USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 GLN : amide:sc= -1.18 K(o=-0.57,f=0.53) USER MOD Set 1.2: A 151 SER OG : rot 180:sc= 0.615 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 120 SER OG : rot 94:sc= 1.24 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl -132:sc= 0 (180deg=-0.93) USER MOD Single : A 126 LYS NZ :NH3+ 147:sc= -2.46! (180deg=-4.31!) USER MOD Single : A 131 THR OG1 : rot -38:sc= 0.126 USER MOD Single : A 132 GLN : amide:sc= -0.647 K(o=-0.65,f=0) USER MOD Single : A 133 TYR OH : rot 75:sc= -4.62! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl -149:sc= -0.423 (180deg=-2.57) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 150 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.0039) USER MOD Single : A 154 MET CE :methyl -157:sc= 0 (180deg=-0.458) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 185 ASN : amide:sc= -0.435 K(o=-0.44,f=-3.7!) USER MOD Single : A 186 MET CE :methyl 155:sc= -1.6 (180deg=-3.1!) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 189 ASN : amide:sc= 0.0644 X(o=0.064,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.110 8.344 -8.057 1.00 0.27 N ATOM 468 CA THR A 118 4.160 9.320 -7.890 1.00 0.26 C ATOM 469 C THR A 118 3.820 10.198 -6.710 1.00 0.25 C ATOM 470 O THR A 118 2.911 11.028 -6.772 1.00 0.32 O ATOM 471 CB THR A 118 4.355 10.160 -9.159 1.00 0.30 C ATOM 472 OG1 THR A 118 5.062 9.408 -10.154 1.00 0.32 O ATOM 473 CG2 THR A 118 5.076 11.479 -8.891 1.00 0.32 C ATOM 0 HA THR A 118 5.102 8.803 -7.706 1.00 0.26 H new ATOM 0 HB THR A 118 3.359 10.407 -9.526 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.177 9.956 -10.958 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.185 12.030 -9.825 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.497 12.073 -8.185 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.062 11.276 -8.472 1.00 0.32 H new ATOM 481 N ILE A 119 4.498 9.949 -5.612 1.00 0.19 N ATOM 482 CA ILE A 119 4.208 10.622 -4.386 1.00 0.18 C ATOM 483 C ILE A 119 5.467 11.116 -3.706 1.00 0.19 C ATOM 484 O ILE A 119 6.576 10.701 -4.001 1.00 0.20 O ATOM 485 CB ILE A 119 3.584 9.672 -3.400 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.662 8.808 -2.841 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.531 8.825 -4.001 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.258 8.245 -1.567 1.00 0.17 C ATOM 0 H ILE A 119 5.261 9.275 -5.554 1.00 0.19 H new ATOM 0 HA ILE A 119 3.548 11.449 -4.648 1.00 0.18 H new ATOM 0 HB ILE A 119 3.101 10.263 -2.622 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.892 8.006 -3.542 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.574 9.392 -2.714 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.119 8.162 -3.240 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.738 9.458 -4.398 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.959 8.230 -4.808 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.059 7.618 -1.176 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.051 9.051 -0.862 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.360 7.643 -1.704 1.00 0.17 H new ATOM 500 N SER A 120 5.239 11.859 -2.679 1.00 0.21 N ATOM 501 CA SER A 120 6.305 12.480 -1.925 1.00 0.28 C ATOM 502 C SER A 120 6.400 11.819 -0.559 1.00 0.28 C ATOM 503 O SER A 120 5.485 11.095 -0.167 1.00 0.25 O ATOM 504 CB SER A 120 6.043 13.979 -1.769 1.00 0.36 C ATOM 505 OG SER A 120 5.728 14.576 -3.015 1.00 1.29 O ATOM 0 H SER A 120 4.304 12.063 -2.325 1.00 0.21 H new ATOM 0 HA SER A 120 7.247 12.351 -2.458 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.222 14.137 -1.069 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.922 14.462 -1.343 1.00 0.36 H new ATOM 0 HG SER A 120 4.755 14.593 -3.133 1.00 1.29 H new ATOM 511 N LYS A 121 7.487 12.053 0.154 1.00 0.35 N ATOM 512 CA LYS A 121 7.644 11.490 1.502 1.00 0.40 C ATOM 513 C LYS A 121 6.431 11.814 2.376 1.00 0.36 C ATOM 514 O LYS A 121 5.847 10.932 3.007 1.00 0.38 O ATOM 515 CB LYS A 121 8.918 12.006 2.175 1.00 0.50 C ATOM 516 CG LYS A 121 10.198 11.562 1.487 1.00 1.34 C ATOM 517 CD LYS A 121 11.433 11.955 2.286 1.00 1.71 C ATOM 518 CE LYS A 121 11.529 13.461 2.479 1.00 2.46 C ATOM 519 NZ LYS A 121 12.756 13.847 3.222 1.00 3.26 N ATOM 0 H LYS A 121 8.272 12.621 -0.165 1.00 0.35 H new ATOM 0 HA LYS A 121 7.722 10.408 1.393 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.889 13.095 2.200 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.935 11.664 3.210 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.182 10.481 1.351 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.250 12.007 0.494 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.406 11.465 3.259 1.00 1.71 H new ATOM 0 HD3 LYS A 121 12.326 11.597 1.773 1.00 1.71 H new ATOM 0 HE2 LYS A 121 11.524 13.953 1.506 1.00 2.46 H new ATOM 0 HE3 LYS A 121 10.651 13.814 3.020 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 12.784 14.881 3.333 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 12.749 13.398 4.160 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 13.595 13.532 2.694 1.00 3.26 H new ATOM 533 N ASN A 122 6.031 13.077 2.368 1.00 0.37 N ATOM 534 CA ASN A 122 4.898 13.525 3.155 1.00 0.37 C ATOM 535 C ASN A 122 3.615 13.204 2.444 1.00 0.30 C ATOM 536 O ASN A 122 2.545 13.194 3.052 1.00 0.29 O ATOM 537 CB ASN A 122 4.981 15.025 3.442 1.00 0.48 C ATOM 538 CG ASN A 122 6.054 15.365 4.459 1.00 1.22 C ATOM 539 OD1 ASN A 122 7.211 15.597 4.109 1.00 2.17 O ATOM 540 ND2 ASN A 122 5.674 15.405 5.726 1.00 1.64 N ATOM 0 H ASN A 122 6.479 13.812 1.821 1.00 0.37 H new ATOM 0 HA ASN A 122 4.920 12.998 4.109 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.184 15.558 2.513 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.016 15.376 3.807 1.00 0.48 H new ATOM 0 HD21 ASN A 122 6.350 15.635 6.454 1.00 1.64 H new ATOM 0 HD22 ASN A 122 4.705 15.206 5.974 1.00 1.64 H new ATOM 547 N GLU A 123 3.714 12.918 1.152 1.00 0.27 N ATOM 548 CA GLU A 123 2.558 12.560 0.402 1.00 0.25 C ATOM 549 C GLU A 123 2.052 11.239 0.850 1.00 0.21 C ATOM 550 O GLU A 123 0.889 10.948 0.755 1.00 0.26 O ATOM 551 CB GLU A 123 2.808 12.536 -1.076 1.00 0.27 C ATOM 552 CG GLU A 123 2.053 13.616 -1.791 1.00 0.30 C ATOM 553 CD GLU A 123 2.193 13.528 -3.292 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.256 13.916 -3.815 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.244 13.067 -3.955 1.00 0.50 O ATOM 0 H GLU A 123 4.585 12.932 0.621 1.00 0.27 H new ATOM 0 HA GLU A 123 1.809 13.330 0.587 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.875 12.653 -1.265 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.518 11.565 -1.477 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.998 13.554 -1.524 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.411 14.589 -1.453 1.00 0.30 H new ATOM 562 N MET A 124 2.908 10.441 1.375 1.00 0.19 N ATOM 563 CA MET A 124 2.446 9.173 1.827 1.00 0.20 C ATOM 564 C MET A 124 1.941 9.293 3.229 1.00 0.17 C ATOM 565 O MET A 124 1.038 8.581 3.631 1.00 0.16 O ATOM 566 CB MET A 124 3.491 8.095 1.718 1.00 0.27 C ATOM 567 CG MET A 124 2.869 6.719 1.591 1.00 1.21 C ATOM 568 SD MET A 124 1.779 6.577 0.164 1.00 2.28 S ATOM 569 CE MET A 124 1.083 4.953 0.436 1.00 3.06 C ATOM 0 H MET A 124 3.902 10.630 1.502 1.00 0.19 H new ATOM 0 HA MET A 124 1.631 8.868 1.171 1.00 0.20 H new ATOM 0 HB2 MET A 124 4.124 8.289 0.852 