USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=17 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 -132:sc= 0.815 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 1.13 USER MOD Set 2.1: A 121 LYS NZ :NH3+ -179:sc= 0.00617 (180deg=-0.0424) USER MOD Set 2.2: A 150 ASN : amide:sc= -0.025 K(o=-0.019,f=-4.6!) USER MOD Set 3.1: A 139 MET CE :methyl -167:sc= -1.05 (180deg=-1.15) USER MOD Set 3.2: A 146 THR OG1 : rot 127:sc= -1.47! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.052 USER MOD Single : A 120 SER OG : rot 76:sc= 1.25 USER MOD Single : A 122 ASN : amide:sc= -0.0079 K(o=-0.0079,f=-0.99) USER MOD Single : A 124 MET CE :methyl 151:sc= -0.0215 (180deg=-0.736) USER MOD Single : A 126 LYS NZ :NH3+ 148:sc= -1.64! (180deg=-3.72!) USER MOD Single : A 131 THR OG1 : rot -39:sc= 0.145 USER MOD Single : A 132 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.2) USER MOD Single : A 133 TYR OH : rot 77:sc= -5.3! USER MOD Single : A 135 GLN : amide:sc= -2.64! K(o=-2.6!,f=-0.23) 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 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.041) USER MOD Single : A 154 MET CE :methyl -158:sc=-0.00901 (180deg=-0.72) USER MOD Single : A 179 HIS : no HE2:sc= 0.861 K(o=0.86,f=-2.9!) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 185 ASN : amide:sc= -0.0513 K(o=-0.051,f=-2.5!) USER MOD Single : A 186 MET CE :methyl 163:sc= -1.73! (180deg=-3.05!) USER MOD Single : A 188 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.12) USER MOD Single : A 189 ASN : amide:sc= 0.211 X(o=0.21,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.104 8.440 -7.926 1.00 0.27 N ATOM 468 CA THR A 118 4.162 9.409 -7.822 1.00 0.26 C ATOM 469 C THR A 118 3.877 10.311 -6.643 1.00 0.25 C ATOM 470 O THR A 118 3.023 11.193 -6.710 1.00 0.32 O ATOM 471 CB THR A 118 4.279 10.232 -9.107 1.00 0.30 C ATOM 472 OG1 THR A 118 4.824 9.430 -10.163 1.00 0.32 O ATOM 473 CG2 THR A 118 5.103 11.509 -8.926 1.00 0.32 C ATOM 0 HA THR A 118 5.111 8.893 -7.674 1.00 0.26 H new ATOM 0 HB THR A 118 3.270 10.547 -9.372 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.892 9.967 -10.980 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.150 12.049 -9.872 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.635 12.140 -8.170 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.112 11.249 -8.607 1.00 0.32 H new ATOM 481 N ILE A 119 4.547 10.043 -5.545 1.00 0.19 N ATOM 482 CA ILE A 119 4.293 10.751 -4.328 1.00 0.18 C ATOM 483 C ILE A 119 5.570 11.218 -3.665 1.00 0.19 C ATOM 484 O ILE A 119 6.663 10.758 -3.959 1.00 0.20 O ATOM 485 CB ILE A 119 3.638 9.845 -3.329 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.668 8.907 -2.806 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.517 9.079 -3.904 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.301 8.420 -1.485 1.00 0.17 C ATOM 0 H ILE A 119 5.276 9.333 -5.478 1.00 0.19 H new ATOM 0 HA ILE A 119 3.665 11.599 -4.601 1.00 0.18 H new ATOM 0 HB ILE A 119 3.221 10.462 -2.533 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.781 8.066 -3.490 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.634 9.410 -2.758 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.081 8.440 -3.136 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.759 9.768 -4.277 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.881 8.462 -4.725 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.069 7.736 -1.123 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.212 9.262 -0.798 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.347 7.897 -1.542 1.00 0.17 H new ATOM 500 N SER A 120 5.372 11.988 -2.647 1.00 0.21 N ATOM 501 CA SER A 120 6.458 12.672 -1.975 1.00 0.28 C ATOM 502 C SER A 120 6.572 12.190 -0.534 1.00 0.28 C ATOM 503 O SER A 120 5.734 11.415 -0.067 1.00 0.25 O ATOM 504 CB SER A 120 6.224 14.183 -2.016 1.00 0.36 C ATOM 505 OG SER A 120 5.945 14.617 -3.336 1.00 1.29 O ATOM 0 H SER A 120 4.452 12.170 -2.246 1.00 0.21 H new ATOM 0 HA SER A 120 7.393 12.447 -2.489 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.393 14.444 -1.360 1.00 0.36 H new ATOM 0 HB3 SER A 120 7.105 14.702 -1.637 1.00 0.36 H new ATOM 0 HG SER A 120 5.023 14.380 -3.570 1.00 1.29 H new ATOM 511 N LYS A 121 7.606 12.649 0.156 1.00 0.35 N ATOM 512 CA LYS A 121 7.854 12.259 1.551 1.00 0.40 C ATOM 513 C LYS A 121 6.608 12.399 2.432 1.00 0.36 C ATOM 514 O LYS A 121 6.198 11.453 3.100 1.00 0.38 O ATOM 515 CB LYS A 121 8.999 13.086 2.142 1.00 0.50 C ATOM 516 CG LYS A 121 10.360 12.799 1.520 1.00 1.34 C ATOM 517 CD LYS A 121 10.733 11.326 1.630 1.00 1.71 C ATOM 518 CE LYS A 121 10.741 10.852 3.076 1.00 2.46 C ATOM 519 NZ LYS A 121 11.767 11.552 3.889 1.00 3.26 N ATOM 0 H LYS A 121 8.296 13.297 -0.224 1.00 0.35 H new ATOM 0 HA LYS A 121 8.129 11.204 1.537 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.770 14.144 2.017 1.00 0.50 H new ATOM 0 HB3 LYS A 121 9.054 12.896 3.214 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.350 13.094 0.471 1.00 1.34 H new ATOM 0 HG3 LYS A 121 11.120 13.404 2.014 1.00 1.34 H new ATOM 0 HD2 LYS A 121 10.026 10.728 1.055 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.717 11.166 1.190 1.00 1.71 H new ATOM 0 HE2 LYS A 121 9.757 11.016 3.516 1.00 2.46 H new ATOM 0 HE3 LYS A 121 10.928 9.778 3.104 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 11.748 11.186 4.862 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 12.708 11.389 3.476 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 11.565 12.572 3.899 1.00 3.26 H new ATOM 533 N ASN A 122 6.011 13.576 2.428 1.00 0.37 N ATOM 534 CA ASN A 122 4.815 13.836 3.214 1.00 0.37 C ATOM 535 C ASN A 122 3.596 13.359 2.481 1.00 0.30 C ATOM 536 O ASN A 122 2.532 13.194 3.078 1.00 0.29 O ATOM 537 CB ASN A 122 4.679 15.323 3.543 1.00 0.48 C ATOM 538 CG ASN A 122 5.733 15.811 4.517 1.00 1.22 C ATOM 539 OD1 ASN A 122 6.221 15.053 5.355 1.00 2.17 O ATOM 540 ND2 ASN A 122 6.096 17.081 4.415 1.00 1.64 N ATOM 0 H ASN A 122 6.337 14.375 1.884 1.00 0.37 H new ATOM 0 HA ASN A 122 4.906 13.288 4.152 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.747 15.901 2.622 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.690 15.508 3.963 1.00 0.48 H new ATOM 0 HD21 ASN A 122 6.803 17.461 5.044 1.00 1.64 H new ATOM 0 HD22 ASN A 122 5.669 17.678 3.707 1.00 1.64 H new ATOM 547 N GLU A 123 3.742 13.120 1.187 1.00 0.27 N ATOM 548 CA GLU A 123 2.634 12.679 0.409 1.00 0.25 C ATOM 549 C GLU A 123 2.209 11.320 0.845 1.00 0.21 C ATOM 550 O GLU A 123 1.075 10.949 0.706 1.00 0.26 O ATOM 551 CB GLU A 123 2.912 12.700 -1.067 1.00 0.27 C ATOM 552 CG GLU A 123 2.090 13.740 -1.774 1.00 0.30 C ATOM 553 CD GLU A 123 2.250 13.713 -3.279 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.259 14.249 -3.781 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.374 13.141 -3.963 1.00 0.50 O ATOM 0 H GLU A 123 4.616 13.228 0.672 1.00 0.27 H new ATOM 0 HA GLU A 123 1.821 13.385 0.581 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.971 12.897 -1.235 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.700 11.719 -1.491 1.00 0.27 H new ATOM 0 HG2 GLU A 123 1.039 13.592 -1.525 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.370 14.726 -1.404 1.00 0.30 H new ATOM 562 N MET A 124 3.097 10.592 1.428 1.00 0.19 N ATOM 563 CA MET A 124 2.718 9.292 1.889 1.00 0.20 C ATOM 564 C MET A 124 2.126 9.388 3.263 1.00 0.17 C ATOM 565 O MET A 124 1.240 8.627 3.616 1.00 0.16 