USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 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 -96:sc= 0.648 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.582 USER MOD Set 2.1: A 139 MET CE :methyl -169:sc= -1.1 (180deg=-1.23) USER MOD Set 2.2: A 146 THR OG1 : rot 126:sc= -1.88 USER MOD Set 3.1: A 121 LYS NZ :NH3+ 169:sc=-0.00963 (180deg=-0.133) USER MOD Set 3.2: A 122 ASN : amide:sc= 0 X(o=-0.0096,f=-0.0096) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 120 SER OG : rot -84:sc= -0.0658 USER MOD Single : A 124 MET CE :methyl 135:sc= -1.12 (180deg=-4.95!) USER MOD Single : A 126 LYS NZ :NH3+ 150:sc= -2.11! (180deg=-4.23!) USER MOD Single : A 131 THR OG1 : rot -40:sc= 0.182 USER MOD Single : A 132 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.081) USER MOD Single : A 133 TYR OH : rot 81:sc= -4.58! USER MOD Single : A 135 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.5!) 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= -1.47! K(o=-1.5!,f=-0.097) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 154 MET CE :methyl 152:sc= -0.309 (180deg=-1.2) USER MOD Single : A 179 HIS : no HD1:sc= -1.61! K(o=-1.6!,f=0.16) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 185 ASN : amide:sc=-0.00467 X(o=-0.0047,f=-0.0082) USER MOD Single : A 186 MET CE :methyl -160:sc= -0.279 (180deg=-1.03) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 2.953 8.177 -8.015 1.00 0.27 N ATOM 468 CA THR A 118 3.922 9.233 -7.860 1.00 0.26 C ATOM 469 C THR A 118 3.562 10.135 -6.698 1.00 0.25 C ATOM 470 O THR A 118 2.608 10.915 -6.754 1.00 0.32 O ATOM 471 CB THR A 118 4.089 10.038 -9.155 1.00 0.30 C ATOM 472 OG1 THR A 118 4.739 9.239 -10.152 1.00 0.32 O ATOM 473 CG2 THR A 118 4.840 11.355 -8.943 1.00 0.32 C ATOM 0 HA THR A 118 4.883 8.768 -7.639 1.00 0.26 H new ATOM 0 HB THR A 118 3.089 10.304 -9.499 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.839 9.761 -10.975 1.00 0.32 H new ATOM 0 HG21 THR A 118 4.928 11.881 -9.894 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.293 11.976 -8.234 1.00 0.32 H new ATOM 0 HG23 THR A 118 5.835 11.147 -8.550 1.00 0.32 H new ATOM 481 N ILE A 119 4.313 9.967 -5.625 1.00 0.19 N ATOM 482 CA ILE A 119 4.083 10.671 -4.400 1.00 0.18 C ATOM 483 C ILE A 119 5.394 11.094 -3.766 1.00 0.19 C ATOM 484 O ILE A 119 6.460 10.619 -4.120 1.00 0.20 O ATOM 485 CB ILE A 119 3.446 9.758 -3.392 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.497 8.856 -2.856 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.373 8.935 -3.975 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.113 8.324 -1.562 1.00 0.17 C ATOM 0 H ILE A 119 5.107 9.327 -5.591 1.00 0.19 H new ATOM 0 HA ILE A 119 3.455 11.528 -4.644 1.00 0.18 H new ATOM 0 HB ILE A 119 3.000 10.375 -2.612 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.669 8.037 -3.554 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.437 9.400 -2.765 1.00 0.14 H new ATOM 0 HG21 ILE A 119 1.947 8.294 -3.204 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.595 9.584 -4.378 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.782 8.318 -4.775 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.899 7.667 -1.191 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.965 9.145 -0.860 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.185 7.760 -1.661 1.00 0.17 H new ATOM 500 N SER A 120 5.272 11.847 -2.724 1.00 0.21 N ATOM 501 CA SER A 120 6.432 12.412 -2.065 1.00 0.28 C ATOM 502 C SER A 120 6.477 11.965 -0.612 1.00 0.28 C ATOM 503 O SER A 120 5.546 11.313 -0.134 1.00 0.25 O ATOM 504 CB SER A 120 6.427 13.938 -2.180 1.00 0.36 C ATOM 505 OG SER A 120 5.161 14.471 -1.839 1.00 1.29 O ATOM 0 H SER A 120 4.379 12.095 -2.298 1.00 0.21 H new ATOM 0 HA SER A 120 7.332 12.048 -2.560 1.00 0.28 H new ATOM 0 HB2 SER A 120 7.190 14.358 -1.524 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.686 14.230 -3.198 1.00 0.36 H new ATOM 0 HG SER A 120 4.570 14.437 -2.620 1.00 1.29 H new ATOM 511 N LYS A 121 7.552 12.310 0.078 1.00 0.35 N ATOM 512 CA LYS A 121 7.751 11.895 1.473 1.00 0.40 C ATOM 513 C LYS A 121 6.531 12.214 2.342 1.00 0.36 C ATOM 514 O LYS A 121 6.056 11.372 3.097 1.00 0.38 O ATOM 515 CB LYS A 121 8.995 12.570 2.052 1.00 0.50 C ATOM 516 CG LYS A 121 9.372 12.080 3.444 1.00 1.34 C ATOM 517 CD LYS A 121 10.657 12.728 3.936 1.00 1.71 C ATOM 518 CE LYS A 121 10.486 14.218 4.185 1.00 2.46 C ATOM 519 NZ LYS A 121 9.568 14.495 5.322 1.00 3.26 N ATOM 0 H LYS A 121 8.309 12.879 -0.301 1.00 0.35 H new ATOM 0 HA LYS A 121 7.889 10.814 1.477 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.835 12.401 1.378 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.828 13.646 2.089 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.563 12.301 4.140 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.493 10.997 3.429 1.00 1.34 H new ATOM 0 HD2 LYS A 121 10.979 12.241 4.857 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.446 12.572 3.201 1.00 1.71 H new ATOM 0 HE2 LYS A 121 11.459 14.665 4.389 1.00 2.46 H new ATOM 0 HE3 LYS A 121 10.099 14.693 3.284 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 9.624 15.502 5.576 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 8.593 14.261 5.046 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 9.844 13.916 6.140 1.00 3.26 H new ATOM 533 N ASN A 122 6.021 13.427 2.229 1.00 0.37 N ATOM 534 CA ASN A 122 4.863 13.842 3.002 1.00 0.37 C ATOM 535 C ASN A 122 3.593 13.414 2.320 1.00 0.30 C ATOM 536 O ASN A 122 2.536 13.370 2.946 1.00 0.29 O ATOM 537 CB ASN A 122 4.871 15.354 3.223 1.00 0.48 C ATOM 538 CG ASN A 122 6.075 15.812 4.022 1.00 1.22 C ATOM 539 OD1 ASN A 122 7.141 16.072 3.463 1.00 2.17 O ATOM 540 ND2 ASN A 122 5.916 15.913 5.331 1.00 1.64 N ATOM 0 H ASN A 122 6.392 14.145 1.607 1.00 0.37 H new ATOM 0 HA ASN A 122 4.912 13.356 3.977 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.864 15.860 2.258 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.959 15.648 3.743 1.00 0.48 H new ATOM 0 HD21 ASN A 122 6.694 16.216 5.917 1.00 1.64 H new ATOM 0 HD22 ASN A 122 5.016 15.688 5.754 1.00 1.64 H new ATOM 547 N GLU A 123 3.688 13.081 1.043 1.00 0.27 N ATOM 548 CA GLU A 123 2.540 12.643 0.329 1.00 0.25 C ATOM 549 C GLU A 123 2.131 11.292 0.796 1.00 0.21 C ATOM 550 O GLU A 123 0.993 10.917 0.694 1.00 0.26 O ATOM 551 CB GLU A 123 2.739 12.657 -1.160 1.00 0.27 C ATOM 552 CG GLU A 123 1.898 13.717 -1.816 1.00 0.30 C ATOM 553 CD GLU A 123 2.161 13.854 -3.295 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.340 13.865 -3.696 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.186 13.941 -4.065 1.00 0.50 O ATOM 0 H GLU A 123 4.550 13.111 0.498 1.00 0.27 H new ATOM 0 HA GLU A 123 1.740 13.354 0.539 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.791 12.833 -1.386 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.483 11.681 -1.572 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.845 13.483 -1.661 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.087 14.674 -1.330 1.00 0.30 H new ATOM 562 N MET A 124 3.038 10.578 1.361 1.00 0.19 N ATOM 563 CA MET A 124 2.678 9.287 1.856 1.00 0.20 C ATOM 564 C MET A 124 2.108 9.417 3.235 1.00 0.17 C ATOM 565 O MET A 124 1.236 8.657 3.627 1.00 0.16 O ATOM 566 CB MET A 124 3.842 8.301 1.830 1.00 0.27 C ATOM 567 CG MET A 124 5.011 8.646 2.750 1.00 1.21 C ATOM 568 SD MET A 124 4.701 8.242 4.483 1.00 2.28 S ATOM 569 