 5.602 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.411 12.876 6.618 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.513 11.587 6.155 1.00 0.32 C ATOM 0 H VAL A 125 3.296 11.246 3.316 1.00 0.20 H new ATOM 0 HA VAL A 125 2.616 9.974 5.732 1.00 0.22 H new ATOM 0 HB VAL A 125 3.373 12.703 4.748 1.00 0.29 H new ATOM 0 HG11 VAL A 125 3.017 13.725 6.934 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.487 13.238 6.167 1.00 0.35 H new ATOM 0 HG13 VAL A 125 2.175 12.257 7.484 1.00 0.35 H new ATOM 0 HG21 VAL A 125 5.090 12.449 6.489 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.342 10.916 6.997 1.00 0.32 H new ATOM 0 HG23 VAL A 125 5.066 11.060 5.377 1.00 0.32 H new ATOM 595 N LYS A 126 0.319 11.630 4.267 1.00 0.20 N ATOM 596 CA LYS A 126 -1.110 11.780 4.206 1.00 0.20 C ATOM 597 C LYS A 126 -1.756 10.469 3.817 1.00 0.16 C ATOM 598 O LYS A 126 -2.805 10.129 4.319 1.00 0.19 O ATOM 599 CB LYS A 126 -1.428 12.814 3.171 1.00 0.24 C ATOM 600 CG LYS A 126 -0.916 12.372 1.827 1.00 0.32 C ATOM 601 CD LYS A 126 -0.135 13.397 1.093 1.00 0.39 C ATOM 602 CE LYS A 126 -0.867 14.703 0.973 1.00 0.59 C ATOM 603 NZ LYS A 126 -2.095 14.585 0.135 1.00 1.51 N ATOM 0 H LYS A 126 0.815 11.947 3.434 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.491 12.082 5.181 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.505 12.974 3.124 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -0.976 13.767 3.446 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.292 11.489 1.964 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.764 12.071 1.211 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.813 13.562 1.605 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.101 13.024 0.096 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -1.140 15.057 1.967 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -0.203 15.451 0.539 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -2.568 15.510 0.080 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.834 14.272 -0.822 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -2.741 13.891 0.562 1.00 1.51 H new ATOM 617 N LEU A 127 -1.110 9.756 2.905 1.00 0.15 N ATOM 618 CA LEU A 127 -1.630 8.531 2.356 1.00 0.19 C ATOM 619 C LEU A 127 -1.955 7.500 3.355 1.00 0.20 C ATOM 620 O LEU A 127 -2.986 6.885 3.220 1.00 0.24 O ATOM 621 CB LEU A 127 -0.689 7.966 1.363 1.00 0.25 C ATOM 622 CG LEU A 127 -1.126 8.301 -0.044 1.00 0.32 C ATOM 623 CD1 LEU A 127 0.023 8.880 -0.864 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.766 7.095 -0.685 1.00 0.40 C ATOM 0 H LEU A 127 -0.201 10.023 2.527 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.572 8.812 1.884 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.312 8.358 1.540 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.633 6.884 1.483 1.00 0.25 H new ATOM 0 HG LEU A 127 -1.882 9.086 -0.006 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.328 9.109 -1.870 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.385 9.792 -0.389 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.833 8.153 -0.919 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.078 7.345 -1.699 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.047 6.276 -0.718 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.636 6.791 -0.102 1.00 0.40 H new ATOM 636 N LEU A 128 -1.122 7.261 4.335 1.00 0.18 N ATOM 637 CA LEU A 128 -1.528 6.281 5.306 1.00 0.24 C ATOM 638 C LEU A 128 -2.815 6.745 5.987 1.00 0.26 C ATOM 639 O LEU A 128 -3.754 5.973 6.171 1.00 0.32 O ATOM 640 CB LEU A 128 -0.446 5.891 6.340 1.00 0.28 C ATOM 641 CG LEU A 128 0.558 6.939 6.790 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.732 6.971 5.874 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.065 8.271 6.818 1.00 0.21 C ATOM 0 H LEU A 128 -0.213 7.701 4.479 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.704 5.358 4.753 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.958 5.524 7.229 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.116 5.053 5.927 1.00 0.28 H new ATOM 0 HG LEU A 128 0.891 6.672 7.793 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.438 7.728 6.214 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.218 5.996 5.872 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.399 7.213 4.865 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.669 9.009 7.143 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.421 8.527 5.820 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -0.905 8.265 7.512 1.00 0.21 H new ATOM 655 N GLU A 129 -2.883 8.035 6.263 1.00 0.23 N ATOM 656 CA GLU A 129 -4.049 8.636 6.868 1.00 0.28 C ATOM 657 C GLU A 129 -5.197 8.529 5.885 1.00 0.25 C ATOM 658 O GLU A 129 -6.374 8.448 6.242 1.00 0.31 O ATOM 659 CB GLU A 129 -3.780 10.114 7.121 1.00 0.32 C ATOM 660 CG GLU A 129 -2.400 10.394 7.672 1.00 0.44 C ATOM 661 CD GLU A 129 -2.196 11.860 7.992 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.396 12.704 7.095 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.804 12.178 9.135 1.00 2.23 O ATOM 0 H GLU A 129 -2.128 8.693 6.072 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.284 8.133 7.806 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.907 10.663 6.188 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.525 10.496 7.819 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.244 9.802 8.574 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.650 10.075 6.948 1.00 0.44 H new ATOM 670 N ALA A 130 -4.796 8.524 4.627 1.00 0.21 N ATOM 671 CA ALA A 130 -5.681 8.621 3.510 1.00 0.25 C ATOM 672 C ALA A 130 -6.095 7.238 3.020 1.00 0.28 C ATOM 673 O ALA A 130 -6.959 7.099 2.157 1.00 0.33 O ATOM 674 CB ALA A 130 -4.961 9.383 2.400 1.00 0.26 C ATOM 0 H ALA A 130 -3.814 8.450 4.360 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.588 9.148 3.805 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.617 9.471 1.534 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.695 10.378 2.756 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.056 8.845 2.117 1.00 0.26 H new ATOM 680 N THR A 131 -5.463 6.215 3.578 1.00 0.26 N ATOM 681 CA THR A 131 -5.660 4.862 3.123 1.00 0.29 C ATOM 682 C THR A 131 -6.149 3.995 4.269 1.00 0.29 C ATOM 683 O THR A 131 -6.422 2.804 4.106 1.00 0.33 O ATOM 684 CB THR A 131 -4.367 4.283 2.524 