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.135 8.123 2.597 1.00 0.27 H new ATOM 0 HG2 MET A 124 3.660 5.973 1.514 1.00 1.21 H new ATOM 0 HG3 MET A 124 2.306 6.494 2.497 1.00 1.21 H new ATOM 0 HE1 MET A 124 1.137 4.375 -0.486 1.00 3.06 H new ATOM 0 HE2 MET A 124 1.645 4.443 1.218 1.00 3.06 H new ATOM 0 HE3 MET A 124 0.041 5.050 0.742 1.00 3.06 H new ATOM 579 N VAL A 125 2.501 10.243 3.944 1.00 0.20 N ATOM 580 CA VAL A 125 2.145 10.488 5.324 1.00 0.22 C ATOM 581 C VAL A 125 0.671 10.807 5.482 1.00 0.21 C ATOM 582 O VAL A 125 0.053 10.559 6.513 1.00 0.23 O ATOM 583 CB VAL A 125 2.980 11.639 5.881 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.228 12.364 6.982 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.317 11.111 6.363 1.00 0.32 C ATOM 0 H VAL A 125 3.220 10.870 3.583 1.00 0.20 H new ATOM 0 HA VAL A 125 2.351 9.575 5.882 1.00 0.22 H new ATOM 0 HB VAL A 125 3.167 12.366 5.091 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.841 13.180 7.365 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.297 12.766 6.583 1.00 0.35 H new ATOM 0 HG13 VAL A 125 2.006 11.667 7.790 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.911 11.934 6.760 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.155 10.370 7.146 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.847 10.649 5.530 1.00 0.32 H new ATOM 595 N LYS A 126 0.144 11.412 4.478 1.00 0.20 N ATOM 596 CA LYS A 126 -1.274 11.596 4.378 1.00 0.20 C ATOM 597 C LYS A 126 -1.916 10.341 3.842 1.00 0.16 C ATOM 598 O LYS A 126 -2.929 9.919 4.348 1.00 0.19 O ATOM 599 CB LYS A 126 -1.540 12.744 3.450 1.00 0.24 C ATOM 600 CG LYS A 126 -0.990 12.441 2.081 1.00 0.32 C ATOM 601 CD LYS A 126 -0.136 13.501 1.456 1.00 0.39 C ATOM 602 CE LYS A 126 -0.798 14.868 1.373 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.948 15.544 2.695 1.00 1.51 N ATOM 0 H LYS A 126 0.677 11.797 3.698 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.694 11.808 5.361 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.612 12.930 3.387 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.082 13.652 3.842 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.405 11.524 2.144 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.828 12.240 1.413 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.788 13.591 2.028 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.141 13.183 0.451 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.211 15.507 0.713 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.782 14.758 0.917 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -0.859 16.573 2.571 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.883 15.323 3.094 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.207 15.208 3.343 1.00 1.51 H new ATOM 617 N LEU A 127 -1.299 9.740 2.831 1.00 0.15 N ATOM 618 CA LEU A 127 -1.866 8.605 2.148 1.00 0.19 C ATOM 619 C LEU A 127 -2.068 7.439 3.009 1.00 0.20 C ATOM 620 O LEU A 127 -3.049 6.766 2.813 1.00 0.24 O ATOM 621 CB LEU A 127 -1.054 8.205 0.967 1.00 0.25 C ATOM 622 CG LEU A 127 -1.592 8.816 -0.305 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.505 9.548 -1.092 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.290 7.755 -1.123 1.00 0.40 C ATOM 0 H LEU A 127 -0.392 10.033 2.469 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.848 8.945 1.819 1.00 0.19 H new ATOM 0 HB2 LEU A 127 -0.020 8.516 1.113 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -1.050 7.119 0.877 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.327 9.578 -0.045 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.936 9.972 -1.999 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.089 10.348 -0.480 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.286 8.847 -1.359 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.677 8.199 -2.040 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.583 6.964 -1.373 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -3.115 7.335 -0.547 1.00 0.40 H new ATOM 636 N LEU A 128 -1.199 7.158 3.953 1.00 0.18 N ATOM 637 CA LEU A 128 -1.508 6.051 4.784 1.00 0.24 C ATOM 638 C LEU A 128 -2.801 6.357 5.546 1.00 0.26 C ATOM 639 O LEU A 128 -3.696 5.534 5.634 1.00 0.32 O ATOM 640 CB LEU A 128 -0.349 5.567 5.696 1.00 0.28 C ATOM 641 CG LEU A 128 0.496 6.568 6.466 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.744 6.868 5.730 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.229 7.812 6.706 1.00 0.21 C ATOM 0 H LEU A 128 -0.329 7.653 4.147 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.664 5.187 4.139 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.779 4.880 6.425 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.330 4.985 5.072 1.00 0.28 H new ATOM 0 HG LEU A 128 0.736 6.114 7.428 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.337 7.587 6.296 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.317 5.950 5.596 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.499 7.288 4.755 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.407 8.503 7.259 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.509 8.260 5.752 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.128 7.603 7.286 1.00 0.21 H new ATOM 655 N GLU A 129 -2.934 7.587 5.990 1.00 0.23 N ATOM 656 CA GLU A 129 -4.106 8.039 6.707 1.00 0.28 C ATOM 657 C GLU A 129 -5.263 8.075 5.759 1.00 0.25 C ATOM 658 O GLU A 129 -6.425 7.856 6.106 1.00 0.31 O ATOM 659 CB GLU A 129 -3.838 9.428 7.208 1.00 0.32 C ATOM 660 CG GLU A 129 -2.557 9.487 7.995 1.00 0.44 C ATOM 661 CD GLU A 129 -2.516 8.495 9.145 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.584 7.955 9.509 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.411 8.212 9.655 1.00 2.23 O ATOM 0 H GLU A 129 -2.225 8.309 5.862 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.332 7.372 7.539 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.781 10.117 6.365 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.667 9.758 7.834 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.718 9.294 7.327 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.426 10.495 8.388 1.00 0.44 H new ATOM 670 N ALA A 130 -4.885 8.336 4.537 1.00 0.21 N ATOM 671 CA ALA A 130 -5.794 8.545 3.462 1.00 0.25 C ATOM 672 C ALA A 130 -6.198 7.207 2.856 1.00 0.28 C ATOM 673 O ALA A 130 -7.092 7.127 2.017 1.00 0.33 O ATOM 674 CB ALA A 130 -5.129 9.443 2.423 1.00 0.26 C ATOM 0 H ALA A 130 -3.905 8.410 4.262 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.699 9.033 3.824 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.816 9.611 1.594 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.871 10.399 2.880 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.224 8.962 2.053 1.00 0.26 H new ATOM 680 N THR A 131 -5.531 6.153 3.316 1.00 0.26 N ATOM 681 CA THR A 131 -5.719 4.827 2.781 1.00 0.29 C ATOM 682 C THR A 131 -6.163 3.896 3.908 1.00 0.29 C ATOM 683 O THR A 131 -6.425 2.708 3.706 1.00 0.33 O ATOM 684 CB THR A 131 -4.424 4.316 2.108 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.681 3.128 1.348 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.374 4.033 3.152 1.00 0.28 C ATOM 0 H THR A 131 -4.847 6.204 4.071 1.00 0.26 H new ATOM 0 HA THR A 131 -6.492 4.850 2.013 1.00 0.29 H new ATOM 0 HB THR A 131 -4.062 5.091 1.433 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.327 2.567 1.826 