CE MET A 124 6.218 8.796 5.248 1.00 3.06 C ATOM 0 H MET A 124 4.012 10.851 1.493 1.00 0.19 H new ATOM 0 HA MET A 124 1.920 8.876 1.190 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.467 7.314 2.101 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.214 8.231 0.808 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.899 8.112 2.413 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.228 9.711 2.666 1.00 1.21 H new ATOM 0 HE1 MET A 124 5.985 9.356 6.154 1.00 3.06 H new ATOM 0 HE2 MET A 124 6.833 7.933 5.503 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.762 9.437 4.555 1.00 3.06 H new ATOM 579 N VAL A 125 2.565 10.437 3.934 1.00 0.20 N ATOM 580 CA VAL A 125 2.186 10.654 5.309 1.00 0.22 C ATOM 581 C VAL A 125 0.699 10.861 5.449 1.00 0.21 C ATOM 582 O VAL A 125 0.082 10.549 6.461 1.00 0.23 O ATOM 583 CB VAL A 125 2.918 11.870 5.876 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.104 12.518 6.981 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.292 11.464 6.363 1.00 0.32 C ATOM 0 H VAL A 125 3.208 11.136 3.562 1.00 0.20 H new ATOM 0 HA VAL A 125 2.465 9.761 5.868 1.00 0.22 H new ATOM 0 HB VAL A 125 3.043 12.611 5.086 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.643 13.382 7.371 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.142 12.840 6.583 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.942 11.798 7.784 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.808 12.336 6.766 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.193 10.709 7.143 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.866 11.055 5.532 1.00 0.32 H new ATOM 595 N LYS A 126 0.154 11.459 4.455 1.00 0.20 N ATOM 596 CA LYS A 126 -1.269 11.565 4.333 1.00 0.20 C ATOM 597 C LYS A 126 -1.837 10.263 3.821 1.00 0.16 C ATOM 598 O LYS A 126 -2.838 9.809 4.317 1.00 0.19 O ATOM 599 CB LYS A 126 -1.574 12.672 3.368 1.00 0.24 C ATOM 600 CG LYS A 126 -1.010 12.347 2.010 1.00 0.32 C ATOM 601 CD LYS A 126 -0.189 13.416 1.365 1.00 0.39 C ATOM 602 CE LYS A 126 -0.901 14.751 1.234 1.00 0.59 C ATOM 603 NZ LYS A 126 -1.031 15.489 2.520 1.00 1.51 N ATOM 0 H LYS A 126 0.677 11.894 3.695 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.717 11.779 5.303 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.652 12.816 3.297 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.150 13.608 3.731 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.397 11.450 2.099 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.838 12.102 1.345 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.723 13.558 1.945 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.113 13.079 0.373 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.359 15.373 0.522 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.895 14.583 0.819 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.034 16.512 2.334 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.920 15.219 2.987 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.230 15.252 3.139 1.00 1.51 H new ATOM 617 N LEU A 127 -1.169 9.665 2.839 1.00 0.15 N ATOM 618 CA LEU A 127 -1.670 8.496 2.167 1.00 0.19 C ATOM 619 C LEU A 127 -1.879 7.345 3.044 1.00 0.20 C ATOM 620 O LEU A 127 -2.845 6.652 2.833 1.00 0.24 O ATOM 621 CB LEU A 127 -0.799 8.095 1.035 1.00 0.25 C ATOM 622 CG LEU A 127 -1.352 8.604 -0.272 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.304 9.367 -1.070 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.965 7.466 -1.049 1.00 0.40 C ATOM 0 H LEU A 127 -0.264 9.987 2.495 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.648 8.798 1.792 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.206 8.487 1.187 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.716 7.009 1.001 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.143 9.324 -0.062 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.742 9.717 -2.005 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.044 10.222 -0.490 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.538 8.709 -1.288 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.362 7.842 -1.992 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.204 6.712 -1.251 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.772 7.021 -0.467 1.00 0.40 H new ATOM 636 N LEU A 128 -1.025 7.092 4.009 1.00 0.18 N ATOM 637 CA LEU A 128 -1.340 5.994 4.850 1.00 0.24 C ATOM 638 C LEU A 128 -2.662 6.286 5.562 1.00 0.26 C ATOM 639 O LEU A 128 -3.543 5.448 5.624 1.00 0.32 O ATOM 640 CB LEU A 128 -0.207 5.557 5.818 1.00 0.28 C ATOM 641 CG LEU A 128 0.630 6.604 6.542 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.850 6.937 5.770 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.139 7.825 6.771 1.00 0.21 C ATOM 0 H LEU A 128 -0.165 7.601 4.213 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.452 5.116 4.213 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.660 4.922 6.580 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.480 4.931 5.249 1.00 0.28 H new ATOM 0 HG LEU A 128 0.919 6.177 7.502 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.429 7.687 6.310 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.453 6.039 5.638 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.567 7.331 4.794 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.483 8.555 7.289 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.461 8.237 5.815 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.013 7.596 7.380 1.00 0.21 H new ATOM 655 N GLU A 129 -2.827 7.516 5.996 1.00 0.23 N ATOM 656 CA GLU A 129 -4.030 7.950 6.670 1.00 0.28 C ATOM 657 C GLU A 129 -5.164 7.926 5.690 1.00 0.25 C ATOM 658 O GLU A 129 -6.319 7.637 6.007 1.00 0.31 O ATOM 659 CB GLU A 129 -3.811 9.359 7.140 1.00 0.32 C ATOM 660 CG GLU A 129 -2.550 9.476 7.953 1.00 0.44 C ATOM 661 CD GLU A 129 -2.522 8.537 9.148 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.602 8.273 9.719 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.420 8.126 9.566 1.00 2.23 O ATOM 0 H GLU A 129 -2.125 8.248 5.890 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.262 7.300 7.513 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.755 10.027 6.280 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.663 9.681 7.739 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.692 9.267 7.314 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.444 10.503 8.303 1.00 0.44 H new ATOM 670 N ALA A 130 -4.764 8.195 4.475 1.00 0.21 N ATOM 671 CA ALA A 130 -5.649 8.370 3.371 1.00 0.25 C ATOM 672 C ALA A 130 -6.011 7.021 2.770 1.00 0.28 C ATOM 673 O ALA A 130 -6.868 6.915 1.893 1.00 0.33 O ATOM 674 CB ALA A 130 -4.971 9.256 2.336 1.00 0.26 C ATOM 0 H ALA A 130 -3.780 8.300 4.227 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.571 8.846 3.706 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.638 9.398 1.486 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.740 10.224 2.781 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.049 8.782 1.999 1.00 0.26 H new ATOM 680 N THR A 131 -5.341 5.987 3.263 1.00 0.26 N ATOM 681 CA THR A 131 -5.518 4.649 2.767 1.00 0.29 C ATOM 682 C THR A 131 -5.973 3.759 3.918 1.00 0.29 C ATOM 683 O THR A 131 -6.185 2.552 3.770 1.00 0.33 O ATOM 684 CB THR A 131 -4.219 4.120 2.121 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.459 2.883 1.434 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.161 3.918 3.177 1.00 0.28 C ATOM 0 H THR A 131 -4.661 