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.637 3.018 1.913 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.330 4.110 3.605 1.00 0.28 C ATOM 0 H THR A 131 -4.806 6.307 4.353 1.00 0.26 H new ATOM 0 HA THR A 131 -6.416 4.872 2.337 1.00 0.29 H new ATOM 0 HB THR A 131 -3.988 4.974 1.771 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.299 2.531 2.447 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.418 3.700 3.172 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.113 5.077 4.059 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.709 3.428 4.367 1.00 0.28 H new ATOM 694 N GLN A 132 -6.239 4.641 5.427 1.00 0.25 N ATOM 695 CA GLN A 132 -6.624 4.017 6.684 1.00 0.25 C ATOM 696 C GLN A 132 -5.536 3.093 7.214 1.00 0.21 C ATOM 697 O GLN A 132 -5.758 1.910 7.469 1.00 0.23 O ATOM 698 CB GLN A 132 -7.953 3.275 6.583 1.00 0.32 C ATOM 699 CG GLN A 132 -9.119 4.165 6.182 1.00 0.41 C ATOM 700 CD GLN A 132 -9.329 5.322 7.137 1.00 1.38 C ATOM 701 OE1 GLN A 132 -9.043 5.223 8.331 1.00 2.19 O ATOM 702 NE2 GLN A 132 -9.825 6.430 6.616 1.00 2.15 N ATOM 0 H GLN A 132 -6.041 5.637 5.518 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.756 4.831 7.397 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.855 2.469 5.856 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.175 2.811 7.544 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.945 4.555 5.179 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -10.029 3.566 6.138 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.049 6.470 5.622 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -9.984 7.245 7.208 1.00 2.15 H new ATOM 711 N TYR A 133 -4.369 3.668 7.393 1.00 0.17 N ATOM 712 CA TYR A 133 -3.217 2.992 7.908 1.00 0.15 C ATOM 713 C TYR A 133 -2.417 4.027 8.639 1.00 0.15 C ATOM 714 O TYR A 133 -2.442 5.197 8.296 1.00 0.18 O ATOM 715 CB TYR A 133 -2.394 2.308 6.809 1.00 0.16 C ATOM 716 CG TYR A 133 -0.889 2.558 6.859 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.196 2.325 8.034 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.152 3.051 5.768 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.146 2.565 8.128 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.182 3.265 5.862 1.00 0.25 C ATOM 721 CZ TYR A 133 1.845 2.990 6.861 1.00 0.19 C ATOM 722 OH TYR A 133 3.166 3.279 7.123 1.00 0.27 O ATOM 0 H TYR A 133 -4.198 4.650 7.175 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.517 2.182 8.573 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.568 1.233 6.866 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.767 2.641 5.840 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.727 1.946 8.895 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.659 3.263 4.838 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.678 2.456 9.061 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.691 3.700 5.015 1.00 0.25 H new ATOM 0 HH TYR A 133 3.682 2.447 7.157 1.00 0.27 H new ATOM 732 N ARG A 134 -1.771 3.629 9.683 1.00 0.15 N ATOM 733 CA ARG A 134 -1.039 4.550 10.490 1.00 0.18 C ATOM 734 C ARG A 134 0.161 3.824 11.038 1.00 0.19 C ATOM 735 O ARG A 134 0.182 2.597 10.987 1.00 0.18 O ATOM 736 CB ARG A 134 -1.935 5.023 11.613 1.00 0.18 C ATOM 737 CG ARG A 134 -3.390 5.177 11.197 1.00 0.22 C ATOM 738 CD ARG A 134 -4.099 3.838 11.185 1.00 0.25 C ATOM 739 NE ARG A 134 -4.607 3.456 12.501 1.00 0.28 N ATOM 740 CZ ARG A 134 -5.105 2.255 12.782 1.00 0.44 C ATOM 741 NH1 ARG A 134 -5.191 1.336 11.829 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.519 1.977 14.012 1.00 0.49 N ATOM 0 H ARG A 134 -1.734 2.661 10.001 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.711 5.416 9.915 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.874 4.316 12.440 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.567 5.980 11.984 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.898 5.855 11.883 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.442 5.628 10.206 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.927 3.877 10.478 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.411 3.071 10.829 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.578 4.151 13.247 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.876 1.551 10.883 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.573 0.414 12.042 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.456 2.685 14.744 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.901 1.056 14.226 1.00 0.49 H new ATOM 756 N GLN A 135 1.150 4.544 11.540 1.00 0.22 N ATOM 757 CA GLN A 135 2.355 3.901 12.036 1.00 0.25 C ATOM 758 C GLN A 135 2.053 2.767 12.960 1.00 0.24 C ATOM 759 O GLN A 135 0.988 2.685 13.582 1.00 0.30 O ATOM 760 CB GLN A 135 3.265 4.863 12.778 1.00 0.35 C ATOM 761 CG GLN A 135 2.989 4.910 14.262 1.00 0.88 C ATOM 762 CD GLN A 135 3.454 6.191 14.915 1.00 1.36 C ATOM 763 OE1 GLN A 135 2.696 7.155 15.023 1.00 1.87 O ATOM 764 NE2 GLN A 135 4.698 6.215 15.352 1.00 1.96 N ATOM 0 H GLN A 135 1.144 5.561 11.615 1.00 0.22 H new ATOM 0 HA GLN A 135 2.859 3.531 11.143 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.303 4.571 12.616 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.146 5.863 12.360 1.00 0.35 H new ATOM 0 HG2 GLN A 135 1.918 4.793 14.430 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.482 4.065 14.743 1.00 0.88 H new ATOM 0 HE21 GLN A 135 5.293 5.394 15.243 1.00 1.96 H new ATOM 0 HE22 GLN A 135 5.065 7.055 15.800 1.00 1.96 H new ATOM 773 N VAL A 136 3.033 1.922 13.083 1.00 0.23 N ATOM 774 CA VAL A 136 2.851 0.712 13.786 1.00 0.24 C ATOM 775 C VAL A 136 4.140 0.275 14.467 1.00 0.27 C ATOM 776 O VAL A 136 5.240 0.608 14.023 1.00 0.27 O ATOM 777 CB VAL A 136 2.323 -0.384 12.826 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.656 -1.776 13.294 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.833 -0.258 12.623 1.00 0.20 C ATOM 0 H VAL A 136 3.968 2.060 12.699 1.00 0.23 H new ATOM 0 HA VAL A 136 2.109 0.872 14.569 1.00 0.24 H new ATOM 0 HB VAL A 136 2.831 -0.224 11.875 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.262 -2.503 12.584 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.738 -1.887 13.364 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.209 -1.947 14.273 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.491 -1.040 11.945 