USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot -124:sc= -0.0838 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.87 USER MOD Set 2.1: A 121 LYS NZ :NH3+ 166:sc= 0.316 (180deg=-0.0115) USER MOD Set 2.2: A 150 ASN : amide:sc= 0.332 K(o=0.65,f=-6.7!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 120 SER OG : rot 96:sc= 1.26 USER MOD Single : A 122 ASN : amide:sc=-0.00951 X(o=-0.0095,f=-0.014) USER MOD Single : A 124 MET CE :methyl 140:sc= -0.405 (180deg=-2!) USER MOD Single : A 126 LYS NZ :NH3+ 147:sc= -2.07! (180deg=-3.98!) USER MOD Single : A 131 THR OG1 : rot -41:sc= 0.142 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 76:sc= -5.34! USER MOD Single : A 135 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.6!) 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 -143:sc= -10.6! (180deg=-16.3!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 148 GLN : amide:sc= -0.835 K(o=-0.84,f=0) USER MOD Single : A 154 MET CE :methyl -178:sc= -0.405 (180deg=-0.43) USER MOD Single : A 179 HIS : no HE2:sc= -0.665 K(o=-0.35,f=-4.4!) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 185 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.16) USER MOD Single : A 186 MET CE :methyl -158:sc= -0.236 (180deg=-0.883) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 189 ASN : amide:sc= 0.0499 X(o=0.05,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 2.892 8.070 -8.036 1.00 0.27 N ATOM 468 CA THR A 118 3.977 9.033 -7.988 1.00 0.26 C ATOM 469 C THR A 118 3.708 10.022 -6.871 1.00 0.25 C ATOM 470 O THR A 118 2.870 10.910 -7.000 1.00 0.32 O ATOM 471 CB THR A 118 4.123 9.764 -9.329 1.00 0.30 C ATOM 472 OG1 THR A 118 4.666 8.884 -10.322 1.00 0.32 O ATOM 473 CG2 THR A 118 4.962 11.036 -9.227 1.00 0.32 C ATOM 0 HA THR A 118 4.913 8.508 -7.796 1.00 0.26 H new ATOM 0 HB THR A 118 3.121 10.073 -9.627 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.752 9.364 -11.172 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.029 11.508 -10.207 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.494 11.725 -8.524 1.00 0.32 H new ATOM 0 HG23 THR A 118 5.963 10.784 -8.877 1.00 0.32 H new ATOM 481 N ILE A 119 4.384 9.826 -5.753 1.00 0.19 N ATOM 482 CA ILE A 119 4.105 10.588 -4.566 1.00 0.18 C ATOM 483 C ILE A 119 5.359 11.164 -3.940 1.00 0.19 C ATOM 484 O ILE A 119 6.474 10.763 -4.225 1.00 0.20 O ATOM 485 CB ILE A 119 3.509 9.700 -3.507 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.598 8.866 -2.924 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.447 8.825 -4.040 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.233 8.395 -1.596 1.00 0.17 C ATOM 0 H ILE A 119 5.132 9.140 -5.650 1.00 0.19 H new ATOM 0 HA ILE A 119 3.431 11.385 -4.880 1.00 0.18 H new ATOM 0 HB ILE A 119 3.050 10.334 -2.748 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.798 8.015 -3.575 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.518 9.448 -2.868 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.050 8.204 -3.237 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.646 9.437 -4.456 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.859 8.187 -4.821 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.042 7.788 -1.190 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.057 9.249 -0.943 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.326 7.794 -1.660 1.00 0.17 H new ATOM 500 N SER A 120 5.122 11.972 -2.957 1.00 0.21 N ATOM 501 CA SER A 120 6.166 12.746 -2.313 1.00 0.28 C ATOM 502 C SER A 120 6.382 12.248 -0.889 1.00 0.28 C ATOM 503 O SER A 120 5.604 11.430 -0.394 1.00 0.25 O ATOM 504 CB SER A 120 5.785 14.227 -2.297 1.00 0.36 C ATOM 505 OG SER A 120 5.332 14.652 -3.571 1.00 1.29 O ATOM 0 H SER A 120 4.193 12.124 -2.565 1.00 0.21 H new ATOM 0 HA SER A 120 7.093 12.625 -2.874 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.005 14.397 -1.555 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.646 