6.064 4.019 1.00 0.26 H new ATOM 0 HA THR A 131 -6.280 4.644 1.987 1.00 0.29 H new ATOM 0 HB THR A 131 -3.872 4.858 1.398 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.072 2.330 1.961 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.249 3.545 2.711 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.954 4.867 3.671 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.515 3.196 3.913 1.00 0.28 H new ATOM 694 N GLN A 132 -6.116 4.417 5.068 1.00 0.25 N ATOM 695 CA GLN A 132 -6.534 3.811 6.327 1.00 0.25 C ATOM 696 C GLN A 132 -5.442 2.944 6.941 1.00 0.21 C ATOM 697 O GLN A 132 -5.640 1.765 7.231 1.00 0.23 O ATOM 698 CB GLN A 132 -7.829 3.018 6.184 1.00 0.32 C ATOM 699 CG GLN A 132 -9.020 3.854 5.735 1.00 0.41 C ATOM 700 CD GLN A 132 -9.407 4.918 6.744 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.219 4.675 7.634 1.00 2.19 O ATOM 702 NE2 GLN A 132 -8.836 6.104 6.614 1.00 2.15 N ATOM 0 H GLN A 132 -5.938 5.418 5.149 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.724 4.640 7.009 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.672 2.212 5.467 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.065 2.552 7.141 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.785 4.331 4.784 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -9.873 3.198 5.561 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -8.166 6.268 5.862 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -9.065 6.855 7.266 1.00 2.15 H new ATOM 711 N TYR A 133 -4.294 3.556 7.129 1.00 0.17 N ATOM 712 CA TYR A 133 -3.142 2.933 7.697 1.00 0.15 C ATOM 713 C TYR A 133 -2.341 4.034 8.366 1.00 0.15 C ATOM 714 O TYR A 133 -2.379 5.174 7.959 1.00 0.18 O ATOM 715 CB TYR A 133 -2.343 2.140 6.642 1.00 0.16 C ATOM 716 CG TYR A 133 -0.841 2.372 6.625 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.120 2.292 7.801 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.131 2.672 5.460 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.238 2.492 7.819 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.208 2.856 5.477 1.00 0.25 C ATOM 721 CZ TYR A 133 1.886 2.821 6.540 1.00 0.19 C ATOM 722 OH TYR A 133 3.241 2.970 6.649 1.00 0.27 O ATOM 0 H TYR A 133 -4.142 4.533 6.879 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.418 2.183 8.438 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.524 1.077 6.803 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.739 2.385 5.657 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.635 2.068 8.724 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.664 2.759 4.525 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.807 2.411 8.734 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.718 3.040 4.543 1.00 0.25 H new ATOM 0 HH TYR A 133 3.668 2.088 6.645 1.00 0.27 H new ATOM 732 N ARG A 134 -1.689 3.716 9.436 1.00 0.15 N ATOM 733 CA ARG A 134 -0.967 4.693 10.202 1.00 0.18 C ATOM 734 C ARG A 134 0.273 3.991 10.714 1.00 0.19 C ATOM 735 O ARG A 134 0.295 2.762 10.685 1.00 0.18 O ATOM 736 CB ARG A 134 -1.858 5.125 11.347 1.00 0.18 C ATOM 737 CG ARG A 134 -3.304 5.327 10.909 1.00 0.22 C ATOM 738 CD ARG A 134 -4.048 4.004 10.899 1.00 0.25 C ATOM 739 NE ARG A 134 -4.598 3.653 12.208 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.722 2.405 12.663 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.370 1.374 11.903 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.211 2.193 13.876 1.00 0.49 N ATOM 0 H ARG A 134 -1.638 2.768 9.810 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.687 5.575 9.626 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.821 4.374 12.137 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.476 6.053 11.772 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.800 6.025 11.584 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.330 5.773 9.915 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.858 4.053 10.171 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.372 3.215 10.571 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.907 4.413 12.814 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.002 1.534 10.965 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.467 0.422 12.257 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.491 2.982 14.458 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.307 1.240 14.228 1.00 0.49 H new ATOM 756 N GLN A 135 1.287 4.715 11.166 1.00 0.22 N ATOM 757 CA GLN A 135 2.512 4.068 11.617 1.00 0.25 C ATOM 758 C GLN A 135 2.240 2.978 12.609 1.00 0.24 C ATOM 759 O GLN A 135 1.205 2.950 13.288 1.00 0.30 O ATOM 760 CB GLN A 135 3.491 5.042 12.245 1.00 0.35 C ATOM 761 CG GLN A 135 3.274 5.222 13.732 1.00 0.88 C ATOM 762 CD GLN A 135 3.760 6.559 14.252 1.00 1.36 C ATOM 763 OE1 GLN A 135 3.766 7.558 13.532 1.00 1.87 O ATOM 764 NE2 GLN A 135 4.166 6.591 15.509 1.00 1.96 N ATOM 0 H GLN A 135 1.288 5.733 11.230 1.00 0.22 H new ATOM 0 HA GLN A 135 2.956 3.646 10.715 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.508 4.689 12.072 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.401 6.009 11.750 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.211 5.119 13.952 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.789 4.424 14.266 1.00 0.88 H new ATOM 0 HE21 GLN A 135 4.146 5.742 16.073 1.00 1.96 H new ATOM 0 HE22 GLN A 135 4.500 7.465 15.915 1.00 1.96 H new ATOM 773 N VAL A 136 3.206 2.110 12.726 1.00 0.23 N ATOM 774 CA VAL A 136 3.012 0.917 13.462 1.00 0.24 C ATOM 775 C VAL A 136 4.290 0.475 14.161 1.00 0.27 C ATOM 776 O VAL A 136 5.399 0.770 13.707 1.00 0.27 O ATOM 777 CB VAL A 136 2.467 -0.197 12.528 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.816 -1.592 13.004 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.971 -0.072 12.365 1.00 0.20 C ATOM 0 H VAL A 136 4.134 2.217 12.316 1.00 0.23 H new ATOM 0 HA VAL A 136 2.276 1.111 14.242 1.00 0.24 H new ATOM 0 HB VAL A 136 2.955 -0.053 11.564 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.407 -2.326 12.310 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.900 -1.700 13.050 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.392 -1.755 13.995 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.609 -0.862 11.707 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.490 -0.163 13.339 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.732 0.899 11.931 1.00 0.20 H new ATOM 789 N SER A 137 4.111 -0.202 15.277 1.00 0.31 N ATOM 790 CA SER A 137 5.199 -0.814 16.008 1.00 0.35 C ATOM 791 C SER A 137 5.927 -1.846 15.178 1.00 0.33 C ATOM 792 O SER A 137 7.153 -1.837 15.053 1.00 0.35 O ATOM 793 CB SER A 137 4.598 -1.516 17.196 1.00 0.39 C ATOM 794 OG SER A 137 4.297 -0.611 18.240 1.00 0.73 O ATOM 0 H SER A 137 3.196 -0.344 15.705 1.00 0.31 H new ATOM 0 HA SER A 137 5.913 -0.040 16.291 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.689 -2.035 16.891 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.291 -2.274 17.560 1.00 0.39 H new ATOM 0 HG SER A 137 3.907 -1.100 18.994 1.00 0.73 H new ATOM 800 N LYS A 138 5.142 -2.723 14.604 1.00 0.30 N ATOM 801 CA LYS A 138 5.639 -3.824 13.833 1.00 0.30 C ATOM 802 C LYS A 138 4.584 -4.253 12.861 1.00 0.27 C ATOM 803 O LYS A 138 3.495 -4.696 13.233 1.00 0.28 O ATOM 804 CB LYS A 138 6.001 -4.955 14.738 1.00 0.35 C ATOM 805 CG LYS A 138 4.903 -5.268 15.702 1.00 0.37 C ATOM 806 CD LYS A 138 5.235 -6.475 16.551 1.00 0.43 C ATOM 807 CE LYS A 138 5.512 -7.684 15.677 1.00 0.44 