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.325 -0.361 13.582 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.605 0.718 12.195 1.00 0.20 H new ATOM 789 N SER A 137 3.985 -0.444 15.555 1.00 0.31 N ATOM 790 CA SER A 137 5.092 -1.063 16.246 1.00 0.35 C ATOM 791 C SER A 137 5.820 -2.038 15.355 1.00 0.33 C ATOM 792 O SER A 137 7.039 -1.989 15.194 1.00 0.35 O ATOM 793 CB SER A 137 4.517 -1.827 17.408 1.00 0.39 C ATOM 794 OG SER A 137 4.202 -0.963 18.487 1.00 0.73 O ATOM 0 H SER A 137 3.078 -0.617 15.989 1.00 0.31 H new ATOM 0 HA SER A 137 5.798 -0.294 16.561 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.619 -2.357 17.089 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.231 -2.581 17.739 1.00 0.39 H new ATOM 0 HG SER A 137 3.829 -1.486 19.227 1.00 0.73 H new ATOM 800 N LYS A 138 5.037 -2.893 14.757 1.00 0.30 N ATOM 801 CA LYS A 138 5.525 -3.925 13.895 1.00 0.30 C ATOM 802 C LYS A 138 4.403 -4.369 13.005 1.00 0.27 C ATOM 803 O LYS A 138 3.370 -4.864 13.462 1.00 0.28 O ATOM 804 CB LYS A 138 6.036 -5.071 14.710 1.00 0.35 C ATOM 805 CG LYS A 138 5.019 -5.562 15.692 1.00 0.37 C ATOM 806 CD LYS A 138 5.495 -6.814 16.399 1.00 0.43 C ATOM 807 CE LYS A 138 5.829 -7.899 15.391 1.00 0.44 C ATOM 808 NZ LYS A 138 6.320 -9.142 16.039 1.00 0.51 N ATOM 0 H LYS A 138 4.022 -2.889 14.860 1.00 0.30 H new ATOM 0 HA LYS A 138 6.348 -3.550 13.286 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.323 -5.887 14.047 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.935 -4.763 15.244 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.814 -4.783 16.426 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.082 -5.768 15.175 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.374 -6.586 17.002 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.723 -7.169 17.082 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.942 -8.127 14.799 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.587 -7.529 14.700 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.534 -9.852 15.310 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.181 -8.933 16.583 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.588 -9.512 16.679 1.00 0.51 H new ATOM 822 N MET A 139 4.576 -4.144 11.745 1.00 0.25 N ATOM 823 CA MET A 139 3.483 -4.270 10.846 1.00 0.25 C ATOM 824 C MET A 139 3.299 -5.706 10.429 1.00 0.26 C ATOM 825 O MET A 139 4.142 -6.325 9.772 1.00 0.30 O ATOM 826 CB MET A 139 3.641 -3.329 9.659 1.00 0.33 C ATOM 827 CG MET A 139 4.077 -3.979 8.388 1.00 0.70 C ATOM 828 SD MET A 139 3.359 -3.199 6.952 1.00 2.16 S ATOM 829 CE MET A 139 3.752 -4.447 5.757 1.00 2.71 C ATOM 0 H MET A 139 5.462 -3.873 11.318 1.00 0.25 H new ATOM 0 HA MET A 139 2.570 -3.970 11.361 1.00 0.25 H new ATOM 0 HB2 MET A 139 2.689 -2.827 9.484 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.365 -2.557 9.921 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.164 -3.939 8.316 1.00 0.70 H new ATOM 0 HG3 MET A 139 3.797 -5.032 8.406 1.00 0.70 H new ATOM 0 HE1 MET A 139 4.096 -3.974 4.837 1.00 2.71 H new ATOM 0 HE2 MET A 139 4.538 -5.092 6.150 1.00 2.71 H new ATOM 0 HE3 MET A 139 2.864 -5.044 5.548 1.00 2.71 H new ATOM 839 N THR A 140 2.249 -6.268 10.946 1.00 0.25 N ATOM 840 CA THR A 140 1.705 -7.458 10.387 1.00 0.26 C ATOM 841 C THR A 140 0.268 -7.560 10.791 1.00 0.27 C ATOM 842 O THR A 140 -0.090 -8.143 11.812 1.00 0.30 O ATOM 843 CB THR A 140 2.510 -8.661 10.882 1.00 0.31 C ATOM 844 OG1 THR A 140 1.901 -9.897 10.480 1.00 0.35 O ATOM 845 CG2 THR A 140 2.673 -8.598 12.396 1.00 0.34 C ATOM 0 H THR A 140 1.751 -5.914 11.763 1.00 0.25 H new ATOM 0 HA THR A 140 1.762 -7.438 9.299 1.00 0.26 H new ATOM 0 HB THR A 140 3.499 -8.622 10.425 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.438 -10.648 10.809 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.248 -9.460 12.736 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.197 -7.682 12.668 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.691 -8.608 12.868 1.00 0.34 H new ATOM 853 N ARG A 141 -0.556 -7.059 9.907 1.00 0.25 N ATOM 854 CA ARG A 141 -1.985 -7.085 10.064 1.00 0.28 C ATOM 855 C ARG A 141 -2.597 -7.095 8.680 1.00 0.30 C ATOM 856 O ARG A 141 -1.880 -6.892 7.707 1.00 0.45 O ATOM 857 CB ARG A 141 -2.462 -5.846 10.836 1.00 0.30 C ATOM 858 CG ARG A 141 -1.514 -5.387 11.926 1.00 0.38 C ATOM 859 CD ARG A 141 -1.629 -6.280 13.124 1.00 1.01 C ATOM 860 NE ARG A 141 -1.065 -5.671 14.327 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.401 -6.346 15.264 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.171 -7.645 15.112 1.00 2.38 N ATOM 863 NH2 ARG A 141 0.046 -5.719 16.344 1.00 1.97 N ATOM 0 H ARG A 141 -0.246 -6.614 9.043 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.286 -7.969 10.627 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.610 -5.028 10.131 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.433 -6.062 11.282 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.489 -5.396 11.554 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.742 -4.359 12.207 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.679 -6.517 13.298 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.118 -7.222 12.923 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.187 -4.667 14.457 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.503 -8.127 14.277 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.338 -8.160 15.830 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.119 -4.719 16.458 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.554 -6.237 17.061 1.00 1.97 H new ATOM 877 N PRO A 142 -3.898 -7.315 8.534 1.00 0.36 N ATOM 878 CA PRO A 142 -4.544 -6.978 7.287 1.00 0.39 C ATOM 879 C PRO A 142 -4.866 -5.484 7.238 1.00 0.32 C ATOM 880 O PRO A 142 -5.709 -4.989 7.993 1.00 0.37 O ATOM 881 CB PRO A 142 -5.819 -7.819 7.308 1.00 0.53 C ATOM 882 CG PRO A 142 -6.120 -8.049 8.756 1.00 0.79 C ATOM 883 CD PRO A 142 -4.815 -7.934 9.508 1.00 0.55 C ATOM 0 HA PRO A 142 -3.925 -7.178 6.412 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.640 -7.300 6.814 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.676 -8.763 6.782 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.840 -7.316 9.120 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.564 -9.033 8.905 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.922 -7.320 10.402 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.454 -8.910 9.833 1.00 0.55 H new ATOM 891 N GLY A 143 -4.176 -4.770 6.359 1.00 0.27 N ATOM 892 CA GLY A 143 -4.507 -3.375 6.107 1.00 0.27 C ATOM 893 C GLY A 143 -3.988 -2.407 7.167 1.00 0.26 C ATOM 894 O GLY A 143 -4.513 -1.305 7.309 1.00 0.38 O ATOM 0 H GLY A 143 -3.392 -5.129 5.814 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.101 -3.086 5.138 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.591 -3.277 6.041 1.00 0.27 H new ATOM 898 N GLU A 144 -2.956 -2.810 7.899 1.00 0.17 N ATOM 899 CA GLU A 144 -2.311 -1.939 8.886 1.00 0.14 C ATOM 900 C GLU A 144 -0.828 -2.034 8.651 1.00 0.11 C ATOM 901 O GLU A 144 -0.298 -3.142 8.532 1.00 0.12 O ATOM 902 CB GLU A 144 -2.609 -2.395 10.310 1.00 0.18 C ATOM 903 CG GLU A 144 -4.050 -2.813 10.558 1.00 0.40 C ATOM 904 CD GLU A 144 -4.915 -1.683 11.061 1.00 0.84 C ATOM 905 OE1 GLU A 144 -5.764 -1.197 10.287 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.735 -1.253 12.216 1.00 1.44 O ATOM 0 H GLU A 144 -2.543 -3.740 7.830 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.684 -0.921 8.775 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.956 -3.233 10.552 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.357 -1.586 10.996 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.474 -3.203 9.632 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.067 -3.626 11.284 1.00 0.40 H new ATOM 913 N PHE A 145 -0.137 -0.912 8.596 1.00 0.10 N ATOM 914 CA PHE A 145 1.235 -0.954 8.111 1.00 0.10 C ATOM 915 C PHE A 145 2.146 -0.166 9.028 1.00 0.09 C ATOM 916 O PHE A 145 1.683 0.489 9.951 1.00 0.10 O ATOM 917 CB PHE A 145 1.333 -0.427 6.661 1.00 0.16 C ATOM 918 CG PHE A 145 0.192 -0.834 5.745 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.233 -2.146 5.678 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.448 0.097 4.953 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.266 -2.524 4.840 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.484 -0.267 4.112 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.909 -1.578 4.074 1.00 0.27 C ATOM 0 H PHE A 145 -0.482 0.008 8.869 1.00 0.10 H new ATOM 0 HA PHE A 145 1.559 -1.995 8.110 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.383 0.661 6.690 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.269 -0.778 6.227 1.00 0.16 H new ATOM 0 HD1 PHE A 145 0.251 -2.891 6.292 1.00 0.20 H new ATOM 0 HD2 PHE A 145 -0.134 1.130 4.990 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.568 -3.560 4.787 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.959 0.474 3.486 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.741 -1.861 3.447 1.00 0.27 H new ATOM 933 N THR A 146 3.436 -0.223 8.778 1.00 0.09 N ATOM 934 CA THR A 146 4.375 0.504 9.577 1.00 0.12 C ATOM 935 C THR A 146 5.007 1.595 8.760 1.00 0.12 C ATOM 936 O THR A 146 5.416 1.383 7.615 1.00 0.15 O ATOM 937 CB THR A 146 5.493 -0.376 10.134 1.00 0.15 C ATOM 938 OG1 THR A 146 5.978 -1.276 9.128 1.00 0.16 O ATOM 939 CG2 THR A 146 5.033 -1.145 11.341 1.00 0.19 C ATOM 0 H THR A 146 3.851 -0.769 8.023 1.00 0.09 H new ATOM 0 HA THR A 146 3.810 0.911 10.416 1.00 0.12 H new ATOM 0 HB THR A 146 6.308 0.280 10.440 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.694 -1.830 9.503 1.00 0.16 H new ATOM 0 HG21 THR A 146 5.851 -1.761 11.713 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.720 -0.448 12.119 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.193 -1.784 11.067 1.00 0.19 H new ATOM 947 N VAL A 147 5.115 2.743 9.362 1.00 0.14 N ATOM 948 CA VAL A 147 5.541 3.915 8.637 1.00 0.15 C ATOM 949 C VAL A 147 6.927 4.385 9.081 1.00 0.23 C ATOM 950 O VAL A 147 7.285 4.275 10.256 1.00 0.29 O ATOM 951 CB VAL A 147 4.488 5.023 8.787 1.00 0.28 C ATOM 952 CG1 VAL A 147 4.690 5.845 10.038 1.00 0.86 C ATOM 953 CG2 VAL A 147 4.466 5.873 7.548 1.00 0.73 C ATOM 0 H VAL A 147 4.916 2.898 10.350 1.00 0.14 H new ATOM 0 HA VAL A 147 5.630 3.659 7.581 1.00 0.15 H new ATOM 0 HB VAL A 147 3.512 4.552 8.901 1.00 0.28 H new ATOM 0 HG11 VAL A 147 3.920 6.614 10.096 1.00 0.86 H new ATOM 0 HG12 VAL A 147 4.624 5.198 10.913 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.672 6.317 10.009 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.718 6.658 7.658 1.00 0.73 H new ATOM 0 HG22 VAL A 147 5.447 6.325 7.399 1.00 0.73 H new ATOM 0 HG23 VAL A 147 4.218 5.254 6.686 1.00 0.73 H new ATOM 963 N GLN A 148 7.720 4.876 8.128 1.00 0.37 N ATOM 964 CA GLN A 148 9.077 5.322 8.424 1.00 0.51 C ATOM 965 C GLN A 148 9.336 6.731 7.881 1.00 0.58 C ATOM 966 O GLN A 148 9.171 7.708 8.608 1.00 1.16 O ATOM 967 CB GLN A 148 10.106 4.326 7.873 1.00 0.57 C ATOM 968 CG GLN A 148 9.951 2.921 8.445 1.00 1.20 C ATOM 969 CD GLN A 148 11.037 1.967 7.987 1.00 1.71 C ATOM 970 OE1 GLN A 148 11.587 2.106 6.895 1.00 2.45 O ATOM 971 NE2 GLN A 148 11.347 0.986 8.818 1.00 2.15 N ATOM 0 H GLN A 148 7.446 4.974 7.150 1.00 0.37 H new ATOM 0 HA GLN A 148 9.184 5.364 9.508 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.013 4.281 6.788 1.00 0.57 H new ATOM 0 HB3 GLN A 148 11.109 4.692 8.093 1.00 0.57 H new ATOM 0 HG2 GLN A 148 9.960 2.976 9.534 1.00 1.20 H new ATOM 0 HG3 GLN A 148 8.979 2.522 8.154 1.00 1.20 H new ATOM 0 HE21 GLN A 148 10.867 0.906 9.714 1.00 2.15 H new ATOM 0 HE22 GLN A 148 12.066 0.309 8.562 1.00 2.15 H new ATOM 980 N ALA A 149 9.721 6.844 6.607 1.00 0.40 N ATOM 981 CA ALA A 149 10.024 8.153 6.024 1.00 0.39 C ATOM 982 C ALA A 149 9.965 8.131 4.495 1.00 0.31 C ATOM 983 O ALA A 149 8.948 8.488 3.906 1.00 0.37 O ATOM 984 CB ALA A 149 11.388 8.643 6.492 1.00 0.49 C ATOM 0 H ALA A 149 9.829 6.057 5.967 1.00 0.40 H new ATOM 0 HA ALA A 149 9.257 8.845 6.371 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.596 9.617 6.049 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.390 8.731 7.578 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.155 7.933 6.184 1.00 0.49 H new ATOM 990 N ASN A 150 11.053 7.704 3.862 1.00 0.26 N ATOM 991 CA ASN A 150 11.125 7.629 2.398 1.00 0.24 C ATOM 992 C ASN A 150 10.618 6.302 1.936 1.00 0.19 C ATOM 993 O ASN A 150 10.540 6.028 0.748 1.00 0.20 O ATOM 994 CB ASN A 150 12.553 7.763 1.901 1.00 0.28 C ATOM 995 CG ASN A 150 13.206 9.079 2.281 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.055 