O ATOM 566 CB MET A 124 3.870 8.294 1.846 1.00 0.27 C ATOM 567 CG MET A 124 5.073 8.643 2.718 1.00 1.21 C ATOM 568 SD MET A 124 4.832 8.232 4.459 1.00 2.28 S ATOM 569 CE MET A 124 6.460 8.574 5.119 1.00 3.06 C ATOM 0 H MET A 124 4.067 10.860 1.596 1.00 0.19 H new ATOM 0 HA MET A 124 1.962 8.907 1.205 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.494 7.317 2.150 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.207 8.198 0.814 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.950 8.114 2.345 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.281 9.709 2.628 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.374 8.872 6.164 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.077 7.679 5.047 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.922 9.380 4.549 1.00 3.06 H new ATOM 579 N VAL A 125 2.579 10.382 3.997 1.00 0.20 N ATOM 580 CA VAL A 125 2.181 10.567 5.373 1.00 0.22 C ATOM 581 C VAL A 125 0.696 10.815 5.494 1.00 0.21 C ATOM 582 O VAL A 125 0.058 10.516 6.500 1.00 0.23 O ATOM 583 CB VAL A 125 2.946 11.740 5.985 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.118 12.422 7.059 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.275 11.254 6.527 1.00 0.32 C ATOM 0 H VAL A 125 3.234 11.085 3.654 1.00 0.20 H new ATOM 0 HA VAL A 125 2.417 9.650 5.912 1.00 0.22 H new ATOM 0 HB VAL A 125 3.142 12.483 5.212 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.683 13.254 7.480 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.192 12.796 6.622 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.884 11.706 7.847 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.819 12.092 6.963 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.101 10.497 7.292 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.863 10.823 5.717 1.00 0.32 H new ATOM 595 N LYS A 126 0.179 11.425 4.487 1.00 0.20 N ATOM 596 CA LYS A 126 -1.238 11.565 4.342 1.00 0.20 C ATOM 597 C LYS A 126 -1.824 10.284 3.795 1.00 0.16 C ATOM 598 O LYS A 126 -2.840 9.840 4.269 1.00 0.19 O ATOM 599 CB LYS A 126 -1.501 12.694 3.388 1.00 0.24 C ATOM 600 CG LYS A 126 -0.925 12.373 2.035 1.00 0.32 C ATOM 601 CD LYS A 126 -0.127 13.456 1.385 1.00 0.39 C ATOM 602 CE LYS A 126 -0.863 14.777 1.261 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.907 15.545 2.537 1.00 1.51 N ATOM 0 H LYS A 126 0.724 11.845 3.734 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.698 11.774 5.308 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.574 12.866 3.303 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.060 13.614 3.771 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.291 11.492 2.133 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.745 12.104 1.369 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.787 13.614 1.958 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.173 13.125 0.391 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.380 15.384 0.495 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.882 14.588 0.923 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -0.900 16.564 2.329 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.774 15.304 3.058 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.077 15.304 3.116 1.00 1.51 H new ATOM 617 N LEU A 127 -1.154 9.690 2.812 1.00 0.15 N ATOM 618 CA LEU A 127 -1.663 8.539 2.116 1.00 0.19 C ATOM 619 C LEU A 127 -1.914 7.382 2.976 1.00 0.20 C ATOM 620 O LEU A 127 -2.889 6.710 2.740 1.00 0.24 O ATOM 621 CB LEU A 127 -0.773 8.132 1.002 1.00 0.25 C ATOM 622 CG LEU A 127 -1.288 8.658 -0.314 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.211 9.416 -1.079 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.896 7.533 -1.113 1.00 0.40 C ATOM 0 H LEU A 127 -0.241 10.003 2.483 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.626 8.865 1.722 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.235 8.508 1.180 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.706 7.045 0.963 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.075 9.386 -0.120 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.621 9.779 -2.021 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.132 10.262 -0.483 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.628 8.751 -1.281 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.266 7.920 -2.063 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.140 6.771 -1.302 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.722 7.094 -0.553 1.00 0.40 H new ATOM 636 N LEU A 128 -1.087 7.107 3.958 1.00 0.18 N ATOM 637 CA LEU A 128 -1.433 6.001 4.779 1.00 0.24 C ATOM 638 C LEU A 128 -2.760 6.304 5.478 1.00 0.26 C ATOM 639 O LEU A 128 -3.647 5.473 5.538 1.00 0.32 O ATOM 640 CB LEU A 128 -0.322 5.532 5.755 1.00 0.28 C ATOM 641 CG LEU A 128 0.515 6.554 6.512 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.749 6.889 5.763 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.242 7.782 6.749 1.00 0.21 C ATOM 0 H LEU A 128 -0.227 7.604 4.189 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.552 5.135 4.127 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.794 4.888 6.497 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.367 4.909 5.185 1.00 0.28 H new ATOM 0 HG LEU A 128 0.782 6.105 7.468 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.329 7.621 6.326 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.344 5.987 5.620 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.483 7.306 4.792 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.380 8.494 7.291 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.541 8.215 5.794 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.130 7.554 7.338 1.00 0.21 H new ATOM 655 N GLU A 129 -2.922 7.537 5.902 1.00 0.23 N ATOM 656 CA GLU A 129 -4.130 7.984 6.560 1.00 0.28 C ATOM 657 C GLU A 129 -5.241 8.016 5.558 1.00 0.25 C ATOM 658 O GLU A 129 -6.416 7.797 5.850 1.00 0.31 O ATOM 659 CB GLU A 129 -3.890 9.371 7.073 1.00 0.32 C ATOM 660 CG GLU A 129 -2.648 9.428 7.916 1.00 0.44 C ATOM 661 CD GLU A 129 -2.643 8.402 9.039 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.732 7.918 9.418 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.554 8.124 9.589 1.00 2.23 O ATOM 0 H GLU A 129 -2.214 8.264 5.799 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.395 7.316 7.379 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.796 10.061 6.235 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.748 9.698 7.661 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.777 9.267 7.281 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.551 10.426 8.343 1.00 0.44 H new ATOM 670 N ALA A 130 -4.807 8.281 4.356 1.00 0.21 N ATOM 671 CA ALA A 130 -5.667 8.480 3.240 1.00 0.25 C ATOM 672 C ALA A 130 -6.054 7.137 2.639 1.00 0.28 C ATOM 673 O ALA A 130 -6.910 7.051 1.757 1.00 0.33 O ATOM 674 CB ALA A 130 -4.953 9.353 2.216 1.00 0.26 C ATOM 0 H ALA A 130 -3.816 8.365 4.128 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.581 8.982 3.556 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.604 9.512 1.356 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.706 10.314 2.666 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.037 8.858 1.892 1.00 0.26 H new ATOM 680 N THR A 131 -5.412 6.086 3.144 1.00 0.26 N ATOM 681 CA THR A 131 -5.609 4.752 2.646 1.00 0.29 C ATOM 682 C THR A 131 -6.093 3.861 3.790 1.00 0.29 C ATOM 683 O THR A 131 -6.362 2.668 3.622 1.00 0.33 O ATOM 684 CB THR A 131 -4.309 4.209 2.009 