C ATOM 808 NZ LYS A 138 5.871 -8.881 16.479 1.00 0.51 N ATOM 0 H LYS A 138 4.124 -2.687 14.663 1.00 0.30 H new ATOM 0 HA LYS A 138 6.532 -3.520 13.287 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.225 -5.840 14.142 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.908 -4.704 15.289 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.727 -4.407 16.346 1.00 0.37 H new ATOM 0 HG3 LYS A 138 3.978 -5.451 15.154 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.105 -6.261 17.172 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.407 -6.690 17.226 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.632 -7.903 15.073 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.323 -7.454 14.987 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.052 -9.684 15.843 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.726 -8.682 17.037 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.087 -9.117 17.120 1.00 0.51 H new ATOM 822 N MET A 139 4.887 -4.074 11.620 1.00 0.25 N ATOM 823 CA MET A 139 3.899 -4.205 10.610 1.00 0.25 C ATOM 824 C MET A 139 3.573 -5.661 10.316 1.00 0.26 C ATOM 825 O MET A 139 4.299 -6.408 9.661 1.00 0.30 O ATOM 826 CB MET A 139 4.366 -3.440 9.389 1.00 0.33 C ATOM 827 CG MET A 139 5.354 -4.170 8.506 1.00 0.70 C ATOM 828 SD MET A 139 6.760 -4.885 9.405 1.00 2.16 S ATOM 829 CE MET A 139 7.795 -3.455 9.698 1.00 2.71 C ATOM 0 H MET A 139 5.819 -3.835 11.281 1.00 0.25 H new ATOM 0 HA MET A 139 2.957 -3.776 10.953 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.494 -3.177 8.790 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.820 -2.505 9.718 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.832 -4.967 7.976 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.731 -3.479 7.752 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.770 -3.780 10.063 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.922 -2.901 8.768 1.00 2.71 H new ATOM 0 HE3 MET A 139 7.325 -2.812 10.442 1.00 2.71 H new ATOM 839 N THR A 140 2.481 -6.064 10.885 1.00 0.25 N ATOM 840 CA THR A 140 1.799 -7.242 10.457 1.00 0.26 C ATOM 841 C THR A 140 0.371 -7.150 10.923 1.00 0.27 C ATOM 842 O THR A 140 0.032 -7.523 12.047 1.00 0.30 O ATOM 843 CB THR A 140 2.485 -8.471 11.063 1.00 0.31 C ATOM 844 OG1 THR A 140 1.675 -9.646 10.915 1.00 0.35 O ATOM 845 CG2 THR A 140 2.814 -8.224 12.529 1.00 0.34 C ATOM 0 H THR A 140 2.035 -5.581 11.665 1.00 0.25 H new ATOM 0 HA THR A 140 1.824 -7.334 9.371 1.00 0.26 H new ATOM 0 HB THR A 140 3.415 -8.641 10.521 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.138 -10.414 11.309 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.301 -9.106 12.946 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.482 -7.367 12.613 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.895 -8.023 13.079 1.00 0.34 H new ATOM 853 N ARG A 141 -0.461 -6.677 10.031 1.00 0.25 N ATOM 854 CA ARG A 141 -1.882 -6.637 10.211 1.00 0.28 C ATOM 855 C ARG A 141 -2.529 -6.725 8.857 1.00 0.30 C ATOM 856 O ARG A 141 -1.855 -6.532 7.855 1.00 0.45 O ATOM 857 CB ARG A 141 -2.251 -5.327 10.888 1.00 0.30 C ATOM 858 CG ARG A 141 -1.510 -5.142 12.177 1.00 0.38 C ATOM 859 CD ARG A 141 -0.450 -4.076 12.069 1.00 1.01 C ATOM 860 NE ARG A 141 -0.055 -3.557 13.378 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.706 -2.594 14.036 1.00 1.74 C ATOM 862 NH1 ARG A 141 -1.823 -2.080 13.546 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.245 -2.157 15.197 1.00 1.97 N ATOM 0 H ARG A 141 -0.155 -6.299 9.134 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.222 -7.466 10.832 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.029 -4.496 10.218 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.324 -5.305 11.079 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -2.214 -4.875 12.965 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.048 -6.085 12.468 1.00 0.38 H new ATOM 0 HD2 ARG A 141 0.424 -4.485 11.563 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.821 -3.258 11.452 1.00 1.01 H new ATOM 0 HE ARG A 141 0.773 -3.957 13.818 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -2.194 -2.419 12.658 1.00 2.38 H new ATOM 0 HH12 ARG A 141 -2.313 -1.345 14.056 1.00 2.38 H new ATOM 0 HH21 ARG A 141 0.608 -2.556 15.590 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -0.742 -1.422 15.699 1.00 1.97 H new ATOM 877 N PRO A 142 -3.817 -6.998 8.767 1.00 0.36 N ATOM 878 CA PRO A 142 -4.499 -6.755 7.525 1.00 0.39 C ATOM 879 C PRO A 142 -4.848 -5.276 7.403 1.00 0.32 C ATOM 880 O PRO A 142 -5.672 -4.750 8.159 1.00 0.37 O ATOM 881 CB PRO A 142 -5.755 -7.615 7.632 1.00 0.53 C ATOM 882 CG PRO A 142 -6.008 -7.768 9.101 1.00 0.79 C ATOM 883 CD PRO A 142 -4.684 -7.583 9.802 1.00 0.55 C ATOM 0 HA PRO A 142 -3.904 -7.000 6.645 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.600 -7.139 7.135 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.609 -8.584 7.155 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.733 -7.030 9.446 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.425 -8.751 9.320 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.777 -6.924 10.665 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.288 -8.531 10.166 1.00 0.55 H new ATOM 891 N GLY A 143 -4.195 -4.601 6.472 1.00 0.27 N ATOM 892 CA GLY A 143 -4.558 -3.229 6.159 1.00 0.27 C ATOM 893 C GLY A 143 -3.957 -2.197 7.104 1.00 0.26 C ATOM 894 O GLY A 143 -4.376 -1.038 7.100 1.00 0.38 O ATOM 0 H GLY A 143 -3.419 -4.975 5.925 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.240 -3.003 5.141 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.644 -3.137 6.181 1.00 0.27 H new ATOM 898 N GLU A 144 -2.979 -2.598 7.912 1.00 0.17 N ATOM 899 CA GLU A 144 -2.289 -1.662 8.800 1.00 0.14 C ATOM 900 C GLU A 144 -0.803 -1.871 8.648 1.00 0.11 C ATOM 901 O GLU A 144 -0.327 -3.003 8.732 1.00 0.12 O ATOM 902 CB GLU A 144 -2.702 -1.901 10.245 1.00 0.18 C ATOM 903 CG GLU A 144 -4.194 -1.761 10.481 1.00 0.40 C ATOM 904 CD GLU A 144 -4.577 -2.041 11.914 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.415 -1.139 12.758 1.00 1.49 O ATOM 906 OE2 GLU A 144 -5.025 -3.169 12.200 1.00 1.44 O ATOM 0 H GLU A 144 -2.646 -3.560 7.971 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.554 -0.638 8.535 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.388 -2.901 10.543 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.173 -1.196 10.887 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.509 -0.752 10.214 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.729 -2.446 9.824 1.00 0.40 H new ATOM 913 N PHE A 145 -0.059 -0.796 8.454 1.00 0.10 N ATOM 914 CA PHE A 145 1.317 -0.947 8.000 1.00 0.10 C ATOM 915 C PHE A 145 2.246 -0.104 8.850 1.00 0.09 C ATOM 916 O PHE A 145 1.796 0.624 9.717 1.00 0.10 O ATOM 917 CB PHE A 145 1.503 -0.565 6.512 1.00 0.16 C ATOM 918 CG PHE A 145 0.366 -0.892 5.548 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.442 -1.994 5.774 1.00 0.20 C ATOM 920 CD2 PHE A 145 0.089 -0.105 4.448 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.490 -2.303 4.928 1.00 0.25 C ATOM 922 CE2 PHE A 145 -0.955 -0.407 3.593 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.677 -1.474 3.741 1.00 0.27 C ATOM 0 H PHE A 145 -0.370 0.165 8.598 1.00 0.10 H new ATOM 0 HA PHE A 145 1.563 -2.004 8.104 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.687 0.508 6.462 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.404 -1.060 6.149 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.249 -2.625 6.629 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.700 0.764 4.251 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.150 -3.132 5.138 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.176 0.266 2.778 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.408 -1.746 2.994 1.00 0.27 H new ATOM 933 N THR A 146 3.538 -0.188 8.604 1.00 0.09 N ATOM 934 CA THR A 146 4.479 0.619 9.353 1.00 0.12 C ATOM 935 C THR A 146 5.044 1.719 8.497 1.00 0.12 C ATOM 936 O THR A 146 5.300 1.541 7.306 1.00 0.15 O ATOM 937 CB THR A 146 5.644 -0.193 9.910 1.00 0.15 C ATOM 938 OG1 THR A 146 6.185 -1.035 8.895 1.00 0.16 O ATOM 939 CG2 THR A 146 5.223 -1.010 11.101 1.00 0.19 C ATOM 0 H THR A 146 3.956 -0.798 7.901 1.00 0.09 H new ATOM 0 HA THR A 146 3.913 1.033 10.187 1.00 0.12 H new ATOM 0 HB THR A 146 6.414 0.504 10.241 1.00 0.15 H new ATOM 0 HG1 THR A 146 7.148 -0.874 8.816 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.076 -1.577 11.474 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.857 -0.348 11.885 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.430 -1.699 10.808 1.00 0.19 H new ATOM 947 N VAL A 147 5.221 2.854 9.117 1.00 0.14 N ATOM 948 CA VAL A 147 5.737 4.027 8.449 1.00 0.15 C ATOM 949 C VAL A 147 7.226 4.220 8.747 1.00 0.23 C ATOM 950 O VAL A 147 7.651 4.088 9.893 1.00 0.29 O ATOM 951 CB VAL A 147 4.933 5.255 8.898 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.614 6.548 8.481 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.534 5.189 8.331 1.00 0.73 C ATOM 0 H VAL A 147 5.011 2.996 10.105 1.00 0.14 H new ATOM 0 HA VAL A 147 5.633 3.897 7.372 1.00 0.15 H new ATOM 0 HB VAL A 147 4.880 5.247 9.987 1.00 0.28 H new ATOM 0 HG11 VAL A 147 5.018 7.397 8.815 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.604 6.600 8.933 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.709 6.576 7.395 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.969 6.064 8.654 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.583 5.170 7.242 1.00 0.73 H new ATOM 0 HG23 VAL A 147 3.039 4.286 8.688 1.00 0.73 H new ATOM 963 N GLN A 148 8.014 4.513 7.712 1.00 0.37 N ATOM 964 CA GLN A 148 9.450 4.720 7.884 1.00 0.51 C ATOM 965 C GLN A 148 9.979 5.762 6.885 1.00 0.58 C ATOM 966 O GLN A 148 10.914 5.495 6.123 1.00 1.16 O ATOM 967 CB GLN A 148 10.200 3.393 7.713 1.00 0.57 C ATOM 968 CG GLN A 148 11.542 3.348 8.428 1.00 1.20 C ATOM 969 CD GLN A 148 11.404 3.213 9.934 1.00 1.71 C ATOM 970 OE1 GLN A 148 12.231 3.719 10.694 1.00 2.45 O ATOM 971 NE2 GLN A 148 10.373 2.510 10.379 1.00 2.15 N ATOM 0 H GLN A 148 7.684 4.612 6.752 1.00 0.37 H new ATOM 0 HA GLN A 148 9.622 5.097 8.892 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.574 2.582 8.085 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.359 3.211 6.650 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.124 2.510 8.045 1.00 1.20 H new ATOM 0 HG3 GLN A 148 12.101 4.256 8.199 1.00 1.20 H new ATOM 0 HE21 GLN A 148 9.708 2.106 9.719 1.00 2.15 H new ATOM 0 HE22 GLN A 148 10.244 2.373 11.381 1.00 2.15 H new ATOM 980 N ALA A 149 9.354 6.938 6.888 1.00 0.40 N ATOM 981 CA ALA A 149 9.787 8.087 6.079 1.00 0.39 C ATOM 982 C ALA A 149 9.773 7.808 4.569 1.00 0.31 C ATOM 983 O ALA A 149 8.722 7.838 3.940 1.00 0.37 O ATOM 984 CB ALA A 149 11.160 8.574 6.526 1.00 0.49 C ATOM 0 H ALA A 149 8.527 7.127 7.454 1.00 0.40 H new ATOM 0 HA ALA A 149 9.055 8.876 6.250 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.461 9.424 5.914 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.116 8.877 7.572 1.00 0.49 H new ATOM 0 HB3 ALA A 149 11.886 7.769 6.412 1.00 0.49 H new ATOM 990 N ASN A 150 10.937 7.523 3.990 1.00 0.26 N ATOM 991 CA ASN A 150 11.051 7.350 2.535 1.00 0.24 C ATOM 992 C ASN A 150 10.643 5.969 2.115 1.00 0.19 C ATOM 993 O ASN A 150 10.634 5.643 0.928 1.00 0.20 O ATOM 994 CB ASN A 150 12.472 7.546 2.066 1.00 0.28 C ATOM 995 CG ASN A 150 13.013 8.933 2.361 1.00 0.39 C ATOM 996 OD1 ASN A 150 12.282 9.921 2.304 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.293 9.017 2.687 1.00 1.00 N ATOM 0 H ASN A 150 11.813 7.406 4.499 1.00 0.26 H new ATOM 0 HA ASN A 150 10.393 8.098 2.092 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.111 6.804 2.545 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.522 7.364 0.992 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.706 9.925 2.902 1.00 1.00 H new ATOM 0 HD22 ASN A 150 14.866 8.174 2.723 1.00 1.00 H new ATOM 1004 N SER A 151 10.363 5.138 3.073 1.00 0.17 N ATOM 1005 CA SER A 151 9.878 3.826 2.771 1.00 0.20 C ATOM 1006 C SER A 151 8.816 3.414 3.775 1.00 0.20 C ATOM 1007 O SER A 151 9.055 3.415 4.975 1.00 0.27 O ATOM 1008 CB SER A 151 11.029 2.819 2.756 1.00 0.27 C ATOM 1009 OG SER A 151 11.989 3.165 1.769 1.00 0.94 O ATOM 0 H SER A 151 10.462 5.344 4.067 1.00 0.17 H new ATOM 0 HA SER A 151 9.427 3.841 1.779 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.504 2.788 3.737 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.641 1.820 2.558 1.00 0.27 H new ATOM 0 HG SER A 151 11.815 2.655 0.951 1.00 0.94 H new ATOM 1015 N ILE A 152 7.644 3.080 3.283 1.00 0.18 N ATOM 1016 CA ILE A 152 6.602 2.546 4.130 1.00 0.17 C ATOM 1017 C ILE A 152 6.659 1.035 4.030 1.00 0.17 C ATOM 1018 O ILE A 152 7.321 0.497 3.151 1.00 0.19 O ATOM 1019 CB ILE A 152 5.219 3.076 3.701 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.972 4.433 4.357 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.097 2.096 4.036 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.631 5.014 4.027 1.00 0.20 C ATOM 0 H ILE A 152 7.389 3.169 2.299 1.00 0.18 H new ATOM 0 HA ILE A 152 6.755 2.861 5.162 1.00 0.17 H new ATOM 0 HB ILE A 152 5.219 3.189 2.617 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.059 4.327 5.438 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.750 5.129 4.041 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.142 2.513 3.715 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.273 1.152 3.520 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.074 1.923 5.112 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.520 5.977 4.524 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.549 5.151 2.949 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.847 4.337 4.368 1.00 0.20 H new ATOM 1034 N GLU A 153 6.010 0.337 4.914 1.00 0.16 N ATOM 1035 CA GLU A 153 5.950 -1.087 4.764 1.00 0.14 C ATOM 1036 C GLU A 153 4.518 -1.553 4.747 1.00 0.23 C ATOM 1037 O GLU A 153 3.895 -1.647 5.793 1.00 0.56 O ATOM 1038 CB GLU A 153 6.666 -1.784 5.877 1.00 0.18 C ATOM 1039 CG GLU A 153 7.035 -3.181 5.469 1.00 0.27 C ATOM 1040 CD GLU A 153 8.315 -3.657 6.113 1.00 0.50 C ATOM 1041 OE1 GLU A 153 8.301 -4.740 6.737 1.00 0.97 O ATOM 1042 OE2 GLU A 153 9.334 -2.958 6.010 1.00 0.72 O ATOM 0 H GLU A 153 5.526 0.717 5.727 1.00 0.16 H new ATOM 0 HA GLU A 153 6.435 -1.333 3.820 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.564 -1.227 6.145 1.00 0.18 H new ATOM 0 HB3 GLU A 153 6.033 -1.813 6.764 1.00 0.18 H new ATOM 0 HG2 GLU A 153 6.225 -3.859 5.736 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.141 -3.223 4.385 1.00 0.27 H new ATOM 1049 N MET A 154 4.030 -1.919 3.582 1.00 0.13 N ATOM 1050 CA MET A 154 2.610 -2.101 3.390 1.00 0.13 C ATOM 1051 C MET A 154 2.248 -3.568 3.286 1.00 0.15 C ATOM 1052 O MET A 154 2.833 -4.308 2.510 1.00 0.18 