10.087 1.592 1.00 1.02 O ATOM 997 ND2 ASN A 150 13.961 9.073 3.371 1.00 1.00 N ATOM 0 H ASN A 150 11.903 7.402 4.338 1.00 0.26 H new ATOM 0 HA ASN A 150 10.522 8.447 2.004 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.147 6.942 2.303 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.562 7.662 0.816 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.441 9.924 3.664 1.00 1.00 H new ATOM 0 HD22 ASN A 150 14.062 8.217 3.917 1.00 1.00 H new ATOM 1004 N SER A 151 10.328 5.449 2.872 1.00 0.17 N ATOM 1005 CA SER A 151 9.718 4.200 2.541 1.00 0.20 C ATOM 1006 C SER A 151 8.710 3.820 3.620 1.00 0.20 C ATOM 1007 O SER A 151 8.892 4.154 4.795 1.00 0.27 O ATOM 1008 CB SER A 151 10.772 3.105 2.415 1.00 0.27 C ATOM 1009 OG SER A 151 11.825 3.495 1.555 1.00 0.94 O ATOM 0 H SER A 151 10.504 5.595 3.866 1.00 0.17 H new ATOM 0 HA SER A 151 9.207 4.304 1.584 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.174 2.870 3.401 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.309 2.195 2.035 1.00 0.27 H new ATOM 0 HG SER A 151 12.303 2.699 1.242 1.00 0.94 H new ATOM 1015 N ILE A 152 7.645 3.159 3.220 1.00 0.18 N ATOM 1016 CA ILE A 152 6.702 2.587 4.145 1.00 0.17 C ATOM 1017 C ILE A 152 6.749 1.076 4.010 1.00 0.17 C ATOM 1018 O ILE A 152 7.374 0.549 3.094 1.00 0.19 O ATOM 1019 CB ILE A 152 5.290 3.130 3.848 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.141 4.498 4.494 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.178 2.197 4.310 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.776 5.085 4.301 1.00 0.20 C ATOM 0 H ILE A 152 7.412 3.005 2.239 1.00 0.18 H new ATOM 0 HA ILE A 152 6.957 2.860 5.169 1.00 0.17 H new ATOM 0 HB ILE A 152 5.187 3.206 2.766 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.349 4.416 5.561 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.885 5.175 4.076 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.210 2.638 4.071 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.274 1.237 3.803 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.253 2.047 5.387 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.728 6.061 4.783 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.575 5.196 3.235 1.00 0.20 H new ATOM 0 HD13 ILE A 152 3.030 4.425 4.744 1.00 0.20 H new ATOM 1034 N GLU A 153 6.137 0.375 4.921 1.00 0.16 N ATOM 1035 CA GLU A 153 5.922 -1.022 4.713 1.00 0.14 C ATOM 1036 C GLU A 153 4.434 -1.211 4.534 1.00 0.23 C ATOM 1037 O GLU A 153 3.675 -0.652 5.299 1.00 0.56 O ATOM 1038 CB GLU A 153 6.384 -1.832 5.898 1.00 0.18 C ATOM 1039 CG GLU A 153 6.760 -3.234 5.481 1.00 0.27 C ATOM 1040 CD GLU A 153 7.277 -4.094 6.621 1.00 0.50 C ATOM 1041 OE1 GLU A 153 6.810 -5.244 6.772 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.157 -3.623 7.375 1.00 0.72 O ATOM 0 H GLU A 153 5.783 0.745 5.803 1.00 0.16 H new ATOM 0 HA GLU A 153 6.487 -1.359 3.844 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.241 -1.345 6.364 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.593 -1.871 6.647 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.889 -3.718 5.039 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.523 -3.180 4.704 1.00 0.27 H new ATOM 1049 N MET A 154 4.008 -1.947 3.534 1.00 0.13 N ATOM 1050 CA MET A 154 2.578 -2.160 3.328 1.00 0.13 C ATOM 1051 C MET A 154 2.276 -3.628 3.037 1.00 0.15 C ATOM 1052 O MET A 154 2.857 -4.221 2.134 1.00 0.18 O ATOM 1053 CB MET A 154 2.088 -1.255 2.184 1.00 0.19 C ATOM 1054 CG MET A 154 0.622 -1.425 1.816 1.00 0.94 C ATOM 1055 SD MET A 154 0.335 -2.695 0.568 1.00 0.73 S ATOM 1056 CE MET A 154 -1.453 -2.676 0.481 1.00 1.32 C ATOM 0 H MET A 154 4.614 -2.406 2.854 1.00 0.13 H new ATOM 0 HA MET A 154 2.045 -1.898 4.242 1.00 0.13 H new ATOM 0 HB2 MET A 154 2.259 -0.216 2.464 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.695 -1.451 1.300 1.00 0.19 H new ATOM 0 HG2 MET A 154 0.057 -1.675 2.714 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.235 -0.474 1.451 1.00 0.94 H new ATOM 0 HE1 MET A 154 -1.789 -3.410 -0.251 1.00 1.32 H new ATOM 0 HE2 MET A 154 -1.867 -2.922 1.459 1.00 1.32 H new ATOM 0 HE3 MET A 154 -1.792 -1.684 0.182 1.00 1.32 H new ATOM 1066 N ILE A 155 1.384 -4.216 3.840 1.00 0.16 N ATOM 1067 CA ILE A 155 0.991 -5.604 3.673 1.00 0.19 C ATOM 1068 C ILE A 155 0.341 -5.835 2.315 1.00 0.27 C ATOM 1069 O ILE A 155 -0.707 -5.264 2.017 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.021 -6.064 4.743 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.273 -5.406 6.100 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.017 -7.586 4.846 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.054 -6.255 7.069 1.00 0.24 C ATOM 0 H ILE A 155 0.922 -3.741 4.616 1.00 0.16 H new ATOM 0 HA ILE A 155 1.913 -6.178 3.767 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.023 -5.753 4.448 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.824 -4.482 5.926 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.674 -5.130 6.565 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.696 -7.918 5.601 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.245 -8.023 3.882 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.020 -7.907 5.129 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.209 -5.701 7.995 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.499 -7.169 7.281 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.020 -6.510 6.633 1.00 0.24 H new ATOM 1297 N VAL A 169 0.744 -11.143 3.315 1.00 0.38 N ATOM 1298 CA VAL A 169 2.160 -10.958 3.066 1.00 0.32 C ATOM 1299 C VAL A 169 2.447 -9.505 3.142 1.00 0.26 C ATOM 1300 O VAL A 169 1.599 -8.710 2.825 1.00 0.29 O ATOM 1301 CB VAL A 169 2.536 -11.392 1.656 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.980 -11.028 1.385 1.00 0.36 C ATOM 1303 CG2 VAL A 169 2.271 -12.870 1.459 1.00 0.48 C ATOM 0 HA VAL A 169 2.716 -11.546 3.796 1.00 0.32 H new ATOM 0 HB VAL A 169 1.913 -10.865 0.934 1.00 0.38 H new ATOM 0 HG11 VAL A 169 4.250 -11.338 0.376 1.00 0.36 H new ATOM 0 HG12 VAL A 169 4.107 -9.950 1.479 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.624 -11.534 2.105 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.547 -13.157 0.444 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.863 -13.444 2.172 1.00 0.48 H new ATOM 0 HG23 VAL A 169 