14.824 -1.996 1.00 0.36 H new ATOM 0 HG SER A 120 4.353 14.619 -3.598 1.00 1.29 H new ATOM 511 N LYS A 121 7.427 12.745 -0.241 1.00 0.35 N ATOM 512 CA LYS A 121 7.733 12.376 1.151 1.00 0.40 C ATOM 513 C LYS A 121 6.503 12.495 2.057 1.00 0.36 C ATOM 514 O LYS A 121 6.114 11.543 2.725 1.00 0.38 O ATOM 515 CB LYS A 121 8.859 13.258 1.703 1.00 0.50 C ATOM 516 CG LYS A 121 10.208 13.031 1.039 1.00 1.34 C ATOM 517 CD LYS A 121 11.223 14.065 1.499 1.00 1.71 C ATOM 518 CE LYS A 121 12.597 13.817 0.895 1.00 2.46 C ATOM 519 NZ LYS A 121 13.269 12.630 1.487 1.00 3.26 N ATOM 0 H LYS A 121 8.085 13.408 -0.652 1.00 0.35 H new ATOM 0 HA LYS A 121 8.052 11.334 1.144 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.578 14.304 1.583 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.958 13.075 2.773 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.570 12.031 1.276 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.097 13.082 -0.044 1.00 1.34 H new ATOM 0 HD2 LYS A 121 10.878 15.061 1.221 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.295 14.045 2.586 1.00 1.71 H new ATOM 0 HE2 LYS A 121 12.498 13.676 -0.181 1.00 2.46 H new ATOM 0 HE3 LYS A 121 13.222 14.698 1.045 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 14.080 12.359 0.895 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 13.601 12.861 2.445 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 12.596 11.838 1.535 1.00 3.26 H new ATOM 533 N ASN A 122 5.885 13.663 2.060 1.00 0.37 N ATOM 534 CA ASN A 122 4.720 13.918 2.892 1.00 0.37 C ATOM 535 C ASN A 122 3.481 13.396 2.215 1.00 0.30 C ATOM 536 O ASN A 122 2.441 13.226 2.851 1.00 0.29 O ATOM 537 CB ASN A 122 4.585 15.412 3.185 1.00 0.48 C ATOM 538 CG ASN A 122 3.515 15.720 4.216 1.00 1.22 C ATOM 539 OD1 ASN A 122 2.361 15.968 3.875 1.00 2.17 O ATOM 540 ND2 ASN A 122 3.893 15.709 5.485 1.00 1.64 N ATOM 0 H ASN A 122 6.174 14.458 1.490 1.00 0.37 H new ATOM 0 HA ASN A 122 4.846 13.397 3.841 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.542 15.795 3.538 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.352 15.939 2.259 1.00 0.48 H new ATOM 0 HD21 ASN A 122 3.216 15.911 6.221 1.00 1.64 H new ATOM 0 HD22 ASN A 122 4.861 15.498 5.727 1.00 1.64 H new ATOM 547 N GLU A 123 3.588 13.121 0.923 1.00 0.27 N ATOM 548 CA GLU A 123 2.467 12.612 0.204 1.00 0.25 C ATOM 549 C GLU A 123 2.088 11.269 0.726 1.00 0.21 C ATOM 550 O GLU A 123 0.957 10.866 0.654 1.00 0.26 O ATOM 551 CB GLU A 123 2.703 12.549 -1.278 1.00 0.27 C ATOM 552 CG GLU A 123 1.851 13.532 -2.029 1.00 0.30 C ATOM 553 CD GLU A 123 1.929 13.351 -3.527 1.00 0.37 C ATOM 554 OE1 GLU A 123 2.952 13.747 -4.122 1.00 0.45 O ATOM 555 OE2 GLU A 123 0.966 12.821 -4.117 1.00 0.50 O ATOM 0 H GLU A 123 4.436 13.246 0.371 1.00 0.27 H new ATOM 0 HA GLU A 123 1.646 13.311 0.361 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.754 12.748 -1.486 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.493 11.541 -1.635 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.815 13.426 -1.709 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.162 14.545 -1.773 1.00 0.30 H new ATOM 562 N MET A 124 3.015 10.588 1.306 1.00 0.19 N ATOM 563 CA MET A 124 2.682 9.301 1.835 1.00 0.20 C ATOM 564 C MET A 124 2.127 9.450 3.219 1.00 0.17 C ATOM 565 O MET A 124 1.280 8.676 3.641 1.00 0.16 O ATOM 566 CB MET A 124 3.858 8.332 1.804 1.00 0.27 C ATOM 567 CG MET A 124 5.069 8.751 2.630 1.00 1.21 C ATOM 568 SD MET A 124 4.870 8.441 4.397 1.00 2.28 S ATOM 569 CE MET A 124 6.459 8.982 5.019 1.00 3.06 C ATOM 0 H MET A 124 3.984 10.884 1.427 1.00 0.19 H new ATOM 0 HA MET A 124 1.918 8.863 1.192 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.516 7.360 2.158 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.173 8.201 0.769 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.948 8.215 2.271 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.257 