O ATOM 1053 CB MET A 154 2.161 -1.316 2.140 1.00 0.19 C ATOM 1054 CG MET A 154 2.693 -1.854 0.812 1.00 0.94 C ATOM 1055 SD MET A 154 1.686 -3.181 0.105 1.00 0.73 S ATOM 1056 CE MET A 154 0.090 -2.385 -0.071 1.00 1.32 C ATOM 0 H MET A 154 4.597 -2.096 2.753 1.00 0.13 H new ATOM 0 HA MET A 154 2.082 -1.712 4.260 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.072 -1.314 2.103 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.479 -0.279 2.248 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.752 -1.034 0.096 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.709 -2.221 0.960 1.00 0.94 H new ATOM 0 HE1 MET A 154 -0.457 -2.845 -0.894 1.00 1.32 H new ATOM 0 HE2 MET A 154 -0.478 -2.501 0.852 1.00 1.32 H new ATOM 0 HE3 MET A 154 0.233 -1.324 -0.278 1.00 1.32 H new ATOM 1066 N ILE A 155 1.318 -3.998 4.118 1.00 0.16 N ATOM 1067 CA ILE A 155 0.788 -5.329 4.004 1.00 0.19 C ATOM 1068 C ILE A 155 -0.049 -5.459 2.735 1.00 0.27 C ATOM 1069 O ILE A 155 -0.848 -4.583 2.409 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.083 -5.735 5.205 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.336 -4.981 6.475 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.031 -7.242 5.410 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.112 -5.804 7.462 1.00 0.24 C ATOM 0 H ILE A 155 0.920 -3.442 4.875 1.00 0.16 H new ATOM 0 HA ILE A 155 1.650 -5.996 3.971 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.120 -5.471 5.000 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.938 -4.119 6.188 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.558 -4.597 6.966 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.583 -7.541 6.260 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.313 -7.758 4.514 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.071 -7.505 5.603 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.366 -5.191 8.327 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.508 -6.652 7.783 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.027 -6.167 6.994 1.00 0.24 H new ATOM 1297 N VAL A 169 0.323 -11.103 4.004 1.00 0.38 N ATOM 1298 CA VAL A 169 1.631 -10.858 3.459 1.00 0.32 C ATOM 1299 C VAL A 169 1.895 -9.396 3.454 1.00 0.26 C ATOM 1300 O VAL A 169 1.003 -8.623 3.187 1.00 0.29 O ATOM 1301 CB VAL A 169 1.740 -11.292 2.009 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.092 -10.855 1.477 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.508 -12.784 1.875 1.00 0.48 C ATOM 0 HA VAL A 169 2.333 -11.419 4.076 1.00 0.32 H new ATOM 0 HB VAL A 169 0.965 -10.815 1.408 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.188 -11.159 0.435 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.178 -9.771 1.548 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.882 -11.321 2.065 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.591 -13.072 0.827 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.254 -13.322 2.460 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.512 -13.032 2.242 1.00 0.48 H new ATOM 1313 N ARG A 170 3.121 -9.025 3.669 1.00 0.23 N ATOM 1314 CA ARG A 170 3.474 -7.641 3.640 1.00 0.20 C ATOM 1315 C ARG A 170 4.602 -7.350 2.692 1.00 0.19 C ATOM 1316 O ARG A 170 5.492 -8.171 2.460 1.00 0.25 O ATOM 1317 CB ARG A 170 3.757 -7.158 5.035 1.00 0.26 C ATOM 1318 CG ARG A 170 4.594 -8.130 5.818 1.00 0.23 C ATOM 1319 CD ARG A 170 6.061 -8.118 5.414 1.00 0.39 C ATOM 1320 NE ARG A 170 6.900 -7.332 6.316 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.821 -7.863 7.123 1.00 0.96 C ATOM 1322 NH1 ARG A 170 7.971 -9.181 7.201 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.589 -7.072 7.853 1.00 1.61 N ATOM 0 H ARG A 170 3.892 -9.662 3.866 1.00 0.23 H new ATOM 0 HA ARG A 170 2.623 -7.083 3.250 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.270 -6.197 4.987 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.815 -6.991 5.557 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.514 -7.896 6.880 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.195 -9.135 5.683 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.431 -9.143 5.384 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.150 -7.717 4.404 1.00 0.39 H new ATOM 0 HE ARG A 170 6.775 -6.320 6.330 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.380 -9.796 6.641 1.00 1.39 H new ATOM 0 HH12 ARG A 170 8.677 -9.578 7.820 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.476 -6.060 7.798 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.294 -7.474 8.471 1.00 1.61 H new ATOM 1337 N ALA A 171 4.501 -6.195 2.105 1.00 0.17 N ATOM 1338 CA ALA A 171 5.487 -5.703 1.190 1.00 0.16 C ATOM 1339 C ALA A 171 6.205 -4.508 1.786 1.00 0.16 C ATOM 1340 O ALA A 171 5.752 -3.932 2.768 1.00 0.20 O ATOM 1341 CB ALA A 171 4.830 -5.327 -0.125 1.00 0.16 C ATOM 0 H ALA A 171 3.718 -5.558 2.251 1.00 0.17 H new ATOM 0 HA ALA A 171 6.221 -6.487 1.003 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.586 -4.954 -0.816 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.348 -6.205 -0.555 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.084 -4.552 0.050 1.00 0.16 H new ATOM 1347 N ARG A 172 7.315 -4.132 1.186 1.00 0.16 N ATOM 1348 CA ARG A 172 8.057 -2.980 1.644 1.00 0.18 C ATOM 1349 C ARG A 172 8.100 -1.973 0.536 1.00 0.18 C ATOM 1350 O ARG A 172 8.592 -2.232 -0.562 1.00 0.22 O ATOM 1351 CB ARG A 172 9.455 -3.337 2.133 1.00 0.24 C ATOM 1352 CG ARG A 172 10.296 -2.130 2.522 1.00 0.79 C ATOM 1353 CD ARG A 172 11.613 -2.547 3.154 1.00 1.08 C ATOM 1354 NE ARG A 172 11.410 -3.293 4.395 1.00 1.97 N ATOM 1355 CZ ARG A 172 12.307 -4.118 4.929 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.503 -4.259 4.369 1.00 2.48 N ATOM 1357 NH2 ARG A 172 12.007 -4.792 6.033 1.00 3.69 N ATOM 0 H ARG A 172 7.722 -4.608 0.381 1.00 0.16 H new ATOM 0 HA ARG A 172 7.548 -2.557 2.510 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.370 -4.002 2.993 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.973 -3.892 1.351 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.492 -1.522 1.639 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.738 -1.507 3.220 1.00 0.79 H new ATOM 0 HD2 ARG A 172 12.176 -3.160 2.450 1.00 1.08 H new ATOM 0 HD3 ARG A 172 12.215 -1.661 3.357 1.00 1.08 H new ATOM 0 HE ARG A 172 10.523 -3.173 4.883 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.737 -3.734 3.526 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.188 -4.892 4.782 1.00 2.48 H new ATOM 0 HH21 ARG A 172 11.092 -4.676 6.468 1.00 3.69 H new ATOM 0 HH22 ARG A 172 12.692 -5.426 6.446 1.00 3.69 H new ATOM 1371 N LEU A 173 7.570 -0.833 0.847 1.00 0.20 N ATOM 1372 CA LEU A 173 7.191 0.132 -0.133 1.00 0.24 C ATOM 1373 C LEU A 173 8.039 1.388 0.021 1.00 0.25 C ATOM 1374 O LEU A 173 8.310 1.831 1.119 1.00 0.48 O ATOM 1375 CB LEU A 173 5.699 0.368 0.072 1.00 0.37 C ATOM 1376 CG LEU A 173 5.204 1.781 -0.082 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.921 2.113 -1.514 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.994 1.992 0.797 1.00 0.54 C ATOM 0 H LEU A 173 7.385 -0.542 1.807 1.00 0.20 H new ATOM 0 HA LEU A 173 7.364 -0.204 -1.155 1.00 0.24 H new ATOM 0 HB2 LEU A 173 5.156 -0.260 -0.634 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.436 0.024 1.072 1.00 0.37 H new ATOM 0 HG LEU A 173 5.988 2.466 0.241 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.566 3.141 -1.586 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.833 