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.466 3.674 2.667 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.153 4.947 3.703 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.742 3.273 3.842 1.00 0.28 H new ATOM 694 N GLN A 132 -6.229 4.495 5.099 1.00 0.25 N ATOM 695 CA GLN A 132 -6.641 3.844 6.340 1.00 0.25 C ATOM 696 C GLN A 132 -5.545 2.964 6.928 1.00 0.21 C ATOM 697 O GLN A 132 -5.757 1.795 7.244 1.00 0.23 O ATOM 698 CB GLN A 132 -7.932 3.052 6.174 1.00 0.32 C ATOM 699 CG GLN A 132 -9.129 3.914 5.805 1.00 0.41 C ATOM 700 CD GLN A 132 -10.369 3.104 5.482 1.00 1.38 C ATOM 701 OE1 GLN A 132 -11.202 3.524 4.681 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.501 1.940 6.096 1.00 2.15 N ATOM 0 H GLN A 132 -5.989 5.478 5.228 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.832 4.650 7.048 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.788 2.295 5.403 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.147 2.524 7.103 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.350 4.591 6.630 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.872 4.533 4.945 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -9.787 1.627 6.754 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -11.316 1.356 5.911 1.00 2.15 H new ATOM 711 N TYR A 133 -4.385 3.560 7.089 1.00 0.17 N ATOM 712 CA TYR A 133 -3.223 2.920 7.624 1.00 0.15 C ATOM 713 C TYR A 133 -2.406 4.002 8.299 1.00 0.15 C ATOM 714 O TYR A 133 -2.393 5.135 7.873 1.00 0.18 O ATOM 715 CB TYR A 133 -2.440 2.169 6.535 1.00 0.16 C ATOM 716 CG TYR A 133 -0.932 2.364 6.553 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.233 2.205 7.742 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.190 2.705 5.413 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.129 2.374 7.793 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.151 2.855 5.470 1.00 0.25 C ATOM 721 CZ TYR A 133 1.808 2.744 6.523 1.00 0.19 C ATOM 722 OH TYR A 133 3.162 2.863 6.687 1.00 0.27 O ATOM 0 H TYR A 133 -4.228 4.537 6.840 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.492 2.153 8.350 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.651 1.104 6.631 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.817 2.482 5.561 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.769 1.944 8.642 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.700 2.850 4.472 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.681 2.244 8.712 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.681 3.083 4.557 1.00 0.25 H new ATOM 0 HH TYR A 133 3.562 1.971 6.761 1.00 0.27 H new ATOM 732 N ARG A 134 -1.785 3.677 9.381 1.00 0.15 N ATOM 733 CA ARG A 134 -1.077 4.657 10.159 1.00 0.18 C ATOM 734 C ARG A 134 0.166 3.984 10.674 1.00 0.19 C ATOM 735 O ARG A 134 0.220 2.757 10.650 1.00 0.18 O ATOM 736 CB ARG A 134 -1.975 5.070 11.300 1.00 0.18 C ATOM 737 CG ARG A 134 -3.406 5.302 10.843 1.00 0.22 C ATOM 738 CD ARG A 134 -4.168 3.994 10.794 1.00 0.25 C ATOM 739 NE ARG A 134 -4.677 3.594 12.100 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.993 2.345 12.416 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.913 1.392 11.500 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.403 2.054 13.642 1.00 0.49 N ATOM 0 H ARG A 134 -1.749 2.730 9.757 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.807 5.542 9.583 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.961 4.299 12.070 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.587 5.982 11.755 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.903 5.994 11.523 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.408 5.768 9.857 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -5.001 4.088 10.097 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.515 3.211 10.407 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.797 4.315 12.811 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.609 1.619 10.553 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.156 0.431 11.741 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.476 2.791 14.344 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.646 1.093 13.884 1.00 0.49 H new ATOM 756 N GLN A 135 1.151 4.735 11.130 1.00 0.22 N ATOM 757 CA GLN A 135 2.382 4.119 11.590 1.00 0.25 C ATOM 758 C GLN A 135 2.115 3.097 12.646 1.00 0.24 C ATOM 759 O GLN A 135 1.065 3.090 13.301 1.00 0.30 O ATOM 760 CB GLN A 135 3.379 5.123 12.138 1.00 0.35 C ATOM 761 CG GLN A 135 3.184 5.412 13.611 1.00 0.88 C ATOM 762 CD GLN A 135 3.743 6.760 14.020 1.00 1.36 C ATOM 763 OE1 GLN A 135 4.905 6.872 14.404 1.00 1.87 O ATOM 764 NE2 GLN A 135 2.921 7.793 13.937 1.00 1.96 N ATOM 0 H GLN A 135 1.126 5.753 11.192 1.00 0.22 H new ATOM 0 HA GLN A 135 2.816 3.647 10.708 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.389 4.746 11.979 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.294 6.054 11.577 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.120 5.377 13.846 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.666 4.630 14.198 1.00 0.88 H new ATOM 0 HE21 GLN A 135 1.963 7.658 13.613 1.00 1.96 H new ATOM 0 HE22 GLN A 135 3.245 8.725 14.197 1.00 1.96 H new ATOM 773 N VAL A 136 3.090 2.257 12.835 1.00 0.23 N ATOM 774 CA VAL A 136 2.880 1.096 13.613 1.00 0.24 C ATOM 775 C VAL A 136 4.138 0.688 14.367 1.00 0.27 C ATOM 776 O VAL A 136 5.254 0.998 13.955 1.00 0.27 O ATOM 777 CB VAL A 136 2.366 -0.052 12.698 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.760 -1.429 13.185 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.867 0.020 12.525 1.00 0.20 C ATOM 0 H VAL A 136 4.032 2.363 12.458 1.00 0.23 H new ATOM 0 HA VAL A 136 2.124 1.312 14.368 1.00 0.24 H new ATOM 0 HB VAL A 136 2.852 0.099 11.734 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.369 -2.182 12.501 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.847 -1.504 13.225 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.348 -1.594 14.181 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.536 -0.794 11.881 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.384 -0.067 13.498 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.599 0.974 12.071 1.00 0.20 H new ATOM 789 N SER A 137 3.938 0.019 15.484 1.00 0.31 N ATOM 790 CA SER A 137 5.017 -0.558 16.255 1.00 0.35 C ATOM 791 C SER A 137 5.798 -1.568 15.452 1.00 0.33 C ATOM 792 O SER A 137 7.025 -1.529 15.379 1.00 0.35 O ATOM 793 CB SER A 137 4.403 -1.263 17.431 1.00 0.39 C ATOM 794 OG SER A 137 4.090 -0.357 18.474 1.00 0.73 O ATOM 0 H SER A 137 3.014 -0.140 15.885 1.00 0.31 H new ATOM 0 HA SER A 137 5.700 0.235 16.558 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.498 -1.781 17.114 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.092 -2.022 17.802 1.00 0.39 H new ATOM 0 HG SER A 137 3.691 -0.846 19.223 1.00 0.73 H new ATOM 800 N LYS A 138 5.060 -2.456 14.847 1.00 0.30 N ATOM 801 CA LYS A 138 5.617 -3.509 14.057 1.00 0.30 C ATOM 802 C LYS A 138 4.572 -4.017 13.115 1.00 0.27 C ATOM 803 O LYS A 138 3.527 -4.536 13.511 1.00 0.28 O ATOM 804 CB LYS A 138 6.109 -4.611 14.936 1.00 0.35 C ATOM 805 CG LYS A 138 5.059 -5.084 15.886 1.00 0.37 C ATOM 806 CD LYS A 138 5.519 -6.312 16.648 1.00 0.43 C ATOM 807 CE LYS A 138 5.861 -7.445 15.694 1.00 0.44 C ATOM 808 NZ LYS A 138 6.434 -8.620 16.399 1.00 0.51 N ATOM 0 H LYS A 138 4.041 -2.466 14.892 1.00 0.30 H new ATOM 0 HA LYS A 138 6.464 -3.128 13.486 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.441 -5.446 14.319 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.977 -4.266 15.498 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.816 -4.287 16.589 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.146 -5.315 15.337 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.391 -6.064 17.253 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.736 -6.633 17.335 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.963 -7.749 15.157 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.572 -7.088 14.949 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.652 -9.367 15.709 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.306 -8.338 16.891 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.746 -8.979 17.092 1.00 0.51 H new ATOM 822 N MET A 139 4.842 -3.820 11.872 1.00 0.25 N ATOM 823 CA MET A 139 3.857 -4.019 10.870 1.00 0.25 C ATOM 824 C MET A 139 3.665 -5.489 10.559 1.00 0.26 C ATOM 825 O MET A 139 4.463 -6.149 9.889 1.00 0.30 O ATOM 826 CB MET A 139 4.245 -3.218 9.645 1.00 0.33 C ATOM 827 CG MET A 139 5.395 -3.796 8.854 1.00 0.70 C ATOM 828 SD MET A 139 6.878 -4.037 9.865 1.00 2.16 S ATOM 829 CE MET A 139 8.051 -4.623 8.655 1.00 2.71 C ATOM 0 H MET A 139 5.751 -3.517 11.522 1.00 0.25 H new ATOM 0 HA MET A 139 2.891 -3.666 11.231 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.377 -3.135 8.991 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.507 -2.207 9.956 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.093 -4.751 8.424 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.630 -3.132 8.022 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.759 -5.301 9.133 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.522 -5.151 7.861 1.00 2.71 H new ATOM 0 HE3 MET A 139 8.590 -3.776 8.231 1.00 2.71 H new ATOM 839 N THR A 140 2.614 -6.003 11.119 1.00 0.25 N ATOM 840 CA THR A 140 2.051 -7.228 10.648 1.00 0.26 C ATOM 841 C THR A 140 0.625 -7.307 11.082 1.00 0.27 C ATOM 842 O THR A 140 0.295 -7.856 12.128 1.00 0.30 O ATOM 843 CB THR A 140 2.853 -8.411 11.197 1.00 0.31 C ATOM 844 OG1 THR A 140 2.203 -9.656 10.908 1.00 0.35 O ATOM 845 CG2 THR A 140 3.069 -8.250 12.696 1.00 0.34 C ATOM 0 H THR A 140 2.125 -5.587 11.912 1.00 0.25 H new ATOM 0 HA THR A 140 2.092 -7.264 9.559 1.00 0.26 H new ATOM 0 HB THR A 140 3.825 -8.423 10.704 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.737 -10.395 11.268 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.640 -9.098 13.074 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.618 -7.328 12.888 1.00 0.34 H new ATOM 0 HG23 THR A 140 2.104 -8.209 13.200 1.00 0.34 H new ATOM 853 N ARG A 141 -0.219 -6.858 10.189 1.00 0.25 N ATOM 854 CA ARG A 141 -1.643 -6.936 10.339 1.00 0.28 C ATOM 855 C ARG A 141 -2.231 -7.018 8.958 1.00 0.30 C ATOM 856 O ARG A 141 -1.539 -6.718 7.992 1.00 0.45 O ATOM 857 CB ARG A 141 -2.176 -5.693 11.056 1.00 0.30 C ATOM 858 CG ARG A 141 -1.348 -5.273 12.247 1.00 0.38 C ATOM 859 CD ARG A 141 -1.540 -6.269 13.350 1.00 1.01 C ATOM 860 NE ARG A 141 -1.145 -5.760 14.659 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.627 -6.520 15.624 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.409 -7.814 15.409 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.328 -5.985 16.801 1.00 1.97 N ATOM 0 H ARG A 141 0.076 -6.418 9.317 1.00 0.25 H new ATOM 0 HA ARG A 141 -1.915 -7.807 10.935 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.220 -4.867 10.346 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.197 -5.885 11.385 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.295 -5.214 11.972 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.646 -4.279 12.581 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.588 -6.566 13.384 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.962 -7.165 13.126 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.273 -4.766 14.847 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.638 -8.226 14.505 1.00 2.38 H new ATOM 0 HH12 ARG A 141 -0.013 -8.394 16.148 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.495 -4.993 16.967 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.068 -6.566 17.540 1.00 1.97 H new ATOM 877 N PRO A 142 -3.487 -7.401 8.796 1.00 0.36 N ATOM 878 CA PRO A 142 -4.125 -7.178 7.528 1.00 0.39 C ATOM 879 C PRO A 142 -4.602 -5.733 7.434 1.00 0.32 C ATOM 880 O PRO A 142 -5.530 -5.327 8.134 1.00 0.37 O ATOM 881 CB PRO A 142 -5.302 -8.148 7.550 1.00 0.53 C ATOM 882 CG PRO A 142 -5.624 -8.344 8.999 1.00 0.79 C ATOM 883 CD PRO A 142 -4.351 -8.085 9.772 1.00 0.55 C ATOM 0 HA PRO A 142 -3.469 -7.338 6.672 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.156 -7.742 7.008 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.042 -9.093 7.073 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.413 -7.661 9.315 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -5.987 -9.356 9.180 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.534 -7.465 10.650 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -3.901 -9.013 10.125 1.00 0.55 H new ATOM 891 N GLY A 143 -3.957 -4.961 6.574 1.00 0.27 N ATOM 892 CA GLY A 143 -4.425 -3.610 6.300 1.00 0.27 C ATOM 893 C GLY A 143 -3.819 -2.542 7.206 1.00 0.26 C ATOM 894 O GLY A 143 -4.181 -1.373 7.107 1.00 0.38 O ATOM 0 H GLY A 143 -3.121 -5.240 6.060 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.198 -3.362 5.263 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.510 -3.585 6.403 1.00 0.27 H new ATOM 898 N GLU A 144 -2.870 -2.921 8.054 1.00 0.17 N ATOM 899 CA GLU A 144 -2.239 -1.967 8.974 1.00 0.14 C ATOM 900 C GLU A 144 -0.749 -2.069 8.774 1.00 0.11 C ATOM 901 O GLU A 144 -0.204 -3.175 8.782 1.00 0.12 O ATOM 902 CB GLU A 144 -2.566 -2.301 10.425 1.00 0.18 C ATOM 903 CG GLU A 144 -3.994 -2.786 10.659 1.00 0.40 C ATOM 904 CD GLU A 144 -5.007 -1.665 10.740 1.00 0.84 C ATOM 905 OE1 GLU A 144 -5.552 -1.281 9.685 1.00 1.49 O ATOM 906 OE2 GLU A 144 -5.257 -1.154 11.846 1.00 1.44 O ATOM 0 H GLU A 144 -2.518 -3.876 8.128 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.608 -0.962 8.768 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.874 -3.068 10.772 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.392 -1.415 11.036 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.276 -3.462 9.852 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.027 -3.362 11.584 1.00 0.40 H new ATOM 913 N PHE A 145 -0.071 -0.948 8.617 1.00 0.10 N ATOM 914 CA PHE A 145 1.303 -1.013 8.141 1.00 0.10 C ATOM 915 C PHE A 145 2.200 -0.097 8.963 1.00 0.09 C ATOM 916 O PHE A 145 1.719 0.615 9.827 1.00 0.10 O ATOM 917 CB PHE A 145 1.401 -0.649 6.643 1.00 0.16 C ATOM 918 CG PHE A 145 0.242 -1.060 5.744 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.350 -2.299 5.892 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.261 -0.219 4.776 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.409 -2.691 5.096 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.319 -0.599 3.974 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.859 -1.785 4.064 1.00 0.27 C ATOM 0 H PHE A 145 -0.430 -0.012 8.803 1.00 0.10 H new ATOM 0 HA PHE A 145 1.643 -2.042 8.261 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.520 0.432 6.566 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.311 -1.099 6.246 1.00 0.16 H new ATOM 0 HD1 PHE A 145 0.023 -2.976 6.646 