9.813 2.473 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.319 9.518 5.957 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.098 8.115 5.188 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.929 9.642 4.290 1.00 3.06 H new ATOM 579 N VAL A 125 2.562 10.498 3.884 1.00 0.20 N ATOM 580 CA VAL A 125 2.183 10.754 5.251 1.00 0.22 C ATOM 581 C VAL A 125 0.694 10.965 5.387 1.00 0.21 C ATOM 582 O VAL A 125 0.082 10.690 6.412 1.00 0.23 O ATOM 583 CB VAL A 125 2.922 11.982 5.777 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.107 12.682 6.849 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.288 11.575 6.289 1.00 0.32 C ATOM 0 H VAL A 125 3.190 11.197 3.488 1.00 0.20 H new ATOM 0 HA VAL A 125 2.456 9.878 5.838 1.00 0.22 H new ATOM 0 HB VAL A 125 3.061 12.694 4.963 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.653 13.554 7.210 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.152 12.999 6.431 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.931 11.996 7.678 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.813 12.454 6.664 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.173 10.850 7.095 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.862 11.128 5.478 1.00 0.32 H new ATOM 595 N LYS A 126 0.140 11.526 4.371 1.00 0.20 N ATOM 596 CA LYS A 126 -1.285 11.602 4.250 1.00 0.20 C ATOM 597 C LYS A 126 -1.833 10.275 3.783 1.00 0.16 C ATOM 598 O LYS A 126 -2.822 9.817 4.302 1.00 0.19 O ATOM 599 CB LYS A 126 -1.614 12.672 3.250 1.00 0.24 C ATOM 600 CG LYS A 126 -1.055 12.306 1.901 1.00 0.32 C ATOM 601 CD LYS A 126 -0.282 13.373 1.196 1.00 0.39 C ATOM 602 CE LYS A 126 -1.048 14.671 0.998 1.00 0.59 C ATOM 603 NZ LYS A 126 -1.234 15.454 2.251 1.00 1.51 N ATOM 0 H LYS A 126 0.655 11.947 3.598 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.732 11.839 5.215 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.695 12.798 3.183 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.201 13.626 3.577 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.408 11.437 2.022 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.881 12.001 1.259 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.625 13.583 1.762 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.030 12.996 0.222 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.520 15.287 0.270 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -2.026 14.444 0.573 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.226 16.470 2.030 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -2.144 15.202 2.686 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.462 15.238 2.913 1.00 1.51 H new ATOM 617 N LEU A 127 -1.161 9.656 2.819 1.00 0.15 N ATOM 618 CA LEU A 127 -1.653 8.460 2.188 1.00 0.19 C ATOM 619 C LEU A 127 -1.846 7.337 3.105 1.00 0.20 C ATOM 620 O LEU A 127 -2.807 6.632 2.925 1.00 0.24 O ATOM 621 CB LEU A 127 -0.783 8.031 1.062 1.00 0.25 C ATOM 622 CG LEU A 127 -1.334 8.514 -0.258 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.273 9.231 -1.084 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.972 7.363 -1.000 1.00 0.40 C ATOM 0 H LEU A 127 -0.262 9.977 2.461 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.636 8.738 1.808 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.224 8.423 1.206 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.704 6.944 1.052 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.109 9.256 -0.065 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.709 9.563 -2.026 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.097 10.094 -0.531 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.553 8.549 -1.287 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.368 7.718 -1.952 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.226 6.590 -1.183 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.784 6.949 -0.401 1.00 0.40 H new ATOM 636 N LEU A 128 -0.988 7.124 