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.557 2.984 1.306 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.262 3.982 3.072 1.00 0.28 C ATOM 0 H THR A 131 -4.742 6.149 3.911 1.00 0.26 H new ATOM 0 HA THR A 131 -6.367 4.759 1.863 1.00 0.29 H new ATOM 0 HB THR A 131 -3.946 4.951 1.298 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.194 2.439 1.814 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.352 3.600 2.610 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.045 4.924 3.576 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.632 3.258 3.798 1.00 0.28 H new ATOM 694 N GLN A 132 -6.197 4.505 4.954 1.00 0.25 N ATOM 695 CA GLN A 132 -6.610 3.897 6.215 1.00 0.25 C ATOM 696 C GLN A 132 -5.550 2.966 6.792 1.00 0.21 C ATOM 697 O GLN A 132 -5.786 1.779 7.019 1.00 0.23 O ATOM 698 CB GLN A 132 -7.951 3.187 6.104 1.00 0.32 C ATOM 699 CG GLN A 132 -9.118 4.130 5.852 1.00 0.41 C ATOM 700 CD GLN A 132 -9.329 5.117 6.987 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.065 4.842 7.935 1.00 2.19 O ATOM 702 NE2 GLN A 132 -8.698 6.277 6.896 1.00 2.15 N ATOM 0 H GLN A 132 -5.988 5.499 5.045 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.731 4.724 6.914 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.902 2.459 5.295 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.136 2.631 7.023 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.943 4.679 4.927 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -10.027 3.546 5.710 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -8.096 6.469 6.095 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -8.814 6.979 7.627 1.00 2.15 H new ATOM 711 N TYR A 133 -4.389 3.538 7.014 1.00 0.17 N ATOM 712 CA TYR A 133 -3.257 2.883 7.593 1.00 0.15 C ATOM 713 C TYR A 133 -2.449 3.966 8.276 1.00 0.15 C ATOM 714 O TYR A 133 -2.454 5.105 7.858 1.00 0.18 O ATOM 715 CB TYR A 133 -2.458 2.103 6.539 1.00 0.16 C ATOM 716 CG TYR A 133 -0.954 2.326 6.539 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.256 2.216 7.728 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.217 2.649 5.388 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.100 2.413 7.776 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.118 2.829 5.441 1.00 0.25 C ATOM 721 CZ TYR A 133 1.774 2.750 6.457 1.00 0.19 C ATOM 722 OH TYR A 133 3.125 2.908 6.658 1.00 0.27 O ATOM 0 H TYR A 133 -4.208 4.515 6.783 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.555 2.128 8.320 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.647 1.039 6.683 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.844 2.364 5.554 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.789 1.971 8.635 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.729 2.755 4.443 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.657 2.333 8.698 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.635 3.058 4.521 1.00 0.25 H new ATOM 0 HH TYR A 133 3.548 2.028 6.745 1.00 0.27 H new ATOM 732 N ARG A 134 -1.811 3.645 9.353 1.00 0.15 N ATOM 733 CA ARG A 134 -1.116 4.633 10.128 1.00 0.18 C ATOM 734 C ARG A 134 0.142 3.989 10.657 1.00 0.19 C ATOM 735 O ARG A 134 0.226 2.762 10.657 1.00 0.18 O ATOM 736 CB ARG A 134 -2.021 5.044 11.263 1.00 0.18 C ATOM 737 CG ARG A 134 -3.460 5.222 10.816 1.00 0.22 C ATOM 738 CD ARG A 134 -4.185 3.889 10.803 1.00 0.25 C ATOM 739 NE ARG A 134 -4.770 3.561 12.103 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.832 2.330 12.610 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.422 1.288 11.899 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.331 2.136 13.822 1.00 0.49 N ATOM 0 H ARG A 134 -1.754 2.697 9.724 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.854 5.513 9.540 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.978 4.291 12.050 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.659 5.977 11.694 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.971 5.914 11.486 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.485 5.665 9.820 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.972 3.914 10.049 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.489 3.102 10.512 1.00 0.25 H new ATOM 0 HE ARG A 134 -5.156 4.325 12.658 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.056 1.426 10.957 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.473 0.349 12.294 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.668 2.929 14.368 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.378 1.194 14.209 1.00 0.49 H new ATOM 756 N GLN A 135 1.107 4.776 11.097 1.00 0.22 N ATOM 757 CA GLN A 135 2.352 4.226 11.589 1.00 0.25 C ATOM 758 C GLN A 135 2.142 3.145 12.598 1.00 0.24 C ATOM 759 O GLN A 135 1.206 3.170 13.403 1.00 0.30 O ATOM 760 CB GLN A 135 3.235 5.295 12.211 1.00 0.35 C ATOM 761 CG GLN A 135 4.542 4.738 12.747 1.00 0.88 C ATOM 762 CD GLN A 135 5.698 5.724 12.709 1.00 1.36 C ATOM 763 OE1 GLN A 135 6.621 5.630 13.515 1.00 1.87 O ATOM 764 NE2 GLN A 135 5.655 6.682 11.794 1.00 1.96 N ATOM 0 H GLN A 135 1.051 5.794 11.123 1.00 0.22 H new ATOM 0 HA GLN A 135 2.845 3.803 10.714 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.450 6.061 11.466 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.693 5.782 13.022 1.00 0.35 H new ATOM 0 HG2 GLN A 135 4.391 4.411 13.776 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.813 3.855 12.169 1.00 0.88 H new ATOM 0 HE21 GLN A 135 4.873 6.729 11.141 1.00 1.96 H new ATOM 0 HE22 GLN A 135 6.404 7.372 11.743 1.00 1.96 H new ATOM 773 N VAL A 136 3.054 2.206 12.561 1.00 0.23 N ATOM 774 CA VAL A 136 2.935 1.057 13.369 1.00 0.24 C ATOM 775 C VAL A 136 4.243 0.708 14.061 1.00 0.27 C ATOM 776 O VAL A 136 5.329 1.009 13.562 1.00 0.27 O ATOM 777 CB VAL A 136 2.417 -0.122 12.511 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.836 -1.476 13.043 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.919 -0.050 12.377 1.00 0.20 C ATOM 0 H VAL A 136 3.885 2.231 11.971 1.00 0.23 H new ATOM 0 HA VAL A 136 2.216 1.265 14.162 1.00 0.24 H new ATOM 0 HB VAL A 136 2.878 -0.020 11.529 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.441 -2.259 12.396 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.924 -1.538 13.064 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.445 -1.607 14.052 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.567 -0.885 11.771 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.462 -0.101 13.365 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.641 0.889 11.897 1.00 0.20 H new ATOM 789 N SER A 137 4.110 0.093 15.221 1.00 0.31 N ATOM 790 CA SER A 137 5.234 -0.427 15.971 1.00 0.35 C ATOM 791 C SER A 137 5.995 -1.472 15.190 1.00 0.33 C ATOM 792 O SER A 137 7.216 -1.408 15.037 1.00 0.35 O ATOM 793 CB SER A 137 4.676 -1.088 17.206 1.00 0.39 C ATOM 794 OG SER A 137 4.336 -0.137 18.202 1.00 0.73 O ATOM 0 H SER A 137 3.208 -0.060 15.672 1.00 0.31 H new ATOM 0 HA SER A 137 5.916 0.392 16.200 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.792 -1.668 16.940 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.409 -1.788 17.607 1.00 0.39 H new ATOM 0 HG SER A 137 3.976 -0.600 18.987 1.00 0.73 H new ATOM 800 N LYS A 138 5.243 -2.412 14.683 1.00 0.30 N ATOM 801 CA LYS A 138 5.776 -3.536 13.973 1.00 0.30 C ATOM 802 C LYS A 138 4.727 -4.062 13.045 1.00 0.27 C ATOM 803 O LYS A 138 3.668 -4.537 13.460 1.00 0.28 O ATOM 804 CB LYS A 138 6.197 -4.598 14.936 1.00 0.35 C ATOM 805 CG LYS A 138 5.119 -4.921 15.921 1.00 0.37 C ATOM 806 CD LYS A 138 