1.212 -13.074 1.618 1.00 0.48 H new ATOM 1313 N ARG A 170 3.634 -9.151 3.524 1.00 0.23 N ATOM 1314 CA ARG A 170 3.982 -7.771 3.552 1.00 0.20 C ATOM 1315 C ARG A 170 4.898 -7.397 2.452 1.00 0.19 C ATOM 1316 O ARG A 170 5.701 -8.193 1.976 1.00 0.25 O ATOM 1317 CB ARG A 170 4.642 -7.355 4.792 1.00 0.26 C ATOM 1318 CG ARG A 170 4.445 -8.249 5.934 1.00 0.23 C ATOM 1319 CD ARG A 170 5.815 -8.560 6.372 1.00 0.39 C ATOM 1320 NE ARG A 170 5.908 -9.115 7.716 1.00 0.93 N ATOM 1321 CZ ARG A 170 6.651 -8.580 8.685 1.00 0.96 C ATOM 1322 NH1 ARG A 170 7.221 -7.387 8.517 1.00 1.39 N ATOM 1323 NH2 ARG A 170 6.790 -9.214 9.843 1.00 1.61 N ATOM 0 H ARG A 170 4.370 -9.793 3.818 1.00 0.23 H new ATOM 0 HA ARG A 170 3.021 -7.267 3.455 1.00 0.20 H new ATOM 0 HB2 ARG A 170 5.712 -7.264 4.603 1.00 0.26 H new ATOM 0 HB3 ARG A 170 4.281 -6.363 5.062 1.00 0.26 H new ATOM 0 HG2 ARG A 170 3.871 -7.767 6.726 1.00 0.23 H new ATOM 0 HG3 ARG A 170 3.901 -9.150 5.649 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.256 -9.267 5.669 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.413 -7.650 6.326 1.00 0.39 H new ATOM 0 HE ARG A 170 5.376 -9.959 7.927 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.090 -6.878 7.643 1.00 1.39 H new ATOM 0 HH12 ARG A 170 7.788 -6.983 9.262 1.00 1.39 H new ATOM 0 HH21 ARG A 170 6.328 -10.111 9.992 1.00 1.61 H new ATOM 0 HH22 ARG A 170 7.359 -8.804 10.584 1.00 1.61 H new ATOM 1337 N ALA A 171 4.762 -6.173 2.064 1.00 0.17 N ATOM 1338 CA ALA A 171 5.646 -5.595 1.102 1.00 0.16 C ATOM 1339 C ALA A 171 6.284 -4.321 1.633 1.00 0.16 C ATOM 1340 O ALA A 171 5.785 -3.696 2.559 1.00 0.20 O ATOM 1341 CB ALA A 171 4.922 -5.342 -0.200 1.00 0.16 C ATOM 0 H ALA A 171 4.035 -5.543 2.404 1.00 0.17 H new ATOM 0 HA ALA A 171 6.449 -6.307 0.911 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.612 -4.902 -0.920 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.540 -6.284 -0.593 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.092 -4.657 -0.027 1.00 0.16 H new ATOM 1347 N ARG A 172 7.395 -3.958 1.028 1.00 0.16 N ATOM 1348 CA ARG A 172 8.165 -2.806 1.429 1.00 0.18 C ATOM 1349 C ARG A 172 7.985 -1.753 0.390 1.00 0.18 C ATOM 1350 O ARG A 172 8.564 -1.790 -0.695 1.00 0.22 O ATOM 1351 CB ARG A 172 9.633 -3.164 1.624 1.00 0.24 C ATOM 1352 CG ARG A 172 10.606 -1.992 1.564 1.00 0.79 C ATOM 1353 CD ARG A 172 10.533 -1.116 2.803 1.00 1.08 C ATOM 1354 NE ARG A 172 11.540 -0.052 2.768 1.00 1.97 N ATOM 1355 CZ ARG A 172 12.212 0.380 3.838 1.00 2.59 C ATOM 1356 NH1 ARG A 172 11.975 -0.138 5.034 1.00 2.48 N ATOM 1357 NH2 ARG A 172 13.119 1.339 3.710 1.00 3.69 N ATOM 0 H ARG A 172 7.791 -4.462 0.235 1.00 0.16 H new ATOM 0 HA ARG A 172 7.814 -2.434 2.392 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.744 -3.657 2.590 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.917 -3.889 0.861 1.00 0.24 H new ATOM 0 HG2 ARG A 172 11.621 -2.372 1.450 1.00 0.79 H new ATOM 0 HG3 ARG A 172 10.390 -1.389 0.682 1.00 0.79 H new ATOM 0 HD2 ARG A 172 9.539 -0.675 2.880 1.00 1.08 H new ATOM 0 HD3 ARG A 172 10.680 -1.729 3.692 1.00 1.08 H new ATOM 0 HE ARG A 172 11.740 0.387 1.869 1.00 1.97 H new ATOM 0 HH11 ARG A 172 11.275 -0.872 5.142 1.00 2.48 H new ATOM 0 HH12 ARG A 172 12.492 0.197 5.847 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.304 1.747 2.794 1.00 3.69 H new ATOM 0 HH22 ARG A 172 13.632 1.668 4.528 1.00 3.69 H new ATOM 1371 N LEU A 173 7.143 -0.843 0.737 1.00 0.20 N ATOM 1372 CA LEU A 173 6.664 0.137 -0.167 1.00 0.24 C ATOM 1373 C LEU A 173 7.515 1.397 -0.073 1.00 0.25 C ATOM 1374 O LEU A 173 7.523 2.087 0.929 1.00 0.48 O ATOM 1375 CB LEU A 173 5.214 0.383 0.188 1.00 0.37 C ATOM 1376 CG LEU A 173 4.784 1.803 0.046 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.473 2.115 -1.381 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.638 2.098 0.993 1.00 0.54 C ATOM 0 H LEU A 173 6.761 -0.760 1.679 1.00 0.20 H new ATOM 0 HA LEU A 173 6.732 -0.193 -1.203 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.585 -0.241 -0.447 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.044 0.064 1.216 1.00 0.37 H new ATOM 0 HG LEU A 173 5.601 2.467 0.330 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.161 3.156 -1.466 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.361 1.952 -1.991 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.670 1.466 -1.729 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.332 3.138 0.881 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.797 1.445 0.761 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.960 1.923 2.020 1.00 0.54 H new ATOM 1390 N THR A 174 8.226 1.696 -1.125 1.00 0.17 N ATOM 1391 CA THR A 174 9.230 2.729 -1.075 1.00 0.15 C ATOM 1392 C THR A 174 8.871 3.928 -1.913 1.00 0.13 C ATOM 1393 O THR A 174 8.203 3.810 -2.936 1.00 0.12 O ATOM 1394 CB THR A 174 10.576 2.174 -1.530 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.033 1.171 -0.613 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.573 3.297 -1.648 1.00 0.20 C ATOM 0 H THR A 174 8.130 1.239 -2.032 1.00 0.17 H new ATOM 0 HA THR A 174 9.291 3.061 -0.038 1.00 0.15 H new ATOM 0 HB THR A 174 10.464 1.707 -2.509 1.00 0.18 H new ATOM 0 HG1 THR A 174 11.897 0.821 -0.915 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.534 2.898 -1.973 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.217 4.025 -2.377 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.691 3.782 -0.679 1.00 0.20 H new ATOM 1404 N PHE A 175 9.327 5.085 -1.459 1.00 0.16 N ATOM 1405 CA PHE A 175 9.099 6.315 -2.145 1.00 0.17 C ATOM 1406 C PHE A 175 10.402 6.945 -2.627 1.00 0.19 C ATOM 1407 O PHE A 175 11.210 7.395 -1.826 1.00 0.32 O ATOM 1408 CB PHE A 175 8.421 7.269 -1.197 1.00 0.30 C ATOM 1409 CG PHE A 175 7.415 6.606 -0.329 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.226 6.145 -0.849 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.675 6.423 1.005 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.311 5.510 -0.053 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.768 5.793 1.809 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.579 5.332 1.279 1.00 0.15 C ATOM 0 H PHE A 175 9.867 5.181 -0.599 1.00 0.16 H new ATOM 0 HA PHE A 175 8.479 6.112 -3.018 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.174 7.747 -0.571 1.00 