4.076 1.00 0.18 N ATOM 637 CA LEU A 128 -1.286 6.048 4.956 1.00 0.24 C ATOM 638 C LEU A 128 -2.610 6.350 5.673 1.00 0.26 C ATOM 639 O LEU A 128 -3.486 5.505 5.764 1.00 0.32 O ATOM 640 CB LEU A 128 -0.135 5.654 5.927 1.00 0.28 C ATOM 641 CG LEU A 128 0.679 6.736 6.624 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.906 7.054 5.854 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.105 7.959 6.793 1.00 0.21 C ATOM 0 H LEU A 128 -0.134 7.650 4.261 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.398 5.149 4.350 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.568 5.024 6.704 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.564 5.034 5.366 1.00 0.28 H new ATOM 0 HG LEU A 128 0.956 6.349 7.605 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.470 7.829 6.372 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.520 6.158 5.762 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.631 7.408 4.861 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.502 8.714 7.293 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.414 8.331 5.816 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -0.988 7.745 7.396 1.00 0.21 H new ATOM 655 N GLU A 129 -2.786 7.593 6.069 1.00 0.23 N ATOM 656 CA GLU A 129 -3.991 8.040 6.732 1.00 0.28 C ATOM 657 C GLU A 129 -5.130 7.966 5.756 1.00 0.25 C ATOM 658 O GLU A 129 -6.279 7.682 6.086 1.00 0.31 O ATOM 659 CB GLU A 129 -3.792 9.472 7.140 1.00 0.32 C ATOM 660 CG GLU A 129 -2.526 9.653 7.930 1.00 0.44 C ATOM 661 CD GLU A 129 -2.459 8.755 9.157 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.513 8.526 9.783 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.348 8.329 9.536 1.00 2.23 O ATOM 0 H GLU A 129 -2.090 8.327 5.938 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.207 7.421 7.603 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.760 10.103 6.252 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.643 9.803 7.735 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.670 9.446 7.287 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.445 10.694 8.243 1.00 0.44 H new ATOM 670 N ALA A 130 -4.737 8.198 4.527 1.00 0.21 N ATOM 671 CA ALA A 130 -5.629 8.336 3.423 1.00 0.25 C ATOM 672 C ALA A 130 -5.977 6.970 2.852 1.00 0.28 C ATOM 673 O ALA A 130 -6.844 6.835 1.987 1.00 0.33 O ATOM 674 CB ALA A 130 -4.967 9.210 2.366 1.00 0.26 C ATOM 0 H ALA A 130 -3.755 8.297 4.269 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.556 8.805 3.752 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.639 9.324 1.515 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.748 10.190 2.789 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.040 8.742 2.036 1.00 0.26 H new ATOM 680 N THR A 131 -5.291 5.957 3.359 1.00 0.26 N ATOM 681 CA THR A 131 -5.435 4.609 2.875 1.00 0.29 C ATOM 682 C THR A 131 -5.872 3.717 4.032 1.00 0.29 C ATOM 683 O THR A 131 -6.039 2.503 3.899 1.00 0.33 O ATOM 684 CB THR A 131 -4.121 4.107 2.239 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.336 2.881 1.525 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.075 3.904 3.309 1.00 0.28 C ATOM 0 H THR A 131 -4.619 6.056 4.120 1.00 0.26 H new ATOM 0 HA THR A 131 -6.195 4.579 2.094 1.00 0.29 H new ATOM 0 HB THR A 131 -3.771 4.860 1.532 1.00 0.30 H new ATOM 0 HG1 THR A 131 -4.933 2.301 2.043 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.151 3.550 2.852 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.888 4.849 3.819 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.430 3.167 4.029 1.00 0.28 H new ATOM 694 N GLN A 132 -6.047 4.382 5.170 1.00 0.25 N ATOM 695 CA GLN A 132 -6.453 3.773 6.429 1.00 0.25 C ATOM 696 C GLN A 132 -5.348 2.919 7.035 1.00 0.21 C ATOM 697 O GLN A 132 -5.536 1.740 7.335 1.00 0.23 O ATOM 698 CB GLN A 132 -7.734 2.954 6.281 1.00 0.32 C ATOM 699 CG GLN A 132 -8.898 3.731 5.688 1.00 0.41 C ATOM 700 CD GLN A 132 -10.153 2.893 5.570 