5.505 -6.092 16.802 1.00 0.43 C ATOM 807 CE LYS A 138 5.814 -7.317 15.960 1.00 0.44 C ATOM 808 NZ LYS A 138 6.230 -8.478 16.790 1.00 0.51 N ATOM 0 H LYS A 138 4.226 -2.415 14.755 1.00 0.30 H new ATOM 0 HA LYS A 138 6.650 -3.229 13.399 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.467 -5.499 14.386 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.089 -4.270 15.470 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.918 -4.048 16.542 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.196 -5.153 15.389 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.375 -5.829 17.404 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.694 -6.316 17.495 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.934 -7.586 15.377 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.606 -7.078 15.250 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.431 -9.291 16.174 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.085 -8.232 17.328 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.465 -8.725 17.450 1.00 0.51 H new ATOM 822 N MET A 139 5.002 -3.931 11.793 1.00 0.25 N ATOM 823 CA MET A 139 4.005 -4.146 10.806 1.00 0.25 C ATOM 824 C MET A 139 3.720 -5.619 10.597 1.00 0.26 C ATOM 825 O MET A 139 4.455 -6.373 9.958 1.00 0.30 O ATOM 826 CB MET A 139 4.435 -3.447 9.534 1.00 0.33 C ATOM 827 CG MET A 139 5.461 -4.189 8.702 1.00 0.70 C ATOM 828 SD MET A 139 6.875 -4.815 9.656 1.00 2.16 S ATOM 829 CE MET A 139 7.891 -3.352 9.831 1.00 2.71 C ATOM 0 H MET A 139 5.919 -3.673 11.428 1.00 0.25 H new ATOM 0 HA MET A 139 3.059 -3.720 11.141 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.552 -3.271 8.920 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.841 -2.470 9.796 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.973 -5.027 8.204 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.829 -3.524 7.920 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.881 -3.637 10.186 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.981 -2.854 8.866 1.00 2.71 H new ATOM 0 HE3 MET A 139 7.430 -2.672 10.548 1.00 2.71 H new ATOM 839 N THR A 140 2.653 -6.031 11.201 1.00 0.25 N ATOM 840 CA THR A 140 2.017 -7.245 10.815 1.00 0.26 C ATOM 841 C THR A 140 0.603 -7.231 11.284 1.00 0.27 C ATOM 842 O THR A 140 0.273 -7.747 12.347 1.00 0.30 O ATOM 843 CB THR A 140 2.788 -8.419 11.428 1.00 0.31 C ATOM 844 OG1 THR A 140 2.080 -9.657 11.272 1.00 0.35 O ATOM 845 CG2 THR A 140 3.074 -8.147 12.901 1.00 0.34 C ATOM 0 H THR A 140 2.201 -5.538 11.971 1.00 0.25 H new ATOM 0 HA THR A 140 2.016 -7.351 9.730 1.00 0.26 H new ATOM 0 HB THR A 140 3.733 -8.514 10.894 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.601 -10.384 11.673 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.622 -8.988 13.326 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.671 -7.240 12.994 1.00 0.34 H new ATOM 0 HG23 THR A 140 2.133 -8.019 13.437 1.00 0.34 H new ATOM 853 N ARG A 141 -0.243 -6.760 10.400 1.00 0.25 N ATOM 854 CA ARG A 141 -1.664 -6.792 10.580 1.00 0.28 C ATOM 855 C ARG A 141 -2.283 -6.843 9.214 1.00 0.30 C ATOM 856 O ARG A 141 -1.720 -6.272 8.286 1.00 0.45 O ATOM 857 CB ARG A 141 -2.155 -5.537 11.301 1.00 0.30 C ATOM 858 CG ARG A 141 -1.270 -5.099 12.442 1.00 0.38 C ATOM 859 CD ARG A 141 -1.439 -6.051 13.586 1.00 1.01 C ATOM 860 NE ARG A 141 -0.948 -5.520 14.855 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.423 -6.275 15.817 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.271 -7.581 15.632 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.044 -5.721 16.962 1.00 1.97 N ATOM 0 H ARG A 141 0.049 -6.336 9.519 1.00 0.25 H new ATOM 0 HA ARG A 141 -1.940 -7.657 11.183 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.231 -4.723 10.580 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.159 -5.719 11.683 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.228 -5.076 12.123 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.530 -4.087 12.753 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.495 -6.301 13.689 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.912 -6.978 13.359 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.011 -4.514 15.013 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.557 -8.008 14.751 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.132 -8.157 16.371 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.155 -4.717 17.104 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.358 -6.299 17.700 1.00 1.97 H new ATOM 877 N PRO A 142 -3.420 -7.484 9.020 1.00 0.36 N ATOM 878 CA PRO A 142 -4.126 -7.282 7.783 1.00 0.39 C ATOM 879 C PRO A 142 -4.697 -5.876 7.753 1.00 0.32 C ATOM 880 O PRO A 142 -5.616 -5.543 8.510 1.00 0.37 O ATOM 881 CB PRO A 142 -5.241 -8.328 7.805 1.00 0.53 C ATOM 882 CG PRO A 142 -4.906 -9.252 8.937 1.00 0.79 C ATOM 883 CD PRO A 142 -4.074 -8.453 9.903 1.00 0.55 C ATOM 0 HA PRO A 142 -3.492 -7.387 6.902 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.214 -7.860 7.956 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.290 -8.868 6.860 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -5.812 -9.622 9.418 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -4.357 -10.123 8.579 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.687 -7.965 10.661 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -3.351 -9.076 10.430 1.00 0.55 H new ATOM 891 N GLY A 143 -4.129 -5.054 6.892 1.00 0.27 N ATOM 892 CA GLY A 143 -4.668 -3.720 6.671 1.00 0.27 C ATOM 893 C GLY A 143 -4.077 -2.643 7.580 1.00 0.26 C ATOM 894 O GLY A 143 -4.621 -1.544 7.664 1.00 0.38 O ATOM 0 H GLY A 143 -3.303 -5.280 6.338 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.493 -3.438 5.633 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.748 -3.749 6.816 1.00 0.27 H new ATOM 898 N GLU A 144 -2.963 -2.938 8.249 1.00 0.17 N ATOM 899 CA GLU A 144 -2.267 -1.930 9.061 1.00 0.14 C ATOM 900 C GLU A 144 -0.791 -2.066 8.800 1.00 0.11 C ATOM 901 O GLU A 144 -0.259 -3.176 8.835 1.00 0.12 O ATOM 902 CB GLU A 144 -2.520 -2.105 10.559 1.00 0.18 C ATOM 903 CG GLU A 144 -3.983 -2.260 10.942 1.00 0.40 C ATOM 904 CD GLU A 144 -4.192 -2.233 12.442 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.300 -1.124 13.012 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.245 -3.314 13.063 1.00 1.44 O ATOM 0 H GLU A 144 -2.523 -3.858 8.248 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.644 -0.946 8.781 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.973 -2.981 10.906 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.110 -1.244 11.086 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.563 -1.460 10.482 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.363 -3.200 10.542 1.00 0.40 H new ATOM 913 N PHE A 145 -0.111 -0.960 8.553 1.00 0.10 N ATOM 914 CA PHE A 145 1.247 -1.062 8.041 1.00 0.10 C ATOM 915 C PHE A 145 2.178 -0.160 8.826 1.00 0.09 C ATOM 916 O PHE A 145 1.730 0.586 9.683 1.00 0.10 O ATOM 917 CB PHE A 145 1.318 -0.720 6.539 1.00 0.16 C ATOM 918 CG PHE A 145 0.106 -1.108 5.698 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.522 -2.328 5.857 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.388 -0.249 4.735 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.615 -2.680 5.087 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.482 -0.590 3.961 1.00 0.30 C ATOM 923 CZ PHE A 145 -2.096 -1.808 4.138 1.00 0.27 C ATOM 0 H PHE A 145 -0.460 -0.012 8.692 1.00 0.10 H new ATOM 0 HA PHE A 145 1.566 -2.097 8.162 