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.181 0.757 4.642 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.887 -3.648 5.241 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.711 0.103 3.253 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.634 -2.085 3.374 1.00 0.27 H new ATOM 933 N THR A 146 3.501 -0.109 8.702 1.00 0.09 N ATOM 934 CA THR A 146 4.413 0.750 9.441 1.00 0.12 C ATOM 935 C THR A 146 4.991 1.838 8.572 1.00 0.12 C ATOM 936 O THR A 146 5.308 1.629 7.398 1.00 0.15 O ATOM 937 CB THR A 146 5.584 -0.019 10.060 1.00 0.15 C ATOM 938 OG1 THR A 146 6.168 -0.896 9.094 1.00 0.16 O ATOM 939 CG2 THR A 146 5.165 -0.786 11.286 1.00 0.19 C ATOM 0 H THR A 146 3.942 -0.696 7.994 1.00 0.09 H new ATOM 0 HA THR A 146 3.805 1.183 10.235 1.00 0.12 H new ATOM 0 HB THR A 146 6.330 0.711 10.373 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.916 -1.380 9.502 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.025 -1.317 11.694 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.778 -0.094 12.034 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.389 -1.503 11.019 1.00 0.19 H new ATOM 947 N VAL A 147 5.128 2.993 9.176 1.00 0.14 N ATOM 948 CA VAL A 147 5.620 4.178 8.498 1.00 0.15 C ATOM 949 C VAL A 147 7.060 4.509 8.909 1.00 0.23 C ATOM 950 O VAL A 147 7.445 4.291 10.060 1.00 0.29 O ATOM 951 CB VAL A 147 4.705 5.363 8.839 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.283 6.674 8.331 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.325 5.148 8.270 1.00 0.73 C ATOM 0 H VAL A 147 4.901 3.143 10.159 1.00 0.14 H new ATOM 0 HA VAL A 147 5.616 3.986 7.425 1.00 0.15 H new ATOM 0 HB VAL A 147 4.634 5.423 9.925 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.611 7.492 8.589 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.256 6.845 8.791 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.397 6.626 7.248 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.691 5.998 8.522 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.389 5.052 7.186 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.896 4.238 8.690 1.00 0.73 H new ATOM 963 N GLN A 148 7.854 5.029 7.968 1.00 0.37 N ATOM 964 CA GLN A 148 9.199 5.498 8.284 1.00 0.51 C ATOM 965 C GLN A 148 9.454 6.890 7.686 1.00 0.58 C ATOM 966 O GLN A 148 9.213 7.901 8.346 1.00 1.16 O ATOM 967 CB GLN A 148 10.260 4.505 7.802 1.00 0.57 C ATOM 968 CG GLN A 148 11.653 4.809 8.334 1.00 1.20 C ATOM 969 CD GLN A 148 12.697 3.812 7.873 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.651 3.519 8.596 1.00 2.45 O ATOM 971 NE2 GLN A 148 12.547 3.304 6.661 1.00 2.15 N ATOM 0 H GLN A 148 7.588 5.134 6.989 1.00 0.37 H new ATOM 0 HA GLN A 148 9.273 5.573 9.369 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.973 3.499 8.109 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.285 4.511 6.712 1.00 0.57 H new ATOM 0 HG2 GLN A 148 11.947 5.808 8.014 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.625 4.819 9.424 1.00 1.20 H new ATOM 0 HE21 GLN A 148 11.744 3.571 6.092 1.00 2.15 H new ATOM 0 HE22 GLN A 148 13.235 2.645 6.295 1.00 2.15 H new ATOM 980 N ALA A 149 9.912 6.944 6.434 1.00 0.40 N ATOM 981 CA ALA A 149 10.234 8.222 5.792 1.00 0.39 C ATOM 982 C ALA A 149 10.270 8.093 4.268 1.00 0.31 C ATOM 983 O ALA A 149 9.293 8.409 3.593 1.00 0.37 O ATOM 984 CB ALA A 149 11.560 8.765 6.311 1.00 0.49 C ATOM 0 H ALA A 149 10.068 6.125 5.847 1.00 0.40 H new ATOM 0 HA ALA A 149 9.442 8.926 6.048 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.781 9.714 5.822 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.494 8.918 7.388 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.355 8.052 6.094 1.00 0.49 H new ATOM 990 N ASN A 150 11.394 7.618 3.731 1.00 0.26 N ATOM 991 CA ASN A 150 11.532 7.421 2.284 1.00 0.24 C ATOM 992 C ASN A 150 10.915 6.123 1.877 1.00 0.19 C ATOM 993 O ASN A 150 10.861 5.796 0.698 1.00 0.20 O ATOM 994 CB ASN A 150 12.980 7.360 1.843 1.00 0.28 C ATOM 995 CG ASN A 150 13.763 8.619 2.167 1.00 0.39 C ATOM 996 OD1 ASN A 150 14.361 8.735 3.238 1.00 1.02 O ATOM 997 ND2 ASN A 150 13.772 9.570 1.246 1.00 1.00 N ATOM 0 H ASN A 150 12.220 7.363 4.272 1.00 0.26 H new ATOM 0 HA ASN A 150 11.038 8.274 1.819 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.462 6.508 2.322 1.00 0.28 H new ATOM 0 HB3 ASN A 150 13.017 7.184 0.768 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.286 10.435 1.411 1.00 1.00 H new ATOM 0 HD22 ASN A 150 13.265 9.437 0.371 1.00 1.00 H new ATOM 1004 N SER A 151 10.500 5.354 2.845 1.00 0.17 N ATOM 1005 CA SER A 151 9.817 4.134 2.543 1.00 0.20 C ATOM 1006 C SER A 151 8.818 3.780 3.640 1.00 0.20 C ATOM 1007 O SER A 151 9.038 4.073 4.820 1.00 0.27 O ATOM 1008 CB SER A 151 10.823 2.993 2.351 1.00 0.27 C ATOM 1009 OG SER A 151 11.650 2.831 3.497 1.00 0.94 O ATOM 0 H SER A 151 10.622 5.550 3.839 1.00 0.17 H new ATOM 0 HA SER A 151 9.265 4.276 1.614 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.288 2.064 2.152 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.444 3.196 1.478 1.00 0.27 H new ATOM 0 HG SER A 151 12.279 2.095 3.345 1.00 0.94 H new ATOM 1015 N ILE A 152 7.718 3.181 3.231 1.00 0.18 N ATOM 1016 CA ILE A 152 6.740 2.617 4.134 1.00 0.17 C ATOM 1017 C ILE A 152 6.809 1.099 4.020 1.00 0.17 C ATOM 1018 O ILE A 152 7.427 0.568 3.102 1.00 0.19 O ATOM 1019 CB ILE A 152 5.330 3.131 3.765 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.061 4.453 4.474 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.231 2.130 4.085 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.706 4.996 4.168 1.00 0.20 C ATOM 0 H ILE A 152 7.476 3.072 2.246 1.00 0.18 H new ATOM 0 HA ILE A 152 6.949 2.916 5.161 1.00 0.17 H new ATOM 0 HB ILE A 152 5.315 3.277 2.685 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.158 4.311 5.550 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.817 5.181 4.179 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.265 2.548 3.804 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.404 1.209 3.528 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.235 1.914 5.153 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.564 5.938 4.697 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.616 5.165 3.095 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.947 4.282 4.488 1.00 0.20 H new ATOM 1034 N GLU A 153 6.206 0.398 4.938 1.00 0.16 N ATOM 1035 CA GLU A 153 5.994 -1.012 4.744 1.00 0.14 C ATOM 1036 C GLU A 153 4.514 -1.205 4.560 1.00 0.23 C ATOM 1037 O GLU A 153 3.752 -0.632 5.315 1.00 0.56 O ATOM 1038 CB GLU A 153 6.409 -1.839 5.939 1.00 0.18 C ATOM 1039 CG GLU A 153 6.352 -3.315 5.620 1.00 0.27 C ATOM 1040 CD GLU A 153 7.718 -3.920 5.404 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.801 -5.026 4.834 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.715 -3.279 5.774 1.00 0.72 O ATOM 0 H GLU A 153 5.855 0.772 5.820 1.00 0.16 H new ATOM 0 HA GLU A 153 6.591 -1.335 3.891 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.420 -1.567 6.241 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.755 -1.620 6.783 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.852 -3.839 6.435 1.00 0.27 H new ATOM 0 HG3 GLU A 153 5.747 -3.466 4.726 1.00 0.27 H new ATOM 1049 N MET A 154 4.091 -1.972 3.588 1.00 0.13 N ATOM 1050 CA MET A 154 2.665 -2.188 3.409 1.00 0.13 C ATOM 1051 C MET A 154 2.319 -3.655 3.237 1.00 0.15 C ATOM 1052 O MET A 154 2.820 -4.325 