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.370 2.218 4.565 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.987 2.927 6.594 1.00 2.15 N ATOM 0 H GLN A 132 -5.906 5.390 5.242 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.655 4.597 7.113 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.529 2.089 5.651 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.025 2.574 7.260 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.104 4.602 6.310 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.618 4.102 4.702 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.770 3.500 7.410 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -11.848 2.380 6.569 1.00 2.15 H new ATOM 711 N TYR A 133 -4.200 3.535 7.212 1.00 0.17 N ATOM 712 CA TYR A 133 -3.045 2.905 7.770 1.00 0.15 C ATOM 713 C TYR A 133 -2.232 3.983 8.449 1.00 0.15 C ATOM 714 O TYR A 133 -2.199 5.114 8.012 1.00 0.18 O ATOM 715 CB TYR A 133 -2.241 2.144 6.705 1.00 0.16 C ATOM 716 CG TYR A 133 -0.740 2.387 6.721 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.033 2.251 7.903 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.024 2.754 5.579 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.320 2.469 7.950 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.320 2.954 5.627 1.00 0.25 C ATOM 721 CZ TYR A 133 1.988 2.841 6.695 1.00 0.19 C ATOM 722 OH TYR A 133 3.334 3.039 6.846 1.00 0.27 O ATOM 0 H TYR A 133 -4.050 4.513 6.962 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.336 2.148 8.499 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.420 1.077 6.833 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.625 2.416 5.722 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.556 1.968 8.804 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.547 2.881 4.642 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.873 2.371 8.873 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.838 3.220 4.717 1.00 0.25 H new ATOM 0 HH TYR A 133 3.785 2.173 6.927 1.00 0.27 H new ATOM 732 N ARG A 134 -1.632 3.662 9.549 1.00 0.15 N ATOM 733 CA ARG A 134 -0.869 4.624 10.287 1.00 0.18 C ATOM 734 C ARG A 134 0.327 3.900 10.855 1.00 0.19 C ATOM 735 O ARG A 134 0.301 2.673 10.900 1.00 0.18 O ATOM 736 CB ARG A 134 -1.751 5.171 11.382 1.00 0.18 C ATOM 737 CG ARG A 134 -3.150 5.501 10.883 1.00 0.22 C ATOM 738 CD ARG A 134 -4.026 4.262 10.899 1.00 0.25 C ATOM 739 NE ARG A 134 -4.502 3.929 12.238 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.831 2.698 12.619 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.796 1.706 11.738 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.203 2.464 13.870 1.00 0.49 N ATOM 0 H ARG A 134 -1.655 2.730 9.963 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.527 5.454 9.669 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.818 4.443 12.190 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.295 6.069 11.799 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.593 6.275 11.510 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.096 5.903 9.871 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.881 4.418 10.242 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.464 3.419 10.497 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.587 4.683 12.920 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.518 1.890 10.774 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.047 0.760 12.025 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.238 3.229 14.543 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.455 1.519 14.159 1.00 0.49 H new ATOM 756 N GLN A 135 1.360 4.618 11.272 1.00 0.22 N ATOM 757 CA GLN A 135 2.579 3.964 11.727 1.00 0.25 C ATOM 758 C GLN A 135 2.305 2.930 12.774 1.00 0.24 C ATOM 759 O GLN A 135 1.293 2.964 13.487 1.00 0.30 O ATOM 760 CB GLN A 135 3.600 4.942 12.277 1.00 0.35 C ATOM 761 CG GLN A 135 3.447 5.195 13.759 1.00 0.88 C ATOM 762 CD GLN A 135 3.941 6.567 14.177 1.00 