2.003 -2.100 1.00 0.61 H new ATOM 0 HD13 LEU A 173 4.158 1.437 -1.900 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.637 3.016 0.685 1.00 0.54 H new ATOM 0 HD22 LEU A 173 3.206 1.298 0.504 1.00 0.54 H new ATOM 0 HD23 LEU A 173 4.265 1.815 1.838 1.00 0.54 H new ATOM 1390 N THR A 174 8.486 1.936 -1.079 1.00 0.17 N ATOM 1391 CA THR A 174 9.434 3.031 -1.044 1.00 0.15 C ATOM 1392 C THR A 174 8.993 4.180 -1.902 1.00 0.13 C ATOM 1393 O THR A 174 8.294 4.002 -2.891 1.00 0.12 O ATOM 1394 CB THR A 174 10.815 2.564 -1.495 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.327 1.563 -0.599 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.751 3.746 -1.559 1.00 0.20 C ATOM 0 H THR A 174 8.210 1.644 -2.017 1.00 0.17 H new ATOM 0 HA THR A 174 9.484 3.374 -0.011 1.00 0.15 H new ATOM 0 HB THR A 174 10.734 2.119 -2.487 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.212 1.273 -0.904 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.737 3.412 -1.881 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.366 4.477 -2.269 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.827 4.204 -0.573 1.00 0.20 H new ATOM 1404 N PHE A 175 9.401 5.361 -1.483 1.00 0.16 N ATOM 1405 CA PHE A 175 9.109 6.569 -2.193 1.00 0.17 C ATOM 1406 C PHE A 175 10.365 7.218 -2.780 1.00 0.19 C ATOM 1407 O PHE A 175 11.152 7.812 -2.049 1.00 0.32 O ATOM 1408 CB PHE A 175 8.459 7.526 -1.223 1.00 0.30 C ATOM 1409 CG PHE A 175 7.511 6.840 -0.296 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.312 6.342 -0.758 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.803 6.729 1.045 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.423 5.748 0.105 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.927 6.134 1.912 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.789 5.498 1.392 1.00 0.15 C ATOM 0 H PHE A 175 9.948 5.500 -0.633 1.00 0.16 H new ATOM 0 HA PHE A 175 8.451 6.332 -3.029 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.231 8.030 -0.641 1.00 0.30 H new ATOM 0 HB3 PHE A 175 7.925 8.296 -1.779 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.069 6.419 -1.807 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.739 7.118 1.419 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.435 5.480 -0.238 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.108 6.153 2.977 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.212 4.820 2.004 1.00 0.15 H new ATOM 1424 N ASP A 176 10.529 7.132 -4.093 1.00 0.16 N ATOM 1425 CA ASP A 176 11.699 7.713 -4.768 1.00 0.20 C ATOM 1426 C ASP A 176 11.401 9.122 -5.268 1.00 0.19 C ATOM 1427 O ASP A 176 10.818 9.308 -6.336 1.00 0.20 O ATOM 1428 CB ASP A 176 12.144 6.840 -5.950 1.00 0.29 C ATOM 1429 CG ASP A 176 13.337 7.412 -6.706 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.128 8.154 -7.688 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.490 7.102 -6.335 1.00 0.68 O ATOM 0 H ASP A 176 9.871 6.667 -4.719 1.00 0.16 H new ATOM 0 HA ASP A 176 12.504 7.758 -4.035 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.398 5.846 -5.583 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.308 6.721 -6.640 1.00 0.29 H new ATOM 1436 N GLY A 177 11.784 10.112 -4.489 1.00 0.21 N ATOM 1437 CA GLY A 177 11.662 11.482 -4.940 1.00 0.23 C ATOM 1438 C GLY A 177 10.289 12.063 -4.718 1.00 0.23 C ATOM 1439 O GLY A 177 9.847 12.230 -3.581 1.00 0.27 O ATOM 0 H GLY A 177 12.177 9.997 -3.555 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.397 12.095 -4.419 1.00 0.23 H new ATOM 0 HA3 GLY A 177 11.902 11.530 -6.002 1.00 0.23 H new ATOM 1443 N ASP A 178 9.615 12.365 -5.814 1.00 0.22 N ATOM 1444 CA ASP A 178 8.290 12.955 -5.759 1.00 0.26 C ATOM 1445 C ASP A 178 7.333 11.925 -6.256 1.00 0.23 C ATOM 1446 O ASP A 178 6.157 12.197 -6.483 1.00 0.25 O ATOM 1447 CB ASP A 178 8.185 14.178 -6.658 1.00 0.34 C ATOM 1448 CG ASP A 178 7.348 15.284 -6.054 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.888 16.060 -5.239 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.159 15.407 -6.409 1.00 1.34 O ATOM 0 H ASP A 178 9.967 12.210 -6.759 1.00 0.22 H new ATOM 0 HA ASP A 178 8.075 13.267 -4.737 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.186 14.558 -6.864 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.753 13.883 -7.614 1.00 0.34 H new ATOM 1455 N HIS A 179 7.867 10.730 -6.429 1.00 0.19 N ATOM 1456 CA HIS A 179 7.103 9.615 -6.912 1.00 0.17 C ATOM 1457 C HIS A 179 7.437 8.346 -6.163 1.00 0.13 C ATOM 1458 O HIS A 179 8.457 8.253 -5.496 1.00 0.13 O ATOM 1459 CB HIS A 179 7.349 9.434 -8.412 1.00 0.22 C ATOM 1460 CG HIS A 179 8.755 9.072 -8.803 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.646 9.988 -9.316 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.411 7.886 -8.788 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.784 9.384 -9.597 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.669 8.108 -9.287 1.00 0.45 N ATOM 0 H HIS A 179 8.845 10.514 -6.236 1.00 0.19 H new ATOM 0 HA HIS A 179 6.047 9.824 -6.741 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.678 8.658 -8.781 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.077 10.359 -8.920 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.016 6.941 -8.446 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.663 9.856 -10.012 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.396 7.402 -9.400 1.00 0.45 H new ATOM 1473 N LEU A 180 6.541 7.382 -6.255 1.00 0.13 N ATOM 1474 CA LEU A 180 6.765 6.088 -5.637 1.00 0.12 C ATOM 1475 C LEU A 180 7.943 5.380 -6.241 1.00 0.14 C ATOM 1476 O LEU A 180 8.204 5.468 -7.437 1.00 0.22 O ATOM 1477 CB LEU A 180 5.547 5.208 -5.787 1.00 0.17 C ATOM 1478 CG LEU A 180 5.359 4.224 -4.659 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.498 4.955 -3.353 1.00 0.14 C ATOM 1480 CD2 LEU A 180 4.007 3.573 -4.749 1.00 0.20 C ATOM 0 H LEU A 180 5.653 7.469 -6.750 1.00 0.13 H new ATOM 0 HA LEU A 180 6.966 6.273 -4.582 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.661 5.840 -5.856 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.621 4.659 -6.726 1.00 0.17 H new ATOM 0 HG LEU A 180 6.115 3.442 -4.727 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.364 4.255 -2.528 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.489 5.404 -3.291 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.741 5.737 -3.291 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.888 2.866 -3.928 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.231 4.336 -4.686 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.920 3.044 -5.698 1.00 0.20 H new ATOM 1492 N ALA A 181 8.647 4.672 -5.388 1.00 0.12 N ATOM 1493 CA ALA A 181 9.820 3.969 -5.785 1.00 0.13 C ATOM 1494 C ALA A 181 9.523 2.516 -6.127 1.00 0.14 C ATOM 1495 O ALA A 181 9.878 2.030 -7.199 1.00 0.15 O ATOM 1496 CB ALA A 181 10.810 4.048 -4.662 1.00 0.13 C ATOM 0 H ALA A 181 8.412 4.574 -4.400 1.00 0.12 H new ATOM 0 HA ALA A 181 10.223 4.428 -6.688 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.720 3.516 -4.941 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.048 5.092 -4.459 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.383 3.593 -3.768 1.00 0.13 H new ATOM 1502 N THR A 182 8.866 1.835 -5.199 1.00 0.15 N ATOM 1503 CA THR A 182 8.587 0.415 -5.332 1.00 0.18 C ATOM 1504 C THR A 182 7.812 -0.087 -4.138 1.00 0.17 C ATOM 1505 O THR A 182 7.569 0.641 -3.178 1.00 0.16 O ATOM 1506 CB THR A 182 