0.30 H new ATOM 0 HB3 PHE A 175 7.935 8.058 -1.770 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.013 6.286 -1.898 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.605 6.780 1.423 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.383 5.151 -0.473 1.00 0.17 H new ATOM 0 HE2 PHE A 175 6.981 5.655 2.859 1.00 0.22 H new ATOM 0 HZ PHE A 175 4.862 4.832 1.913 1.00 0.15 H new ATOM 1424 N ASP A 176 10.585 6.995 -3.930 1.00 0.16 N ATOM 1425 CA ASP A 176 11.786 7.599 -4.513 1.00 0.20 C ATOM 1426 C ASP A 176 11.478 8.991 -5.048 1.00 0.19 C ATOM 1427 O ASP A 176 10.976 9.147 -6.161 1.00 0.20 O ATOM 1428 CB ASP A 176 12.341 6.725 -5.644 1.00 0.29 C ATOM 1429 CG ASP A 176 13.512 7.364 -6.370 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.304 7.925 -7.469 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.647 7.303 -5.854 1.00 0.68 O ATOM 0 H ASP A 176 9.923 6.627 -4.613 1.00 0.16 H new ATOM 0 HA ASP A 176 12.537 7.676 -3.727 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.656 5.766 -5.233 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.545 6.519 -6.360 1.00 0.29 H new ATOM 1436 N GLY A 177 11.745 10.000 -4.244 1.00 0.21 N ATOM 1437 CA GLY A 177 11.635 11.362 -4.724 1.00 0.23 C ATOM 1438 C GLY A 177 10.236 11.913 -4.699 1.00 0.23 C ATOM 1439 O GLY A 177 9.639 12.109 -3.639 1.00 0.27 O ATOM 0 H GLY A 177 12.035 9.906 -3.271 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.276 12.002 -4.118 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.013 11.407 -5.745 1.00 0.23 H new ATOM 1443 N ASP A 178 9.725 12.165 -5.889 1.00 0.22 N ATOM 1444 CA ASP A 178 8.432 12.766 -6.081 1.00 0.26 C ATOM 1445 C ASP A 178 7.500 11.713 -6.536 1.00 0.23 C ATOM 1446 O ASP A 178 6.343 11.982 -6.839 1.00 0.25 O ATOM 1447 CB ASP A 178 8.504 13.829 -7.162 1.00 0.34 C ATOM 1448 CG ASP A 178 9.124 13.305 -8.448 1.00 1.10 C ATOM 1449 OD1 ASP A 178 10.318 12.935 -8.437 1.00 1.61 O ATOM 1450 OD2 ASP A 178 8.427 13.275 -9.483 1.00 1.34 O ATOM 0 H ASP A 178 10.210 11.952 -6.760 1.00 0.22 H new ATOM 0 HA ASP A 178 8.100 13.219 -5.147 1.00 0.26 H new ATOM 0 HB2 ASP A 178 7.501 14.200 -7.370 1.00 0.34 H new ATOM 0 HB3 ASP A 178 9.088 14.675 -6.798 1.00 0.34 H new ATOM 1455 N HIS A 179 8.011 10.502 -6.558 1.00 0.19 N ATOM 1456 CA HIS A 179 7.251 9.392 -7.040 1.00 0.17 C ATOM 1457 C HIS A 179 7.486 8.140 -6.237 1.00 0.13 C ATOM 1458 O HIS A 179 8.473 8.008 -5.521 1.00 0.13 O ATOM 1459 CB HIS A 179 7.590 9.154 -8.512 1.00 0.22 C ATOM 1460 CG HIS A 179 8.954 8.574 -8.771 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.189 7.220 -8.867 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.154 9.172 -8.949 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.472 7.012 -9.087 1.00 1.05 C ATOM 1464 NE2 HIS A 179 11.086 8.178 -9.141 1.00 0.45 N ATOM 0 H HIS A 179 8.954 10.270 -6.245 1.00 0.19 H new ATOM 0 HA HIS A 179 6.194 9.636 -6.933 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.842 8.485 -8.937 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.509 10.102 -9.045 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.480 6.491 -8.781 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.346 10.235 -8.942 1.00 0.93 H new ATOM 0 HE1 HIS A 179 10.942 6.047 -9.204 1.00 1.05 H new ATOM 1473 N LEU A 180 6.540 7.227 -6.361 1.00 0.13 N ATOM 1474 CA LEU A 180 6.657 5.936 -5.721 1.00 0.12 C ATOM 1475 C LEU A 180 7.793 5.173 -6.328 1.00 0.14 C ATOM 1476 O LEU A 180 7.955 5.126 -7.546 1.00 0.22 O ATOM 1477 CB LEU A 180 5.378 5.121 -5.861 1.00 0.17 C ATOM 1478 CG LEU A 180 5.187 4.097 -4.759 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.418 4.768 -3.434 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.803 3.497 -4.813 1.00 0.20 C ATOM 0 H LEU A 180 5.684 7.358 -6.899 1.00 0.13 H new ATOM 0 HA LEU A 180 6.840 6.107 -4.660 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.524 5.799 -5.868 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.387 4.609 -6.823 1.00 0.17 H new ATOM 0 HG LEU A 180 5.902 3.285 -4.892 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.284 4.043 -2.631 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.433 5.165 -3.399 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.705 5.583 -3.310 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.692 2.766 -4.012 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.060 4.285 -4.691 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.656 3.006 -5.775 1.00 0.20 H new ATOM 1492 N ALA A 181 8.576 4.590 -5.460 1.00 0.12 N ATOM 1493 CA ALA A 181 9.752 3.905 -5.865 1.00 0.13 C ATOM 1494 C ALA A 181 9.447 2.474 -6.238 1.00 0.14 C ATOM 1495 O ALA A 181 9.868 1.983 -7.286 1.00 0.15 O ATOM 1496 CB ALA A 181 10.736 3.948 -4.735 1.00 0.13 C ATOM 0 H ALA A 181 8.408 4.582 -4.454 1.00 0.12 H new ATOM 0 HA ALA A 181 10.168 4.391 -6.747 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.648 3.426 -5.026 1.00 0.13 H new ATOM 0 HB2 ALA A 181 10.972 4.985 -4.497 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.305 3.464 -3.859 1.00 0.13 H new ATOM 1502 N THR A 182 8.708 1.812 -5.362 1.00 0.15 N ATOM 1503 CA THR A 182 8.418 0.405 -5.514 1.00 0.18 C ATOM 1504 C THR A 182 7.649 -0.103 -4.325 1.00 0.17 C ATOM 1505 O THR A 182 7.399 0.625 -3.366 1.00 0.16 O ATOM 1506 CB THR A 182 9.715 -0.415 -5.611 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.454 -1.735 -6.112 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.347 -0.497 -4.230 1.00 0.24 C ATOM 0 H THR A 182 8.296 2.237 -4.531 1.00 0.15 H new ATOM 0 HA THR A 182 7.833 0.292 -6.427 1.00 0.18 H new ATOM 0 HB THR A 182 10.396 0.076 -6.306 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.294 -2.236 -6.166 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.268 -1.077 -4.285 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.571 0.508 -3.872 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.655 -0.981 -3.541 1.00 0.24 H new ATOM 1516 N ILE A 183 7.312 -1.363 -4.409 1.00 0.20 N ATOM 1517 CA ILE A 183 6.662 -2.091 -3.363 1.00 0.18 C ATOM 1518 C ILE A 183 7.114 -3.534 -3.480 1.00 0.20 C ATOM 1519 O ILE A 183 6.968 -4.145 -4.538 1.00 0.28 O ATOM 1520 CB ILE A 183 5.145 -2.018 -3.486 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.691 -0.633 -3.058 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.509 -3.118 -2.663 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.355 0.283 -4.204 1.00 0.20 C ATOM 0 H ILE A 183 7.491 -1.927 -5.240 1.00 0.20 H new ATOM 0 HA ILE A 183 6.926 -1.662 -2.396 1.00 0.18 H new ATOM 0 HB ILE A 183 4.830 -2.174 -4.518 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.815 -0.731 -2.416 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.476 -0.174 -2.458 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.424 -3.060 -2.755 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.853 -4.087 -3.024 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.791 -2.999 -1.617 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.040 1.251 -3.815 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.234 0.414 -4.835 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.547 -0.152 -4.793 1.00 0.20 H new ATOM 1535 N VAL A 184 7.693 -4.066 -2.432 1.00 0.21 N ATOM 1536 CA VAL A 184 8.343 -5.359 -2.515 1.00 0.24 C ATOM 1537 C VAL A 184 7.851 -6.314 -1.460 1.00 0.23 C ATOM 1538 O VAL A 184 7.981 -6.016 -0.291 1.00 0.22 O ATOM 1539 CB VAL A 184 9.842 -5.200 -2.307 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.506 -6.550 -2.299 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.435 -4.312 -3.377 1.00 0.34 C ATOM 0 H VAL A 184 7.730 -3.628 -1.511 1.00 0.21 H new ATOM 0 HA VAL A 184 8.111 -5.759 -3.502 1.00 0.24 H new ATOM 0 HB VAL A 184 10.016 -4.724 -1.342 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.579 -6.427 -2.150 1.00 0.33 H new ATOM 0 HG12 VAL A 184 10.094 -7.153 -1.490 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.327 -7.049 -3.251 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.508 -4.210 -3.212 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.259 -4.756 -4.357 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.966 -3.329 -3.335 1.00 0.34 H new ATOM 1551 N ASN A 185 7.353 -7.476 -1.860 1.00 0.29 N ATOM 1552 CA ASN A 185 6.956 -8.494 -0.892 1.00 0.32 C ATOM 1553 C ASN A 185 8.149 -8.880 -0.054 1.00 0.33 C ATOM 1554 O ASN A 185 8.924 -9.749 -0.405 1.00 0.40 O ATOM 1555 CB ASN A 185 6.356 -9.719 -1.588 1.00 0.44 C ATOM 1556 CG ASN A 185 4.881 -9.549 -1.899 1.00 0.98 C ATOM 1557 OD1 ASN A 185 4.383 -8.431 -2.012 1.00 1.64 O ATOM 1558 ND2 ASN A 185 4.179 -10.659 -2.058 1.00 1.57 N ATOM 0 H ASN A 185 7.215 -7.737 -2.836 1.00 0.29 H new ATOM 0 HA ASN A 185 6.183 -8.081 -0.244 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.899 -9.909 -2.514 1.00 0.44 H new ATOM 0 HB3 ASN A 185 6.491 -10.595 -0.954 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.186 -10.606 -2.283 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.631 -11.568 -1.955 1.00 1.57 H new ATOM 1565 N MET A 186 8.222 -8.198 1.075 1.00 0.31 N ATOM 1566 CA MET A 186 9.317 -8.211 2.027 1.00 0.36 C ATOM 1567 C MET A 186 9.837 -9.575 2.284 1.00 0.43 C ATOM 1568 O MET A 186 11.038 -9.792 2.446 1.00 0.53 O ATOM 1569 CB MET A 186 8.791 -7.638 3.327 1.00 0.36 C ATOM 1570 CG MET A 186 8.709 -6.132 3.353 1.00 0.34 C ATOM 1571 SD MET A 186 10.309 -5.368 3.695 1.00 0.94 S ATOM 1572 CE MET A 186 10.585 -5.881 5.392 1.00 1.42 C ATOM 0 H MET A 186 7.467 -7.579 1.370 1.00 0.31 H new ATOM 0 HA MET A 186 10.140 -7.627 1.616 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.799 -8.048 3.516 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.433 -7.969 4.143 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.335 -5.774 2.394 1.00 0.34 H new ATOM 0 HG3 MET A 186 7.991 -5.822 4.112 1.00 0.34 H new ATOM 0 HE1 MET A 186 11.253 -5.172 5.882 1.00 1.42 H new ATOM 0 HE2 MET A 186 9.633 -5.910 5.923 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.037 -6.873 5.403 1.00 1.42 H new ATOM 1582 N GLU A 187 8.918 -10.476 2.321 1.00 0.43 N ATOM 1583 CA GLU A 187 9.191 -11.803 2.697 1.00 0.51 C ATOM 1584 C GLU A 187 10.142 -12.458 1.732 1.00 0.59 C ATOM 1585 O GLU A 187 11.051 -13.195 2.113 1.00 0.68 O ATOM 1586 CB GLU A 187 7.883 -12.529 2.741 1.00 0.50 C ATOM 1587 CG GLU A 187 6.771 -11.641 3.262 1.00 0.42 C ATOM 1588 CD GLU A 187 5.715 -12.385 4.052 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.930 -11.730 4.769 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.674 -13.630 3.963 1.00 0.67 O ATOM 0 H GLU A 187 7.941 -10.300 2.085 1.00 0.43 H new ATOM 0 HA GLU A 187 9.675 -11.829 3.673 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.629 -12.883 1.742 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.976 -13.409 3.378 1.00 0.50 H new ATOM 0 HG2 GLU A 187 7.204 -10.865 3.893 1.00 0.42 H new ATOM 0 HG3 GLU A 187 6.295 -11.139 2.420 1.00 0.42 H new ATOM 1597 N ASN A 188 9.910 -12.168 0.484 1.00 0.58 N ATOM 1598 CA ASN A 188 10.734 -12.695 -0.582 1.00 0.67 C ATOM 1599 C ASN A 188 11.724 -11.659 -1.083 1.00 0.64 C ATOM 1600 O ASN A 188 12.836 -11.997 -1.487 1.00 0.74 O ATOM 1601 CB ASN A 188 9.859 -13.207 -1.733 1.00 0.73 C ATOM 1602 CG ASN A 188 10.658 -13.861 -2.845 1.00 1.45 C ATOM 1603 OD1 ASN A 188 11.110 -13.198 -3.775 1.00 2.36 O ATOM 1604 ND2 ASN A 188 10.814 -15.171 -2.765 1.00 1.95 N ATOM 0 H ASN A 188 9.150 -11.564 0.171 1.00 0.58 H new ATOM 0 HA ASN A 188 11.306 -13.531 -0.179 1.00 0.67 H new ATOM 0 HB2 ASN A 188 9.138 -13.925 -1.342 1.00 0.73 H new ATOM 0 HB3 ASN A 188 9.288 -12.375 -2.145 1.00 0.73 H new ATOM 0 HD21 ASN A 188 11.326 -15.669 -3.493 1.00 1.95 H new ATOM 0 HD22 ASN A 188 10.422 -15.684 -1.975 1.00 1.95 H new ATOM 1611 N ASN A 189 11.300 -10.392 -0.990 1.00 0.53 N ATOM 1612 CA ASN A 189 12.065 -9.221 -1.392 1.00 0.52 C ATOM 1613 C ASN A 189 12.886 -9.407 -2.670 1.00 0.61 C ATOM 1614 O ASN A 189 13.922 -8.769 -2.858 1.00 0.71 O ATOM 1615 CB ASN A 189 12.881 -8.730 -0.197 1.00 0.59 C ATOM 1616 CG ASN A 189 14.099 -9.570 0.178 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.768 -10.167 -0.663 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.396 -9.610 1.468 1.00 1.74 N ATOM 0 H ASN A 189 10.381 -10.154 -0.618 1.00 0.53 H new ATOM 0 HA ASN A 189 11.361 -8.440 -1.680 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.216 -7.714 -0.405 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.222 -8.677 0.669 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.201 -10.148 1.790 1.00 1.74 H new ATOM 0 HD22 ASN A 189 13.820 -9.103 2.140 1.00 1.74 H new