1.36 C ATOM 763 OE1 GLN A 135 3.886 7.522 13.401 1.00 1.87 O ATOM 764 NE2 GLN A 135 4.428 6.675 15.403 1.00 1.96 N ATOM 0 H GLN A 135 1.380 5.637 11.305 1.00 0.22 H new ATOM 0 HA GLN A 135 2.991 3.486 10.838 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.602 4.559 12.082 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.511 5.888 11.743 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.397 5.093 14.033 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.996 4.433 14.311 1.00 0.88 H new ATOM 0 HE21 GLN A 135 4.456 5.859 16.014 1.00 1.96 H new ATOM 0 HE22 GLN A 135 4.776 7.574 15.736 1.00 1.96 H new ATOM 773 N VAL A 136 3.241 2.033 12.890 1.00 0.23 N ATOM 774 CA VAL A 136 3.019 0.866 13.656 1.00 0.24 C ATOM 775 C VAL A 136 4.295 0.381 14.337 1.00 0.27 C ATOM 776 O VAL A 136 5.402 0.626 13.861 1.00 0.27 O ATOM 777 CB VAL A 136 2.405 -0.243 12.757 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.725 -1.631 13.246 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.910 -0.083 12.627 1.00 0.20 C ATOM 0 H VAL A 136 4.163 2.098 12.459 1.00 0.23 H new ATOM 0 HA VAL A 136 2.313 1.109 14.451 1.00 0.24 H new ATOM 0 HB VAL A 136 2.865 -0.121 11.776 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.271 -2.365 12.580 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.806 -1.772 13.259 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.330 -1.762 14.254 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.513 -0.875 11.992 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.450 -0.144 13.613 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.685 0.886 12.182 1.00 0.20 H new ATOM 789 N SER A 137 4.118 -0.290 15.457 1.00 0.31 N ATOM 790 CA SER A 137 5.202 -0.944 16.158 1.00 0.35 C ATOM 791 C SER A 137 5.876 -1.983 15.292 1.00 0.33 C ATOM 792 O SER A 137 7.097 -2.008 15.135 1.00 0.35 O ATOM 793 CB SER A 137 4.601 -1.646 17.347 1.00 0.39 C ATOM 794 OG SER A 137 4.310 -0.741 18.399 1.00 0.73 O ATOM 0 H SER A 137 3.210 -0.397 15.909 1.00 0.31 H new ATOM 0 HA SER A 137 5.946 -0.200 16.442 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.687 -2.158 17.044 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.291 -2.410 17.705 1.00 0.39 H new ATOM 0 HG SER A 137 3.920 -1.230 19.153 1.00 0.73 H new ATOM 800 N LYS A 138 5.049 -2.812 14.718 1.00 0.30 N ATOM 801 CA LYS A 138 5.489 -3.901 13.900 1.00 0.30 C ATOM 802 C LYS A 138 4.361 -4.311 13.001 1.00 0.27 C ATOM 803 O LYS A 138 3.309 -4.776 13.446 1.00 0.28 O ATOM 804 CB LYS A 138 5.913 -5.047 14.762 1.00 0.35 C ATOM 805 CG LYS A 138 4.841 -5.444 15.731 1.00 0.37 C ATOM 806 CD LYS A 138 5.232 -6.672 16.529 1.00 0.43 C ATOM 807 CE LYS A 138 5.591 -7.824 15.606 1.00 0.44 C ATOM 808 NZ LYS A 138 6.100 -8.999 16.355 1.00 0.51 N ATOM 0 H LYS A 138 4.035 -2.747 14.809 1.00 0.30 H new ATOM 0 HA LYS A 138 6.343 -3.594 13.296 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.167 -5.900 14.133 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.815 -4.775 15.310 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.641 -4.616 16.412 1.00 0.37 H new ATOM 0 HG3 LYS A 138 3.916 -5.642 15.189 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.080 -6.438 17.173 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.409 -6.965 17.180 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.712 -8.114 15.030 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.346 -7.495 14.892 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.333 -9.762 15.688 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.953 -8.730 16.885 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.371 -9.330 17.018 1.00 0.51 H new ATOM 822 N MET A 139 4.554 -4.100 11.744 1.00 0.25 N ATOM 823 CA MET A 139 3.470 -4.209 10.832 1.00 0.25 C ATOM 824 C MET A 139 3.238 -5.646 10.435 1.00 0.26 C ATOM 825 O MET A 139 4.043 -6.292 9.757 1.00 0.30 O ATOM 826 CB MET A 139 3.675 -3.297 9.635 