9.879 -0.412 -5.418 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.594 -1.734 -5.898 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.516 -0.489 -4.045 1.00 0.24 C ATOM 0 H THR A 182 8.513 2.250 -4.337 1.00 0.15 H new ATOM 0 HA THR A 182 8.010 0.297 -6.249 1.00 0.18 H new ATOM 0 HB THR A 182 10.566 0.069 -6.114 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.426 -2.250 -5.950 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.433 -1.075 -4.102 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.749 0.517 -3.695 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.824 -0.964 -3.349 1.00 0.24 H new ATOM 1516 N ILE A 183 7.458 -1.348 -4.232 1.00 0.20 N ATOM 1517 CA ILE A 183 6.780 -2.090 -3.208 1.00 0.18 C ATOM 1518 C ILE A 183 7.187 -3.535 -3.413 1.00 0.20 C ATOM 1519 O ILE A 183 7.287 -3.972 -4.554 1.00 0.28 O ATOM 1520 CB ILE A 183 5.260 -1.948 -3.335 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.860 -0.526 -3.047 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.543 -2.890 -2.397 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.582 0.301 -4.269 1.00 0.20 C ATOM 0 H ILE A 183 7.646 -1.905 -5.065 1.00 0.20 H new ATOM 0 HA ILE A 183 7.047 -1.724 -2.217 1.00 0.18 H new ATOM 0 HB ILE A 183 4.973 -2.208 -4.354 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.970 -0.532 -2.418 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.653 -0.048 -2.473 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.466 -2.766 -2.510 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.817 -3.918 -2.634 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.828 -2.667 -1.369 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.301 1.311 -3.969 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.476 0.343 -4.891 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.767 -0.149 -4.835 1.00 0.20 H new ATOM 1535 N VAL A 184 7.474 -4.256 -2.351 1.00 0.21 N ATOM 1536 CA VAL A 184 8.033 -5.592 -2.496 1.00 0.24 C ATOM 1537 C VAL A 184 7.452 -6.564 -1.515 1.00 0.23 C ATOM 1538 O VAL A 184 7.622 -6.379 -0.318 1.00 0.22 O ATOM 1539 CB VAL A 184 9.545 -5.574 -2.268 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.104 -6.986 -2.276 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.208 -4.694 -3.309 1.00 0.34 C ATOM 0 H VAL A 184 7.334 -3.950 -1.388 1.00 0.21 H new ATOM 0 HA VAL A 184 7.789 -5.907 -3.511 1.00 0.24 H new ATOM 0 HB VAL A 184 9.759 -5.152 -1.286 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.181 -6.952 -2.112 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.635 -7.568 -1.483 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.898 -7.453 -3.239 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.285 -4.683 -3.144 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.997 -5.086 -4.304 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.819 -3.679 -3.229 1.00 0.34 H new ATOM 1551 N ASN A 185 6.818 -7.619 -2.012 1.00 0.29 N ATOM 1552 CA ASN A 185 6.334 -8.679 -1.142 1.00 0.32 C ATOM 1553 C ASN A 185 7.521 -9.279 -0.431 1.00 0.33 C ATOM 1554 O ASN A 185 8.208 -10.151 -0.944 1.00 0.40 O ATOM 1555 CB ASN A 185 5.572 -9.751 -1.930 1.00 0.44 C ATOM 1556 CG ASN A 185 4.360 -9.195 -2.652 1.00 0.98 C ATOM 1557 OD1 ASN A 185 4.452 -8.749 -3.793 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.209 -9.225 -1.998 1.00 1.57 N ATOM 0 H ASN A 185 6.629 -7.761 -3.004 1.00 0.29 H new ATOM 0 HA ASN A 185 5.631 -8.264 -0.419 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.244 -10.209 -2.656 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.254 -10.540 -1.248 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.361 -8.870 -2.441 1.00 1.57 H new ATOM 0 HD22 ASN A 185 3.170 -9.603 -1.051 1.00 1.57 H new ATOM 1565 N MET A 186 7.712 -8.777 0.772 1.00 0.31 N ATOM 1566 CA MET A 186 8.908 -8.948 1.572 1.00 0.36 C ATOM 1567 C MET A 186 9.277 -10.373 1.779 1.00 0.43 C ATOM 1568 O MET A 186 10.430 -10.709 2.027 1.00 0.53 O ATOM 1569 CB MET A 186 8.661 -8.271 2.897 1.00 0.36 C ATOM 1570 CG MET A 186 8.872 -6.784 2.831 1.00 0.34 C ATOM 1571 SD MET A 186 10.566 -6.356 2.376 1.00 0.94 S ATOM 1572 CE MET A 186 11.495 -7.248 3.622 1.00 1.42 C ATOM 0 H MET A 186 7.004 -8.212 1.241 1.00 0.31 H new ATOM 0 HA MET A 186 9.750 -8.503 1.043 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.641 -8.476 3.222 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.326 -8.696 3.648 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.183 -6.353 2.105 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.634 -6.342 3.798 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.494 -6.821 3.706 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.985 -7.169 4.582 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.572 -8.297 3.337 1.00 1.42 H new ATOM 1582 N GLU A 187 8.294 -11.197 1.675 1.00 0.43 N ATOM 1583 CA GLU A 187 8.468 -12.579 1.898 1.00 0.51 C ATOM 1584 C GLU A 187 9.268 -13.207 0.788 1.00 0.59 C ATOM 1585 O GLU A 187 10.121 -14.069 1.001 1.00 0.68 O ATOM 1586 CB GLU A 187 7.104 -13.182 1.978 1.00 0.50 C ATOM 1587 CG GLU A 187 6.145 -12.269 2.703 1.00 0.42 C ATOM 1588 CD GLU A 187 5.117 -13.012 3.526 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.876 -12.624 4.687 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.545 -13.994 3.016 1.00 0.67 O ATOM 0 H GLU A 187 7.342 -10.924 1.431 1.00 0.43 H new ATOM 0 HA GLU A 187 9.022 -12.753 2.821 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.732 -13.380 0.973 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.157 -14.141 2.493 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.711 -11.604 3.356 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.632 -11.641 1.975 1.00 0.42 H new ATOM 1597 N ASN A 188 8.952 -12.771 -0.398 1.00 0.58 N ATOM 1598 CA ASN A 188 9.649 -13.212 -1.585 1.00 0.67 C ATOM 1599 C ASN A 188 10.771 -12.263 -1.924 1.00 0.64 C ATOM 1600 O ASN A 188 11.810 -12.700 -2.420 1.00 0.74 O ATOM 1601 CB ASN A 188 8.687 -13.334 -2.770 1.00 0.73 C ATOM 1602 CG ASN A 188 7.497 -14.223 -2.469 1.00 1.45 C ATOM 1603 OD1 ASN A 188 6.479 -13.762 -1.957 1.00 2.36 O ATOM 1604 ND2 ASN A 188 7.612 -15.497 -2.793 1.00 1.95 N ATOM 0 H ASN A 188 8.205 -12.100 -0.575 1.00 0.58 H new ATOM 0 HA ASN A 188 10.071 -14.196 -1.381 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.333 -12.342 -3.048 1.00 0.73 H new ATOM 0 HB3 ASN A 188 9.225 -13.733 -3.630 1.00 0.73 H new ATOM 0 HD21 ASN A 188 6.838 -16.139 -2.620 1.00 1.95 H new ATOM 0 HD22 ASN A 188 8.474 -15.840 -3.216 1.00 1.95 H new ATOM 1611 N ASN A 189 10.567 -10.980 -1.620 1.00 0.53 N ATOM 1612 CA ASN A 189 11.566 -9.943 -1.827 1.00 0.52 C ATOM 1613 C ASN A 189 12.395 -10.163 -3.098 1.00 0.61 C ATOM 1614 O ASN A 189 13.623 -10.057 -3.105 1.00 0.71 O ATOM 1615 CB ASN A 189 12.409 -9.830 -0.561 1.00 0.59 C ATOM 1616 CG ASN A 189 13.335 -11.010 -0.292 1.00 1.12 C ATOM 1617 OD1 ASN A 189 12.931 -12.005 0.313 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.586 -10.899 -0.706 1.00 1.74 N ATOM 0 H ASN A 189 9.695 -10.634 -1.220 1.00 0.53 H new ATOM 0 HA ASN A 189 11.070 -8.988 -2.002 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.011 -8.923 -0.624 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.741 -9.711 0.292 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.251 -11.652 -0.527 1.00 1.74 H new ATOM 0 HD22 ASN A 189 14.886 -10.061 -1.204 1.00 1.74 H new