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.473 0.354 6.440 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.197 -1.209 6.118 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.152 -3.021 6.598 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.090 0.708 4.584 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.091 -3.639 5.230 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.854 0.100 3.218 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.951 -2.078 3.536 1.00 0.27 H new ATOM 933 N THR A 146 3.467 -0.212 8.544 1.00 0.09 N ATOM 934 CA THR A 146 4.401 0.622 9.270 1.00 0.12 C ATOM 935 C THR A 146 4.937 1.737 8.422 1.00 0.12 C ATOM 936 O THR A 146 5.215 1.574 7.233 1.00 0.15 O ATOM 937 CB THR A 146 5.591 -0.154 9.826 1.00 0.15 C ATOM 938 OG1 THR A 146 6.105 -1.049 8.837 1.00 0.16 O ATOM 939 CG2 THR A 146 5.214 -0.902 11.075 1.00 0.19 C ATOM 0 H THR A 146 3.883 -0.811 7.831 1.00 0.09 H new ATOM 0 HA THR A 146 3.820 1.025 10.099 1.00 0.12 H new ATOM 0 HB THR A 146 6.371 0.561 10.088 1.00 0.15 H new ATOM 0 HG1 THR A 146 7.067 -0.898 8.727 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.081 -1.446 11.449 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.874 -0.196 11.833 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.413 -1.607 10.850 1.00 0.19 H new ATOM 947 N VAL A 147 5.079 2.865 9.065 1.00 0.14 N ATOM 948 CA VAL A 147 5.589 4.057 8.437 1.00 0.15 C ATOM 949 C VAL A 147 7.036 4.302 8.853 1.00 0.23 C ATOM 950 O VAL A 147 7.329 4.462 10.040 1.00 0.29 O ATOM 951 CB VAL A 147 4.717 5.253 8.830 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.344 6.562 8.372 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.331 5.101 8.249 1.00 0.73 C ATOM 0 H VAL A 147 4.842 2.985 10.050 1.00 0.14 H new ATOM 0 HA VAL A 147 5.561 3.929 7.355 1.00 0.15 H new ATOM 0 HB VAL A 147 4.643 5.278 9.917 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.704 7.394 8.664 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.324 6.678 8.835 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.454 6.553 7.288 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.721 5.957 8.535 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.396 5.049 7.162 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.875 4.187 8.630 1.00 0.73 H new ATOM 963 N GLN A 148 7.936 4.320 7.880 1.00 0.37 N ATOM 964 CA GLN A 148 9.351 4.503 8.165 1.00 0.51 C ATOM 965 C GLN A 148 9.793 5.927 7.818 1.00 0.58 C ATOM 966 O GLN A 148 9.879 6.777 8.702 1.00 1.16 O ATOM 967 CB GLN A 148 10.181 3.461 7.409 1.00 0.57 C ATOM 968 CG GLN A 148 11.657 3.462 7.771 1.00 1.20 C ATOM 969 CD GLN A 148 12.424 2.333 7.105 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.608 2.470 6.797 1.00 2.45 O ATOM 971 NE2 GLN A 148 11.760 1.206 6.892 1.00 2.15 N ATOM 0 H GLN A 148 7.713 4.211 6.891 1.00 0.37 H new ATOM 0 HA GLN A 148 9.516 4.358 9.233 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.770 2.471 7.607 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.080 3.639 6.338 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.098 4.416 7.481 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.762 3.378 8.853 1.00 1.20 H new ATOM 0 HE21 GLN A 148 10.779 1.133 7.162 1.00 2.15 H new ATOM 0 HE22 GLN A 148 12.230 0.411 6.458 1.00 2.15 H new ATOM 980 N ALA A 149 10.044 6.194 6.537 1.00 0.40 N ATOM 981 CA ALA A 149 10.458 7.529 6.092 1.00 0.39 C ATOM 982 C ALA A 149 10.395 7.643 4.569 1.00 0.31 C ATOM 983 O ALA A 149 9.397 8.096 4.014 1.00 0.37 O ATOM 984 CB ALA A 149 11.860 7.860 6.594 1.00 0.49 C ATOM 0 H ALA A 149 9.969 5.506 5.788 1.00 0.40 H new ATOM 0 HA ALA A 149 9.762 8.252 6.517 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.144 8.855 6.251 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.872 7.835 7.684 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.568 7.127 6.207 1.00 0.49 H new ATOM 990 N ASN A 150 11.458 7.214 3.895 1.00 0.26 N ATOM 991 CA ASN A 150 11.478 7.185 2.430 1.00 0.24 C ATOM 992 C ASN A 150 10.789 5.948 1.950 1.00 0.19 C ATOM 993 O ASN A 150 10.683 5.708 0.756 1.00 0.20 O ATOM 994 CB ASN A 150 12.885 7.128 1.871 1.00 0.28 C ATOM 995 CG ASN A 150 13.799 8.245 2.335 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.358 9.358 2.616 1.00 1.02 O ATOM 997 ND2 ASN A 150 15.088 7.954 2.411 1.00 1.00 N ATOM 0 H ASN A 150 12.316 6.882 4.335 1.00 0.26 H new ATOM 0 HA ASN A 150 10.987 8.099 2.095 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.332 6.173 2.147 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.830 7.151 0.783 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.755 8.665 2.711 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.415 7.018 2.169 1.00 1.00 H new ATOM 1004 N SER A 151 10.393 5.118 2.874 1.00 0.17 N ATOM 1005 CA SER A 151 9.637 3.952 2.523 1.00 0.20 C ATOM 1006 C SER A 151 8.567 3.669 3.577 1.00 0.20 C ATOM 1007 O SER A 151 8.744 3.978 4.757 1.00 0.27 O ATOM 1008 CB SER A 151 10.562 2.737 2.399 1.00 0.27 C ATOM 1009 OG SER A 151 11.649 2.998 1.527 1.00 0.94 O ATOM 0 H SER A 151 10.581 5.227 3.871 1.00 0.17 H new ATOM 0 HA SER A 151 9.153 4.137 1.564 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.942 2.465 3.384 1.00 0.27 H new ATOM 0 HB3 SER A 151 9.995 1.883 2.029 1.00 0.27 H new ATOM 0 HG SER A 151 11.740 2.261 0.888 1.00 0.94 H new ATOM 1015 N ILE A 152 7.459 3.118 3.130 1.00 0.18 N ATOM 1016 CA ILE A 152 6.450 2.560 4.001 1.00 0.17 C ATOM 1017 C ILE A 152 6.531 1.048 3.893 1.00 0.17 C ATOM 1018 O ILE A 152 7.229 0.527 3.025 1.00 0.19 O ATOM 1019 CB ILE A 152 5.050 3.070 3.601 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.797 4.413 4.283 1.00 0.20 C ATOM 1021 CG2 ILE A 152 3.945 2.074 3.935 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.468 5.007 3.937 1.00 0.20 C ATOM 0 H ILE A 152 7.232 3.045 2.138 1.00 0.18 H new ATOM 0 HA ILE A 152 6.622 2.869 5.032 1.00 0.17 H new ATOM 0 HB ILE A 152 5.030 3.192 2.518 1.00 0.18 H new ATOM 0 HG12 ILE A 152 4.859 4.282 5.363 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.585 5.111 4.000 1.00 0.20 H new ATOM 0 HG21 ILE A 152 2.982 2.484 3.632 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.125 1.139 3.403 1.00 0.19 H new ATOM 0 HG23 ILE A 152 3.938 1.885 5.008 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.350 5.960 4.453 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.411 5.168 2.861 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.674 4.326 4.245 1.00 0.20 H new ATOM 1034 N GLU A 153 5.856 0.338 4.757 1.00 0.16 N ATOM 1035 CA GLU A 153 5.791 -1.088 4.612 1.00 0.14 C ATOM 1036 C GLU A 153 4.353 -1.562 4.633 1.00 0.23 C ATOM 1037 O GLU A 153 3.742 -1.583 5.688 1.00 0.56 O ATOM 1038 CB GLU A 153 6.526 -1.767 5.721 1.00 0.18 C ATOM 1039 CG GLU A 153 7.000 -3.116 5.278 1.00 0.27 C ATOM 1040 CD GLU A 153 8.059 -3.698 6.181 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.803 -4.743 6.820 1.00 0.97 O ATOM 1042 OE2 GLU A 153 9.145 -3.111 6.264 1.00 0.72 O ATOM 0 H GLU A 153 5.351 0.718 5.557 1.00 0.16 H new ATOM 0 HA GLU A 153 6.251 -1.340 3.656 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.376 -1.158 6.030 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.875 -1.869 6.589 1.00 0.18 H new ATOM 0 HG2 GLU A 153 6.150 -3.798 5.238 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.396 -3.041 4.265 1.00 0.27 H new ATOM 1049 N MET A 154 3.841 -2.000 3.496 1.00 0.13 N ATOM 1050 CA MET A 154 2.416 -2.254 