1.00 0.33 C ATOM 827 CG MET A 139 4.115 -3.975 8.378 1.00 0.70 C ATOM 828 SD MET A 139 3.629 -3.069 6.921 1.00 2.16 S ATOM 829 CE MET A 139 3.890 -4.343 5.714 1.00 2.71 C ATOM 0 H MET A 139 5.451 -3.852 11.326 1.00 0.25 H new ATOM 0 HA MET A 139 2.561 -3.873 11.332 1.00 0.25 H new ATOM 0 HB2 MET A 139 2.741 -2.772 9.436 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.415 -2.542 9.898 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.199 -4.089 8.389 1.00 0.70 H new ATOM 0 HG3 MET A 139 3.689 -4.978 8.339 1.00 0.70 H new ATOM 0 HE1 MET A 139 4.282 -3.901 4.798 1.00 2.71 H new ATOM 0 HE2 MET A 139 4.604 -5.070 6.101 1.00 2.71 H new ATOM 0 HE3 MET A 139 2.944 -4.841 5.501 1.00 2.71 H new ATOM 839 N THR A 140 2.185 -6.178 10.975 1.00 0.25 N ATOM 840 CA THR A 140 1.613 -7.365 10.429 1.00 0.26 C ATOM 841 C THR A 140 0.179 -7.455 10.844 1.00 0.27 C ATOM 842 O THR A 140 -0.171 -8.039 11.867 1.00 0.30 O ATOM 843 CB THR A 140 2.421 -8.573 10.916 1.00 0.31 C ATOM 844 OG1 THR A 140 1.810 -9.811 10.522 1.00 0.35 O ATOM 845 CG2 THR A 140 2.607 -8.506 12.431 1.00 0.34 C ATOM 0 H THR A 140 1.705 -5.807 11.795 1.00 0.25 H new ATOM 0 HA THR A 140 1.647 -7.347 9.340 1.00 0.26 H new ATOM 0 HB THR A 140 3.403 -8.537 10.444 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.351 -10.561 10.847 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.182 -9.369 12.765 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.140 -7.592 12.692 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.632 -8.509 12.918 1.00 0.34 H new ATOM 853 N ARG A 141 -0.648 -6.947 9.958 1.00 0.25 N ATOM 854 CA ARG A 141 -2.081 -6.973 10.097 1.00 0.28 C ATOM 855 C ARG A 141 -2.680 -6.966 8.708 1.00 0.30 C ATOM 856 O ARG A 141 -1.959 -6.747 7.742 1.00 0.45 O ATOM 857 CB ARG A 141 -2.566 -5.740 10.868 1.00 0.30 C ATOM 858 CG ARG A 141 -1.709 -5.387 12.062 1.00 0.38 C ATOM 859 CD ARG A 141 -1.926 -6.395 13.147 1.00 1.01 C ATOM 860 NE ARG A 141 -1.473 -5.922 14.452 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.751 -6.653 15.297 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.372 -7.883 14.961 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.395 -6.148 16.473 1.00 1.97 N ATOM 0 H ARG A 141 -0.332 -6.494 9.101 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.385 -7.863 10.648 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.595 -4.888 10.189 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.588 -5.914 11.205 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.658 -5.366 11.775 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.961 -4.389 12.422 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.986 -6.641 13.202 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.398 -7.314 12.895 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.725 -4.974 14.733 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.635 -8.268 14.054 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.182 -8.441 15.611 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.675 -5.201 16.727 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.159 -6.708 17.122 1.00 1.97 H new ATOM 877 N PRO A 142 -3.978 -7.186 8.550 1.00 0.36 N ATOM 878 CA PRO A 142 -4.619 -6.825 7.309 1.00 0.39 C ATOM 879 C PRO A 142 -4.960 -5.334 7.302 1.00 0.32 C ATOM 880 O PRO A 142 -5.817 -4.875 8.061 1.00 0.37 O ATOM 881 CB PRO A 142 -5.880 -7.682 7.300 1.00 0.53 C ATOM 882 CG PRO A 142 -6.196 -7.932 8.740 1.00 0.79 C ATOM 883 CD PRO A 142 -4.899 -7.820 9.508 1.00 0.55 C ATOM 0 HA PRO A 142 -3.994 -6.993 6.432 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.701 -7.168 6.800 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.716 -8.617 6.765 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.923 -7.207 9.106 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.637 -8.920 8.871 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -5.018 -7.217 10.408 