2.341 1.00 0.18 O ATOM 1053 CB MET A 154 2.170 -1.351 2.214 1.00 0.19 C ATOM 1054 CG MET A 154 0.798 -1.738 1.674 1.00 0.94 C ATOM 1055 SD MET A 154 0.882 -2.856 0.259 1.00 0.73 S ATOM 1056 CE MET A 154 -0.858 -3.033 -0.126 1.00 1.32 C ATOM 0 H MET A 154 4.692 -2.451 2.918 1.00 0.13 H new ATOM 0 HA MET A 154 2.154 -1.862 4.315 1.00 0.13 H new ATOM 0 HB2 MET A 154 2.143 -0.303 2.512 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.897 -1.435 1.406 1.00 0.19 H new ATOM 0 HG2 MET A 154 0.222 -2.211 2.469 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.260 -0.835 1.384 1.00 0.94 H new ATOM 0 HE1 MET A 154 -1.017 -3.963 -0.673 1.00 1.32 H new ATOM 0 HE2 MET A 154 -1.435 -3.052 0.799 1.00 1.32 H new ATOM 0 HE3 MET A 154 -1.182 -2.192 -0.739 1.00 1.32 H new ATOM 1066 N ILE A 155 1.455 -4.145 4.120 1.00 0.16 N ATOM 1067 CA ILE A 155 0.923 -5.480 3.998 1.00 0.19 C ATOM 1068 C ILE A 155 0.033 -5.571 2.766 1.00 0.27 C ATOM 1069 O ILE A 155 -0.904 -4.788 2.602 1.00 0.33 O ATOM 1070 CB ILE A 155 0.101 -5.913 5.230 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.594 -5.195 6.499 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.200 -7.430 5.388 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.457 -6.020 7.408 1.00 0.24 C ATOM 0 H ILE A 155 1.112 -3.627 4.929 1.00 0.16 H new ATOM 0 HA ILE A 155 1.779 -6.149 3.914 1.00 0.19 H new ATOM 0 HB ILE A 155 -0.942 -5.634 5.083 1.00 0.23 H new ATOM 0 HG12 ILE A 155 1.153 -4.308 6.201 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.273 -4.851 7.062 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.379 -7.744 6.257 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.194 -7.915 4.495 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.243 -7.714 5.525 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.751 -5.423 8.271 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.900 -6.894 7.744 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.348 -6.343 6.870 1.00 0.24 H new ATOM 1297 N VAL A 169 0.158 -11.088 3.523 1.00 0.38 N ATOM 1298 CA VAL A 169 1.516 -10.938 3.057 1.00 0.32 C ATOM 1299 C VAL A 169 1.873 -9.499 3.167 1.00 0.26 C ATOM 1300 O VAL A 169 1.010 -8.666 3.031 1.00 0.29 O ATOM 1301 CB VAL A 169 1.647 -11.283 1.583 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.036 -10.904 1.108 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.328 -12.743 1.345 1.00 0.48 C ATOM 0 HA VAL A 169 2.151 -11.596 3.650 1.00 0.32 H new ATOM 0 HB VAL A 169 0.924 -10.713 1.000 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.138 -11.148 0.051 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.190 -9.834 1.250 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.780 -11.456 1.682 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.428 -12.969 0.283 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.019 -13.364 1.915 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.307 -12.949 1.665 1.00 0.48 H new ATOM 1313 N ARG A 170 3.124 -9.195 3.355 1.00 0.23 N ATOM 1314 CA ARG A 170 3.514 -7.822 3.400 1.00 0.20 C ATOM 1315 C ARG A 170 4.602 -7.485 2.422 1.00 0.19 C ATOM 1316 O ARG A 170 5.471 -8.296 2.098 1.00 0.25 O ATOM 1317 CB ARG A 170 3.861 -7.419 4.805 1.00 0.26 C ATOM 1318 CG ARG A 170 4.717 -8.431 5.509 1.00 0.23 C ATOM 1319 CD ARG A 170 6.127 -8.479 4.965 1.00 0.39 C ATOM 1320 NE ARG A 170 7.035 -7.502 5.553 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.084 -7.832 6.306 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.236 -9.079 6.737 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.969 -6.906 6.639 1.00 1.61 N ATOM 0 H ARG A 170 3.879 -9.870 3.478 1.00 0.23 H new ATOM 0 HA ARG A 170 2.654 -7.232 3.082 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.382 -6.462 4.785 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.942 -7.270 5.372 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.750 -8.196 6.573 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.261 -9.416 5.414 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.532 -9.478 5.129 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.093 -8.322 3.887 1.00 0.39 H new ATOM 0 HE ARG A 170 6.858 -6.513 5.379 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.548 -9.791 6.492 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.041 -9.325 7.313 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.846 -5.945 6.320 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.774 -7.153 7.215 1.00 1.61 H new ATOM 1337 N ALA A 171 4.491 -6.289 1.924 1.00 0.17 N ATOM 1338 CA ALA A 171 5.437 -5.753 0.994 1.00 0.16 C ATOM 1339 C ALA A 171 6.139 -4.552 1.591 1.00 0.16 C ATOM 1340 O ALA A 171 5.689 -3.989 2.585 1.00 0.20 O ATOM 1341 CB ALA A 171 4.736 -5.369 -0.293 1.00 0.16 C ATOM 0 H ALA A 171 3.730 -5.651 2.156 1.00 0.17 H new ATOM 0 HA ALA A 171 6.185 -6.515 0.773 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.463 -4.962 -0.996 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.265 -6.251 -0.728 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.975 -4.618 -0.083 1.00 0.16 H new ATOM 1347 N ARG A 172 7.226 -4.155 0.974 1.00 0.16 N ATOM 1348 CA ARG A 172 7.966 -3.008 1.430 1.00 0.18 C ATOM 1349 C ARG A 172 7.909 -1.963 0.363 1.00 0.18 C ATOM 1350 O ARG A 172 8.341 -2.172 -0.769 1.00 0.22 O ATOM 1351 CB ARG A 172 9.402 -3.352 1.790 1.00 0.24 C ATOM 1352 CG ARG A 172 10.217 -2.160 2.256 1.00 0.79 C ATOM 1353 CD ARG A 172 9.672 -1.626 3.565 1.00 1.08 C ATOM 1354 NE ARG A 172 10.396 -0.458 4.049 1.00 1.97 N ATOM 1355 CZ ARG A 172 10.417 -0.092 5.327 1.00 2.59 C ATOM 1356 NH1 ARG A 172 9.831 -0.847 6.252 1.00 2.48 N ATOM 1357 NH2 ARG A 172 11.035 1.020 5.684 1.00 3.69 N ATOM 0 H ARG A 172 7.617 -4.613 0.151 1.00 0.16 H new ATOM 0 HA ARG A 172 7.512 -2.633 2.348 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.399 -4.108 2.575 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.888 -3.796 0.922 1.00 0.24 H new ATOM 0 HG2 ARG A 172 11.260 -2.451 2.381 1.00 0.79 H new ATOM 0 HG3 ARG A 172 10.193 -1.377 1.498 1.00 0.79 H new ATOM 0 HD2 ARG A 172 8.621 -1.367 3.436 1.00 1.08 H new ATOM 0 HD3 ARG A 172 9.717 -2.412 4.319 1.00 1.08 H new ATOM 0 HE ARG A 172 10.912 0.107 3.374 1.00 1.97 H new ATOM 0 HH11 ARG A 172 9.362 -1.712 5.982 1.00 2.48 H new ATOM 0 HH12 ARG A 172 9.850 -0.561 7.231 1.00 2.48 H new ATOM 0 HH21 ARG A 172 11.495 1.596 4.979 1.00 3.69 H new ATOM 0 HH22 ARG A 172 11.052 1.302 6.664 1.00 3.69 H new ATOM 1371 N LEU A 173 7.366 -0.851 0.739 1.00 0.20 N ATOM 1372 CA LEU A 173 6.925 0.132 -0.193 1.00 0.24 C ATOM 1373 C LEU A 173 7.756 1.403 -0.059 1.00 0.25 C ATOM 1374 O LEU A 173 7.770 2.043 0.971 1.00 0.48 O ATOM 1375 CB LEU A 173 5.451 0.360 0.092 1.00 0.37 C ATOM 1376 CG LEU A 173 5.001 1.786 0.013 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.778 2.202 -1.404 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.784 2.001 0.882 1.00 0.54 C ATOM 0 H LEU A 173 7.215 -0.598 1.715 1.00 0.20 H new ATOM 0 HA LEU A 173 7.054 -0.194 -1.225 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.865 -0.229 -0.614 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.227 -0.021 1.088 1.00 0.37 H new ATOM 0 HG LEU A 173 5.792 2.428 0.401 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.452 3.242 -1.431 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.707 2.099 -1.964 1.00 0.61 H new ATOM 0 HD13 