3.352 1.00 0.13 C ATOM 1051 C MET A 154 2.116 -3.744 3.245 1.00 0.15 C ATOM 1052 O MET A 154 2.649 -4.431 2.378 1.00 0.18 O ATOM 1053 CB MET A 154 1.902 -1.494 2.116 1.00 0.19 C ATOM 1054 CG MET A 154 0.478 -1.832 1.694 1.00 0.94 C ATOM 1055 SD MET A 154 0.393 -3.152 0.467 1.00 0.73 S ATOM 1056 CE MET A 154 -1.379 -3.303 0.270 1.00 1.32 C ATOM 0 H MET A 154 4.391 -2.188 2.657 1.00 0.13 H new ATOM 0 HA MET A 154 1.899 -1.898 4.243 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.960 -0.424 2.317 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.570 -1.698 1.279 1.00 0.19 H new ATOM 0 HG2 MET A 154 -0.095 -2.126 2.574 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.004 -0.938 1.289 1.00 0.94 H new ATOM 0 HE1 MET A 154 -1.618 -4.289 -0.127 1.00 1.32 H new ATOM 0 HE2 MET A 154 -1.865 -3.174 1.237 1.00 1.32 H new ATOM 0 HE3 MET A 154 -1.735 -2.538 -0.420 1.00 1.32 H new ATOM 1066 N ILE A 155 1.270 -4.241 4.147 1.00 0.16 N ATOM 1067 CA ILE A 155 0.816 -5.614 4.080 1.00 0.19 C ATOM 1068 C ILE A 155 -0.090 -5.827 2.878 1.00 0.27 C ATOM 1069 O ILE A 155 -1.101 -5.144 2.711 1.00 0.33 O ATOM 1070 CB ILE A 155 0.043 -6.060 5.336 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.499 -5.262 6.567 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.241 -7.564 5.538 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.383 -6.011 7.520 1.00 0.24 C ATOM 0 H ILE A 155 0.890 -3.707 4.929 1.00 0.16 H new ATOM 0 HA ILE A 155 1.722 -6.214 3.998 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.020 -5.861 5.201 1.00 0.23 H new ATOM 0 HG12 ILE A 155 1.029 -4.372 6.228 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.384 -4.921 7.107 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.303 -7.887 6.425 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.135 -8.101 4.667 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.302 -7.777 5.666 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.650 -5.363 8.354 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.853 -6.886 7.896 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.288 -6.329 7.003 1.00 0.24 H new ATOM 1297 N VAL A 169 0.687 -11.317 4.057 1.00 0.38 N ATOM 1298 CA VAL A 169 1.975 -11.038 3.472 1.00 0.32 C ATOM 1299 C VAL A 169 2.181 -9.563 3.450 1.00 0.26 C ATOM 1300 O VAL A 169 1.245 -8.827 3.244 1.00 0.29 O ATOM 1301 CB VAL A 169 2.057 -11.490 2.028 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.352 -10.969 1.429 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.940 -12.996 1.942 1.00 0.48 C ATOM 0 HA VAL A 169 2.719 -11.567 4.068 1.00 0.32 H new ATOM 0 HB VAL A 169 1.227 -11.083 1.451 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.425 -11.287 0.389 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.363 -9.880 1.478 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.198 -11.366 1.990 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.001 -13.307 0.899 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.751 -13.457 2.506 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.984 -13.311 2.359 1.00 0.48 H new ATOM 1313 N ARG A 170 3.397 -9.133 3.594 1.00 0.23 N ATOM 1314 CA ARG A 170 3.666 -7.731 3.565 1.00 0.20 C ATOM 1315 C ARG A 170 4.753 -7.365 2.595 1.00 0.19 C ATOM 1316 O ARG A 170 5.699 -8.119 2.351 1.00 0.25 O ATOM 1317 CB ARG A 170 3.952 -7.237 4.954 1.00 0.26 C ATOM 1318 CG ARG A 170 4.876 -8.152 5.709 1.00 0.23 C ATOM 1319 CD ARG A 170 6.326 -8.033 5.273 1.00 0.39 C ATOM 1320 NE ARG A 170 7.141 -7.254 6.199 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.179 -7.742 6.879 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.499 -9.028 6.800 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.888 -6.933 7.646 1.00 1.61 N ATOM 0 H ARG A 170 4.213 -9.729 3.732 1.00 0.23 H new ATOM 0 HA ARG A 170 2.773 -7.227 3.196 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.395 -6.243 4.899 1.00 0.26 H new ATOM 0 HB3 ARG A 170 3.015 -7.139 5.502 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.805 -7.931 6.774 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.546 -9.182 5.574 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.752 -9.031 5.175 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.366 -7.571 4.287 1.00 0.39 H new ATOM 0 HE ARG A 170 6.901 -6.272 6.335 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.948 -9.655 6.214 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.296 -9.389 7.325 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.639 -5.946 7.713 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.684 -7.295 8.171 1.00 1.61 H new ATOM 1337 N ALA A 171 4.564 -6.217 2.016 1.00 0.17 N ATOM 1338 CA ALA A 171 5.493 -5.679 1.064 1.00 0.16 C ATOM 1339 C ALA A 171 6.154 -4.431 1.613 1.00 0.16 C ATOM 1340 O ALA A 171 5.687 -3.847 2.585 1.00 0.20 O ATOM 1341 CB ALA A 171 4.779 -5.374 -0.238 1.00 0.16 C ATOM 0 H ALA A 171 3.755 -5.622 2.192 1.00 0.17 H new ATOM 0 HA ALA A 171 6.270 -6.419 0.874 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.490 -4.966 -0.956 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.345 -6.290 -0.638 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.988 -4.646 -0.057 1.00 0.16 H new ATOM 1347 N ARG A 172 7.237 -4.026 0.981 1.00 0.16 N ATOM 1348 CA ARG A 172 7.933 -2.824 1.369 1.00 0.18 C ATOM 1349 C ARG A 172 7.759 -1.820 0.282 1.00 0.18 C ATOM 1350 O ARG A 172 8.152 -2.038 -0.860 1.00 0.22 O ATOM 1351 CB ARG A 172 9.417 -3.043 1.644 1.00 0.24 C ATOM 1352 CG ARG A 172 10.209 -1.742 1.652 1.00 0.79 C ATOM 1353 CD ARG A 172 11.707 -1.964 1.767 1.00 1.08 C ATOM 1354 NE ARG A 172 12.440 -0.711 1.581 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.551 -0.382 2.240 1.00 2.59 C ATOM 1356 NH1 ARG A 172 14.114 -1.240 3.081 1.00 2.48 N ATOM 1357 NH2 ARG A 172 14.110 0.805 2.040 1.00 3.69 N ATOM 0 H ARG A 172 7.654 -4.519 0.191 1.00 0.16 H new ATOM 0 HA ARG A 172 7.504 -2.476 2.309 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.535 -3.542 2.606 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.829 -3.710 0.887 1.00 0.24 H new ATOM 0 HG2 ARG A 172 9.998 -1.188 0.737 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.873 -1.123 2.484 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.942 -2.385 2.745 1.00 1.08 H new ATOM 0 HD3 ARG A 172 12.028 -2.691 1.022 1.00 1.08 H new ATOM 0 HE ARG A 172 12.076 -0.044 0.901 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.697 -2.159 3.227 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.964 -0.980 3.581 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.689 1.463 1.383 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.960 1.060 2.543 1.00 3.69 H new ATOM 1371 N LEU A 173 7.174 -0.735 0.649 1.00 0.20 N ATOM 1372 CA LEU A 173 6.711 0.223 -0.289 1.00 0.24 C ATOM 1373 C LEU A 173 7.531 1.500 -0.175 1.00 0.25 C ATOM 1374 O LEU A 173 7.440 2.229 0.793 1.00 0.48 O ATOM 1375 CB LEU A 173 5.241 0.431 0.004 1.00 0.37 C ATOM 1376 CG LEU A 173 4.763 1.843 -0.111 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.573 2.233 -1.540 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.522 2.025 0.728 1.00 0.54 C ATOM 0 H LEU A 173 7.002 -0.485 1.623 1.00 0.20 H new ATOM 0 HA LEU A 173 6.829 -0.111 -1.320 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.660 -0.189 -0.678 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.034 0.075 1.013 1.00 0.37 H new ATOM 0 HG LEU A 173 5.522 2.521 0.279 