LEU A 173 4.012 1.570 -1.853 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.468 3.042 0.815 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.975 1.354 0.542 1.00 0.54 H new ATOM 0 HD23 LEU A 173 4.029 1.762 1.917 1.00 0.54 H new ATOM 1390 N THR A 174 8.444 1.765 -1.108 1.00 0.17 N ATOM 1391 CA THR A 174 9.415 2.832 -1.034 1.00 0.15 C ATOM 1392 C THR A 174 9.035 4.019 -1.879 1.00 0.13 C ATOM 1393 O THR A 174 8.331 3.887 -2.872 1.00 0.12 O ATOM 1394 CB THR A 174 10.792 2.321 -1.446 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.222 1.285 -0.555 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.774 3.461 -1.449 1.00 0.20 C ATOM 0 H THR A 174 8.352 1.337 -2.029 1.00 0.17 H new ATOM 0 HA THR A 174 9.441 3.167 0.003 1.00 0.15 H new ATOM 0 HB THR A 174 10.735 1.904 -2.451 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.106 0.963 -0.830 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.757 3.094 -1.744 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.445 4.223 -2.155 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.833 3.893 -0.450 1.00 0.20 H new ATOM 1404 N PHE A 175 9.510 5.180 -1.449 1.00 0.16 N ATOM 1405 CA PHE A 175 9.254 6.419 -2.122 1.00 0.17 C ATOM 1406 C PHE A 175 10.526 7.038 -2.701 1.00 0.19 C ATOM 1407 O PHE A 175 11.360 7.555 -1.960 1.00 0.32 O ATOM 1408 CB PHE A 175 8.663 7.391 -1.131 1.00 0.30 C ATOM 1409 CG PHE A 175 7.700 6.761 -0.195 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.503 6.261 -0.657 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.981 6.692 1.149 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.602 5.704 0.213 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.089 6.140 2.023 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.931 5.542 1.524 1.00 0.15 C ATOM 0 H PHE A 175 10.088 5.275 -0.614 1.00 0.16 H new ATOM 0 HA PHE A 175 8.571 6.215 -2.947 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.469 7.850 -0.558 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.161 8.192 -1.673 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.273 6.308 -1.711 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.919 7.079 1.518 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.630 5.393 -0.142 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.277 6.166 3.086 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.300 4.954 2.174 1.00 0.15 H new ATOM 1424 N ASP A 176 10.646 7.025 -4.018 1.00 0.16 N ATOM 1425 CA ASP A 176 11.829 7.568 -4.694 1.00 0.20 C ATOM 1426 C ASP A 176 11.570 8.978 -5.211 1.00 0.19 C ATOM 1427 O ASP A 176 11.000 9.165 -6.283 1.00 0.20 O ATOM 1428 CB ASP A 176 12.247 6.661 -5.858 1.00 0.29 C ATOM 1429 CG ASP A 176 13.395 7.226 -6.668 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.183 7.575 -7.846 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.512 7.340 -6.124 1.00 0.68 O ATOM 0 H ASP A 176 9.940 6.645 -4.649 1.00 0.16 H new ATOM 0 HA ASP A 176 12.636 7.610 -3.963 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.533 5.685 -5.466 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.391 6.503 -6.514 1.00 0.29 H new ATOM 1436 N GLY A 177 11.974 9.969 -4.440 1.00 0.21 N ATOM 1437 CA GLY A 177 11.846 11.342 -4.889 1.00 0.23 C ATOM 1438 C GLY A 177 10.477 11.925 -4.635 1.00 0.23 C ATOM 1439 O GLY A 177 10.038 12.036 -3.491 1.00 0.27 O ATOM 0 H GLY A 177 12.387 9.853 -3.515 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.594 11.954 -4.384 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.062 11.390 -5.956 1.00 0.23 H new ATOM 1443 N ASP A 178 9.801 12.279 -5.712 1.00 0.22 N ATOM 1444 CA ASP A 178 8.481 12.889 -5.635 1.00 0.26 C ATOM 1445 C ASP A 178 7.519 11.880 -6.164 1.00 0.23 C ATOM 1446 O ASP A 178 6.356 12.171 -6.415 1.00 0.25 O ATOM 1447 CB ASP A 178 8.400 14.136 -6.509 1.00 0.34 C ATOM 1448 CG ASP A 178 7.563 15.245 -5.906 1.00 1.10 C ATOM 1449 OD1 ASP A 178 8.111 16.075 -5.149 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.338 15.269 -6.159 1.00 1.34 O ATOM 0 H ASP A 178 10.147 12.154 -6.663 1.00 0.22 H new ATOM 0 HA ASP A 178 8.263 13.180 -4.607 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.408 14.510 -6.689 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.983 13.864 -7.479 1.00 0.34 H new ATOM 1455 N HIS A 179 8.037 10.675 -6.332 1.00 0.19 N ATOM 1456 CA HIS A 179 7.266 9.577 -6.839 1.00 0.17 C ATOM 1457 C HIS A 179 7.550 8.297 -6.086 1.00 0.13 C ATOM 1458 O HIS A 179 8.555 8.171 -5.398 1.00 0.13 O ATOM 1459 CB HIS A 179 7.550 9.399 -8.335 1.00 0.22 C ATOM 1460 CG HIS A 179 8.950 8.980 -8.689 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.869 9.839 -9.246 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.576 7.783 -8.592 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.994 9.192 -9.474 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.849 7.940 -9.084 1.00 0.45 N ATOM 0 H HIS A 179 9.006 10.441 -6.117 1.00 0.19 H new ATOM 0 HA HIS A 179 6.210 9.806 -6.695 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.857 8.657 -8.731 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.333 10.340 -8.841 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.152 6.871 -8.199 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.887 9.616 -9.908 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.561 7.212 -9.139 1.00 0.45 H new ATOM 1473 N LEU A 180 6.632 7.357 -6.212 1.00 0.13 N ATOM 1474 CA LEU A 180 6.781 6.064 -5.572 1.00 0.12 C ATOM 1475 C LEU A 180 7.907 5.286 -6.192 1.00 0.14 C ATOM 1476 O LEU A 180 8.063 5.236 -7.411 1.00 0.22 O ATOM 1477 CB LEU A 180 5.494 5.262 -5.684 1.00 0.17 C ATOM 1478 CG LEU A 180 5.313 4.238 -4.583 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.585 4.890 -3.254 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.919 3.666 -4.616 1.00 0.20 C ATOM 0 H LEU A 180 5.774 7.465 -6.753 1.00 0.13 H new ATOM 0 HA LEU A 180 7.007 6.238 -4.520 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.647 5.948 -5.672 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.477 4.752 -6.647 1.00 0.17 H new ATOM 0 HG LEU A 180 6.015 3.418 -4.734 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.456 4.158 -2.457 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.607 5.269 -3.237 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.889 5.715 -3.104 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.808 2.932 -3.818 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.193 4.467 -4.476 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.746 3.184 -5.578 1.00 0.20 H new ATOM 1492 N ALA A 181 8.693 4.683 -5.329 1.00 0.12 N ATOM 1493 CA ALA A 181 9.842 3.952 -5.744 1.00 0.13 C ATOM 1494 C ALA A 181 9.481 2.536 -6.148 1.00 0.14 C ATOM 1495 O ALA A 181 9.789 2.093 -7.251 1.00 0.15 O ATOM 1496 CB ALA A 181 10.829 3.937 -4.614 1.00 0.13 C ATOM 0 H ALA A 181 8.543 4.693 -4.320 1.00 0.12 H new ATOM 0 HA ALA A 181 10.277 4.436 -6.618 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.717 3.381 -4.914 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.109 4.960 -4.362 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.379 3.460 -3.744 1.00 0.13 H new ATOM 1502 N THR A 182 8.812 1.841 -5.242 1.00 0.15 N ATOM 1503 CA THR A 182 8.476 0.447 -5.440 1.00 0.18 C ATOM 1504 C THR A 182 7.693 -0.080 -4.263 1.00 0.17 C ATOM 1505 O THR A 182 7.491 0.615 -3.270 1.00 0.16 O ATOM 1506 