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.225 3.265 -1.592 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.521 2.142 -2.071 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.834 1.577 -2.001 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.174 3.054 0.644 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.743 1.349 0.377 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.752 1.804 1.770 1.00 0.54 H new ATOM 1390 N THR A 174 8.325 1.767 -1.173 1.00 0.17 N ATOM 1391 CA THR A 174 9.313 2.811 -1.082 1.00 0.15 C ATOM 1392 C THR A 174 8.949 4.017 -1.908 1.00 0.13 C ATOM 1393 O THR A 174 8.248 3.912 -2.908 1.00 0.12 O ATOM 1394 CB THR A 174 10.689 2.282 -1.495 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.161 1.327 -0.536 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.664 3.424 -1.613 1.00 0.20 C ATOM 0 H THR A 174 8.309 1.274 -2.066 1.00 0.17 H new ATOM 0 HA THR A 174 9.347 3.130 -0.040 1.00 0.15 H new ATOM 0 HB THR A 174 10.601 1.790 -2.464 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.041 0.995 -0.811 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.641 3.040 -1.907 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.310 4.129 -2.365 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.748 3.931 -0.652 1.00 0.20 H new ATOM 1404 N PHE A 175 9.423 5.161 -1.450 1.00 0.16 N ATOM 1405 CA PHE A 175 9.164 6.418 -2.088 1.00 0.17 C ATOM 1406 C PHE A 175 10.434 7.088 -2.606 1.00 0.19 C ATOM 1407 O PHE A 175 11.153 7.721 -1.837 1.00 0.32 O ATOM 1408 CB PHE A 175 8.554 7.334 -1.064 1.00 0.30 C ATOM 1409 CG PHE A 175 7.550 6.676 -0.197 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.354 6.253 -0.726 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.793 6.492 1.146 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.418 5.653 0.073 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.864 5.895 1.950 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.697 5.435 1.411 1.00 0.15 C ATOM 0 H PHE A 175 10.004 5.234 -0.615 1.00 0.16 H new ATOM 0 HA PHE A 175 8.508 6.233 -2.939 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.347 7.745 -0.439 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.084 8.174 -1.575 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.152 6.395 -1.777 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.730 6.824 1.569 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.466 5.351 -0.339 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.052 5.787 3.008 1.00 0.22 H new ATOM 0 HZ PHE A 175 4.991 4.901 2.029 1.00 0.15 H new ATOM 1424 N ASP A 176 10.687 7.005 -3.900 1.00 0.16 N ATOM 1425 CA ASP A 176 11.907 7.591 -4.462 1.00 0.20 C ATOM 1426 C ASP A 176 11.629 8.955 -5.078 1.00 0.19 C ATOM 1427 O ASP A 176 11.111 9.054 -6.190 1.00 0.20 O ATOM 1428 CB ASP A 176 12.539 6.671 -5.508 1.00 0.29 C ATOM 1429 CG ASP A 176 13.860 7.204 -6.031 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.861 7.878 -7.083 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.906 6.963 -5.391 1.00 0.68 O ATOM 0 H ASP A 176 10.079 6.546 -4.579 1.00 0.16 H new ATOM 0 HA ASP A 176 12.610 7.714 -3.638 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.697 5.685 -5.071 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.847 6.544 -6.341 1.00 0.29 H new ATOM 1436 N GLY A 177 11.957 10.003 -4.344 1.00 0.21 N ATOM 1437 CA GLY A 177 11.848 11.342 -4.884 1.00 0.23 C ATOM 1438 C GLY A 177 10.493 11.963 -4.654 1.00 0.23 C ATOM 1439 O GLY A 177 10.058 12.133 -3.515 1.00 0.27 O ATOM 0 H GLY A 177 12.297 9.953 -3.384 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.612 11.974 -4.431 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.051 11.314 -5.955 1.00 0.23 H new ATOM 1443 N ASP A 178 9.821 12.287 -5.746 1.00 0.22 N ATOM 1444 CA ASP A 178 8.516 12.929 -5.703 1.00 0.26 C ATOM 1445 C ASP A 178 7.530 11.918 -6.183 1.00 0.23 C ATOM 1446 O ASP A 178 6.361 12.212 -6.402 1.00 0.25 O ATOM 1447 CB ASP A 178 8.472 14.127 -6.644 1.00 0.34 C ATOM 1448 CG ASP A 178 7.441 15.165 -6.251 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.723 15.984 -5.350 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.328 15.143 -6.820 1.00 1.34 O ATOM 0 H ASP A 178 10.165 12.112 -6.690 1.00 0.22 H new ATOM 0 HA ASP A 178 8.300 13.276 -4.693 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.456 14.595 -6.670 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.258 13.778 -7.654 1.00 0.34 H new ATOM 1455 N HIS A 179 8.031 10.707 -6.340 1.00 0.19 N ATOM 1456 CA HIS A 179 7.236 9.621 -6.830 1.00 0.17 C ATOM 1457 C HIS A 179 7.507 8.338 -6.083 1.00 0.13 C ATOM 1458 O HIS A 179 8.528 8.184 -5.421 1.00 0.13 O ATOM 1459 CB HIS A 179 7.492 9.426 -8.326 1.00 0.22 C ATOM 1460 CG HIS A 179 8.850 8.898 -8.687 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.133 7.552 -8.809 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.001 9.548 -8.981 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.396 7.401 -9.158 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.943 8.593 -9.271 1.00 0.45 N ATOM 0 H HIS A 179 8.998 10.459 -6.129 1.00 0.19 H new ATOM 0 HA HIS A 179 6.189 9.876 -6.667 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.740 8.742 -8.719 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.348 10.382 -8.829 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.469 6.793 -8.654 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.150 10.618 -8.986 1.00 0.93 H new ATOM 0 HE1 HIS A 179 10.897 6.459 -9.323 1.00 1.05 H new ATOM 1473 N LEU A 180 6.559 7.424 -6.191 1.00 0.13 N ATOM 1474 CA LEU A 180 6.705 6.114 -5.596 1.00 0.12 C ATOM 1475 C LEU A 180 7.847 5.377 -6.227 1.00 0.14 C ATOM 1476 O LEU A 180 8.057 5.432 -7.439 1.00 0.22 O ATOM 1477 CB LEU A 180 5.438 5.285 -5.758 1.00 0.17 C ATOM 1478 CG LEU A 180 5.244 4.255 -4.664 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.502 4.908 -3.332 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.850 3.681 -4.704 1.00 0.20 C ATOM 0 H LEU A 180 5.679 7.568 -6.687 1.00 0.13 H new ATOM 0 HA LEU A 180 6.898 6.262 -4.533 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.576 5.953 -5.774 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.466 4.778 -6.722 1.00 0.17 H new ATOM 0 HG LEU A 180 5.944 3.434 -4.816 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.365 4.176 -2.536 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.523 5.288 -3.305 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.804 5.733 -3.190 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.737 2.944 -3.909 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.123 4.481 -4.564 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.681 3.202 -5.669 1.00 0.20 H new ATOM 1492 N ALA A 181 8.579 4.694 -5.388 1.00 0.12 N ATOM 1493 CA ALA A 181 9.731 3.977 -5.812 1.00 0.13 C ATOM 1494 C ALA A 181 9.385 2.552 -6.191 1.00 0.14 C ATOM 1495 O ALA A 181 9.774 2.062 -7.251 1.00 0.15 O ATOM 1496 CB ALA A 181 10.725 3.988 -4.694 1.00 0.13 C ATOM 0 H ALA A 181 8.384 4.625 -4.389 1.00 0.12 H new ATOM 0 HA ALA A 181 10.148 4.455 -6.698 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.619 3.443 -4.997 1.00 0.13 H new ATOM 0 HB2 ALA A 181 10.992 5.017 -4.454 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.290 3.512 -3.815 1.00 0.13 H new ATOM 1502 N THR A 182 8.648 1.894 -5.307 1.00 0.15 N ATOM 1503 CA THR A 182 8.325 0.494 -5.468 1.00 0.18 C ATOM 1504 C THR A 182 7.534 -0.008 -4.290 1.00 0.17 C ATOM 