CB THR A 182 9.736 -0.419 -5.579 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.412 -1.703 -6.134 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.373 -0.593 -4.214 1.00 0.24 C ATOM 0 H THR A 182 8.490 2.228 -4.355 1.00 0.15 H new ATOM 0 HA THR A 182 7.885 0.392 -6.354 1.00 0.18 H new ATOM 0 HB THR A 182 10.434 0.077 -6.253 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.228 -2.239 -6.216 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.269 -1.207 -4.306 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.643 0.383 -3.811 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.666 -1.080 -3.542 1.00 0.24 H new ATOM 1516 N ILE A 183 7.286 -1.319 -4.399 1.00 0.20 N ATOM 1517 CA ILE A 183 6.587 -2.058 -3.384 1.00 0.18 C ATOM 1518 C ILE A 183 6.923 -3.520 -3.592 1.00 0.20 C ATOM 1519 O ILE A 183 6.750 -4.039 -4.692 1.00 0.28 O ATOM 1520 CB ILE A 183 5.078 -1.874 -3.492 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.723 -0.470 -3.066 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.360 -2.913 -2.655 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.499 0.478 -4.210 1.00 0.20 C ATOM 0 H ILE A 183 7.440 -1.857 -5.252 1.00 0.20 H new ATOM 0 HA ILE A 183 6.890 -1.702 -2.399 1.00 0.18 H new ATOM 0 HB ILE A 183 4.758 -2.015 -4.524 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.822 -0.504 -2.454 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.522 -0.080 -2.435 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.283 -2.769 -2.742 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.623 -3.910 -3.009 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.657 -2.808 -1.611 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.248 1.465 -3.821 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.406 0.544 -4.811 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.680 0.113 -4.830 1.00 0.20 H new ATOM 1535 N VAL A 184 7.428 -4.176 -2.576 1.00 0.21 N ATOM 1536 CA VAL A 184 7.939 -5.521 -2.748 1.00 0.24 C ATOM 1537 C VAL A 184 7.389 -6.478 -1.728 1.00 0.23 C ATOM 1538 O VAL A 184 7.656 -6.310 -0.545 1.00 0.22 O ATOM 1539 CB VAL A 184 9.455 -5.528 -2.606 1.00 0.29 C ATOM 1540 CG1 VAL A 184 9.985 -6.946 -2.636 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.084 -4.678 -3.689 1.00 0.34 C ATOM 0 H VAL A 184 7.498 -3.808 -1.627 1.00 0.21 H new ATOM 0 HA VAL A 184 7.630 -5.841 -3.743 1.00 0.24 H new ATOM 0 HB VAL A 184 9.723 -5.097 -1.641 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.070 -6.931 -2.533 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.550 -7.514 -1.814 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.717 -7.415 -3.583 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.168 -4.690 -3.578 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.815 -5.077 -4.667 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.722 -3.653 -3.603 1.00 0.34 H new ATOM 1551 N ASN A 185 6.667 -7.499 -2.180 1.00 0.29 N ATOM 1552 CA ASN A 185 6.238 -8.556 -1.278 1.00 0.32 C ATOM 1553 C ASN A 185 7.463 -9.188 -0.687 1.00 0.33 C ATOM 1554 O ASN A 185 8.134 -10.003 -1.305 1.00 0.40 O ATOM 1555 CB ASN A 185 5.389 -9.611 -1.988 1.00 0.44 C ATOM 1556 CG ASN A 185 4.037 -9.091 -2.428 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.476 -8.181 -1.820 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.503 -9.677 -3.485 1.00 1.57 N ATOM 0 H ASN A 185 6.372 -7.614 -3.150 1.00 0.29 H new ATOM 0 HA ASN A 185 5.610 -8.122 -0.499 1.00 0.32 H new ATOM 0 HB2 ASN A 185 5.931 -9.978 -2.859 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.245 -10.461 -1.321 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.590 -9.378 -3.827 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.004 -10.428 -3.959 1.00 1.57 H new ATOM 1565 N MET A 186 7.713 -8.772 0.529 1.00 0.31 N ATOM 1566 CA MET A 186 8.935 -9.008 1.261 1.00 0.36 C ATOM 1567 C MET A 186 9.232 -10.459 1.431 1.00 0.43 C ATOM 1568 O MET A 186 10.357 -10.854 1.739 1.00 0.53 O ATOM 1569 CB MET A 186 8.785 -8.338 2.607 1.00 0.36 C ATOM 1570 CG MET A 186 8.869 -6.829 2.551 1.00 0.34 C ATOM 1571 SD MET A 186 10.561 -6.203 2.715 1.00 0.94 S ATOM 1572 CE MET A 186 11.327 -6.746 1.188 1.00 1.42 C ATOM 0 H MET A 186 7.034 -8.231 1.065 1.00 0.31 H new ATOM 0 HA MET A 186 9.774 -8.596 0.701 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.826 -8.623 3.039 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.560 -8.711 3.276 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.450 -6.483 1.606 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.254 -6.407 3.346 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.166 -6.093 0.949 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.685 -7.769 1.304 1.00 1.42 H new ATOM 0 HE3 MET A 186 10.596 -6.707 0.380 1.00 1.42 H new ATOM 1582 N GLU A 187 8.228 -11.245 1.220 1.00 0.43 N ATOM 1583 CA GLU A 187 8.345 -12.642 1.365 1.00 0.51 C ATOM 1584 C GLU A 187 9.130 -13.214 0.218 1.00 0.59 C ATOM 1585 O GLU A 187 10.025 -14.037 0.392 1.00 0.68 O ATOM 1586 CB GLU A 187 6.960 -13.212 1.420 1.00 0.50 C ATOM 1587 CG GLU A 187 6.019 -12.313 2.190 1.00 0.42 C ATOM 1588 CD GLU A 187 4.990 -13.065 3.010 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.722 -12.643 4.156 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.451 -14.086 2.522 1.00 0.67 O ATOM 0 H GLU A 187 7.301 -10.925 0.941 1.00 0.43 H new ATOM 0 HA GLU A 187 8.880 -12.896 2.280 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.583 -13.352 0.407 1.00 0.50 H new ATOM 0 HB3 GLU A 187 6.989 -14.196 1.888 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.603 -11.675 2.853 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.503 -11.657 1.489 1.00 0.42 H new ATOM 1597 N ASN A 188 8.793 -12.743 -0.949 1.00 0.58 N ATOM 1598 CA ASN A 188 9.506 -13.138 -2.144 1.00 0.67 C ATOM 1599 C ASN A 188 10.641 -12.184 -2.435 1.00 0.64 C ATOM 1600 O ASN A 188 11.702 -12.600 -2.890 1.00 0.74 O ATOM 1601 CB ASN A 188 8.569 -13.233 -3.347 1.00 0.73 C ATOM 1602 CG ASN A 188 9.285 -13.696 -4.600 1.00 1.45 C ATOM 1603 OD1 ASN A 188 9.784 -12.886 -5.387 1.00 2.36 O ATOM 1604 ND2 ASN A 188 9.348 -15.004 -4.789 1.00 1.95 N ATOM 0 H ASN A 188 8.030 -12.085 -1.105 1.00 0.58 H new ATOM 0 HA ASN A 188 9.924 -14.128 -1.963 1.00 0.67 H new ATOM 0 HB2 ASN A 188 7.758 -13.924 -3.119 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.116 -12.259 -3.529 1.00 0.73 H new ATOM 0 HD21 ASN A 188 9.823 -15.378 -5.611 1.00 1.95 H new ATOM 0 HD22 ASN A 188 8.922 -15.638 -4.113 1.00 1.95 H new ATOM 1611 N ASN A 189 10.406 -10.914 -2.099 1.00 0.53 N ATOM 1612 CA ASN A 189 11.386 -9.840 -2.189 1.00 0.52 C ATOM 1613 C ASN A 189 12.333 -9.919 -3.392 1.00 0.61 C ATOM 1614 O ASN A 189 13.476 -9.467 -3.317 1.00 0.71 O ATOM 1615 CB ASN A 189 12.145 -9.778 -0.871 1.00 0.59 C ATOM 1616 CG ASN A 189 13.093 -10.947 -0.628 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.252 -10.928 -1.043 1.00 1.80 O ATOM 1618 ND2 ASN A 189 12.613 -11.961 0.080 1.00 1.74 N ATOM 0 H ASN A 189 9.502 -10.600 -1.747 1.00 0.53 H new ATOM 0 HA ASN A 189 10.837 -8.915 -2.366 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.717 -8.851 -0.840 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.425 -9.736 -0.054 1.00 0.59 H new ATOM 0 HD21 ASN A 189 13.210 -12.759 0.297 1.00 1.74 H new ATOM 0 HD22 ASN A 189 11.647 -11.942 0.407 1.00 1.74 H new