1505 O THR A 182 7.281 0.716 -3.331 1.00 0.16 O ATOM 1506 CB THR A 182 9.597 -0.364 -5.564 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.284 -1.673 -6.060 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.230 -0.475 -4.189 1.00 0.24 C ATOM 0 H THR A 182 8.261 2.318 -4.464 1.00 0.15 H new ATOM 0 HA THR A 182 7.745 0.409 -6.387 1.00 0.18 H new ATOM 0 HB THR A 182 10.294 0.110 -6.255 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.104 -2.206 -6.117 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.133 -1.083 -4.252 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.487 0.520 -3.825 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.525 -0.942 -3.501 1.00 0.24 H new ATOM 1516 N ILE A 183 7.175 -1.262 -4.396 1.00 0.20 N ATOM 1517 CA ILE A 183 6.511 -2.006 -3.372 1.00 0.18 C ATOM 1518 C ILE A 183 6.927 -3.443 -3.569 1.00 0.20 C ATOM 1519 O ILE A 183 6.837 -3.952 -4.680 1.00 0.28 O ATOM 1520 CB ILE A 183 4.997 -1.909 -3.485 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.562 -0.505 -3.123 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.355 -2.948 -2.589 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.262 0.375 -4.308 1.00 0.20 C ATOM 0 H ILE A 183 7.348 -1.811 -5.238 1.00 0.20 H new ATOM 0 HA ILE A 183 6.782 -1.614 -2.392 1.00 0.18 H new ATOM 0 HB ILE A 183 4.676 -2.110 -4.507 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.674 -0.563 -2.494 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.345 -0.037 -2.526 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.270 -2.878 -2.670 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.679 -3.943 -2.896 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.654 -2.772 -1.556 1.00 0.19 H new ATOM 0 HD11 ILE A 183 3.958 1.362 -3.960 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.154 0.467 -4.928 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.457 -0.067 -4.895 1.00 0.20 H new ATOM 1535 N VAL A 184 7.414 -4.082 -2.536 1.00 0.21 N ATOM 1536 CA VAL A 184 8.003 -5.393 -2.697 1.00 0.24 C ATOM 1537 C VAL A 184 7.513 -6.373 -1.675 1.00 0.23 C ATOM 1538 O VAL A 184 7.713 -6.155 -0.488 1.00 0.22 O ATOM 1539 CB VAL A 184 9.518 -5.318 -2.555 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.121 -6.705 -2.598 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.090 -4.411 -3.625 1.00 0.34 C ATOM 0 H VAL A 184 7.416 -3.723 -1.581 1.00 0.21 H new ATOM 0 HA VAL A 184 7.711 -5.731 -3.691 1.00 0.24 H new ATOM 0 HB VAL A 184 9.773 -4.888 -1.586 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.204 -6.634 -2.495 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.717 -7.303 -1.781 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.877 -7.179 -3.549 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.174 -4.361 -3.519 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.840 -4.807 -4.609 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.669 -3.411 -3.518 1.00 0.34 H new ATOM 1551 N ASN A 185 6.931 -7.470 -2.132 1.00 0.29 N ATOM 1552 CA ASN A 185 6.564 -8.548 -1.231 1.00 0.32 C ATOM 1553 C ASN A 185 7.817 -9.053 -0.565 1.00 0.33 C ATOM 1554 O ASN A 185 8.564 -9.855 -1.107 1.00 0.40 O ATOM 1555 CB ASN A 185 5.839 -9.672 -1.974 1.00 0.44 C ATOM 1556 CG ASN A 185 4.486 -9.237 -2.501 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.823 -8.387 -1.911 1.00 1.64 O ATOM 1558 ND2 ASN A 185 4.071 -9.808 -3.620 1.00 1.57 N ATOM 0 H ASN A 185 6.705 -7.636 -3.113 1.00 0.29 H new ATOM 0 HA ASN A 185 5.870 -8.176 -0.477 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.457 -10.013 -2.805 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.709 -10.522 -1.304 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.171 -9.546 -4.023 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.651 -10.510 -4.080 1.00 1.57 H new ATOM 1565 N MET A 186 7.994 -8.540 0.633 1.00 0.31 N ATOM 1566 CA MET A 186 9.202 -8.634 1.426 1.00 0.36 C ATOM 1567 C MET A 186 9.648 -10.040 1.619 1.00 0.43 C ATOM 1568 O MET A 186 10.824 -10.323 1.850 1.00 0.53 O ATOM 1569 CB MET A 186 8.903 -8.004 2.770 1.00 0.36 C ATOM 1570 CG MET A 186 8.851 -6.493 2.750 1.00 0.34 C ATOM 1571 SD MET A 186 10.462 -5.726 3.049 1.00 0.94 S ATOM 1572 CE MET A 186 11.408 -6.241 1.616 1.00 1.42 C ATOM 0 H MET A 186 7.258 -8.017 1.107 1.00 0.31 H new ATOM 0 HA MET A 186 10.011 -8.121 0.907 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.948 -8.384 3.132 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.663 -8.321 3.484 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.470 -6.161 1.784 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.145 -6.149 3.506 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.292 -5.611 1.518 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.715 -7.280 1.737 1.00 1.42 H new ATOM 0 HE3 MET A 186 10.793 -6.146 0.721 1.00 1.42 H new ATOM 1582 N GLU A 187 8.702 -10.909 1.521 1.00 0.43 N ATOM 1583 CA GLU A 187 8.925 -12.275 1.773 1.00 0.51 C ATOM 1584 C GLU A 187 9.799 -12.880 0.716 1.00 0.59 C ATOM 1585 O GLU A 187 10.705 -13.661 1.000 1.00 0.68 O ATOM 1586 CB GLU A 187 7.589 -12.939 1.823 1.00 0.50 C ATOM 1587 CG GLU A 187 6.579 -12.072 2.542 1.00 0.42 C ATOM 1588 CD GLU A 187 5.723 -12.836 3.526 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.988 -12.191 4.306 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.814 -14.077 3.557 1.00 0.67 O ATOM 0 H GLU A 187 7.743 -10.680 1.260 1.00 0.43 H new ATOM 0 HA GLU A 187 9.448 -12.411 2.719 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.242 -13.143 0.810 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.675 -13.900 2.330 1.00 0.50 H new ATOM 0 HG2 GLU A 187 7.105 -11.277 3.070 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.933 -11.593 1.806 1.00 0.42 H new ATOM 1597 N ASN A 188 9.529 -12.500 -0.498 1.00 0.58 N ATOM 1598 CA ASN A 188 10.353 -12.950 -1.595 1.00 0.67 C ATOM 1599 C ASN A 188 11.342 -11.874 -2.003 1.00 0.64 C ATOM 1600 O ASN A 188 12.433 -12.185 -2.474 1.00 0.74 O ATOM 1601 CB ASN A 188 9.518 -13.421 -2.796 1.00 0.73 C ATOM 1602 CG ASN A 188 9.319 -12.350 -3.851 1.00 1.45 C ATOM 1603 OD1 ASN A 188 10.137 -12.205 -4.756 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.234 -11.601 -3.753 1.00 1.95 N ATOM 0 H ASN A 188 8.756 -11.887 -0.758 1.00 0.58 H new ATOM 0 HA ASN A 188 10.913 -13.816 -1.243 1.00 0.67 H new ATOM 0 HB2 ASN A 188 10.005 -14.283 -3.252 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.543 -13.757 -2.442 1.00 0.73 H new ATOM 0 HD21 ASN A 188 8.053 -10.872 -4.444 1.00 1.95 H new ATOM 0 HD22 ASN A 188 7.578 -11.752 -2.987 1.00 1.95 H new ATOM 1611 N ASN A 189 10.951 -10.613 -1.767 1.00 0.53 N ATOM 1612 CA ASN A 189 11.783 -9.431 -1.980 1.00 0.52 C ATOM 1613 C ASN A 189 12.715 -9.487 -3.200 1.00 0.61 C ATOM 1614 O ASN A 189 13.798 -8.899 -3.185 1.00 0.71 O ATOM 1615 CB ASN A 189 12.552 -9.140 -0.699 1.00 0.59 C ATOM 1616 CG ASN A 189 13.653 -10.143 -0.384 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.792 -10.002 -0.830 1.00 1.80 O ATOM 1618 ND2 ASN A 189 13.329 -11.144 0.420 1.00 1.74 N ATOM 0 H ASN A 189 10.021 -10.387 -1.413 1.00 0.53 H new ATOM 0 HA ASN A 189 11.105 -8.613 -2.222 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.993 -8.146 -0.773 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.850 -9.116 0.134 1.00 0.59 H new ATOM 0 HD21 ASN A 189 14.034 -11.830 0.689 1.00 1.74 H new ATOM 0 HD22 ASN A 189 12.375 -11.229 0.770 1.00 1.74 H new