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.536 -8.798 9.825 1.00 0.55 H new ATOM 891 N GLY A 143 -4.277 -4.581 6.453 1.00 0.27 N ATOM 892 CA GLY A 143 -4.637 -3.183 6.246 1.00 0.27 C ATOM 893 C GLY A 143 -4.019 -2.219 7.253 1.00 0.26 C ATOM 894 O GLY A 143 -4.407 -1.054 7.310 1.00 0.38 O ATOM 0 H GLY A 143 -3.482 -4.906 5.903 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.332 -2.886 5.243 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.722 -3.089 6.290 1.00 0.27 H new ATOM 898 N GLU A 144 -3.044 -2.685 8.025 1.00 0.17 N ATOM 899 CA GLU A 144 -2.350 -1.828 8.991 1.00 0.14 C ATOM 900 C GLU A 144 -0.878 -1.977 8.725 1.00 0.11 C ATOM 901 O GLU A 144 -0.386 -3.105 8.637 1.00 0.12 O ATOM 902 CB GLU A 144 -2.630 -2.258 10.430 1.00 0.18 C ATOM 903 CG GLU A 144 -4.078 -2.646 10.716 1.00 0.40 C ATOM 904 CD GLU A 144 -4.984 -1.463 10.984 1.00 0.84 C ATOM 905 OE1 GLU A 144 -5.797 -1.125 10.098 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.866 -0.842 12.062 1.00 1.44 O ATOM 0 H GLU A 144 -2.713 -3.650 8.004 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.694 -0.800 8.878 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.988 -3.105 10.672 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.349 -1.444 11.098 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.469 -3.207 9.867 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.103 -3.314 11.577 1.00 0.40 H new ATOM 913 N PHE A 145 -0.154 -0.881 8.610 1.00 0.10 N ATOM 914 CA PHE A 145 1.213 -0.989 8.113 1.00 0.10 C ATOM 915 C PHE A 145 2.164 -0.173 8.977 1.00 0.09 C ATOM 916 O PHE A 145 1.735 0.501 9.897 1.00 0.10 O ATOM 917 CB PHE A 145 1.339 -0.549 6.639 1.00 0.16 C ATOM 918 CG PHE A 145 0.212 -0.931 5.686 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.463 -2.130 5.850 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.186 -0.102 4.658 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.499 -2.492 5.011 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.222 -0.458 3.812 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.818 -1.608 3.900 1.00 0.27 C ATOM 0 H PHE A 145 -0.468 0.061 8.842 1.00 0.10 H new ATOM 0 HA PHE A 145 1.485 -2.043 8.168 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.440 0.536 6.621 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.267 -0.963 6.244 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.173 -2.795 6.650 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.319 0.841 4.511 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.055 -3.403 5.175 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.544 0.242 3.056 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.543 -1.905 3.157 1.00 0.27 H new ATOM 933 N THR A 146 3.455 -0.230 8.684 1.00 0.09 N ATOM 934 CA THR A 146 4.425 0.538 9.446 1.00 0.12 C ATOM 935 C THR A 146 5.058 1.625 8.613 1.00 0.12 C ATOM 936 O THR A 146 5.375 1.437 7.438 1.00 0.15 O ATOM 937 CB THR A 146 5.548 -0.331 10.021 1.00 0.15 C ATOM 938 OG1 THR A 146 6.055 -1.233 9.027 1.00 0.16 O ATOM 939 CG2 THR A 146 5.083 -1.099 11.233 1.00 0.19 C ATOM 0 H THR A 146 3.851 -0.794 7.932 1.00 0.09 H new ATOM 0 HA THR A 146 3.857 0.977 10.266 1.00 0.12 H new ATOM 0 HB THR A 146 6.352 0.336 10.330 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.772 -1.777 9.414 1.00 0.16 H new ATOM 0 HG21 THR A 146 5.904 -1.705 11.616 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.757 -0.400 12.004 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.252 -1.747 10.956 1.00 0.19 H new ATOM 947 N VAL A 147 5.230 2.754 9.250 1.00 0.14 N ATOM 948 CA VAL A 147 5.817 3.930 8.632 1.00 0.15 C ATOM 949 C VAL A 147 7.302 4.058 8.991 1.00 0.23 C ATOM 950 O VAL A 147 7.699 3.768 10.121 1.00 0.29 O ATOM 951 CB VAL A 147 5.048 5.179 9.098 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.803 6.457 8.767 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.671 5.208 8.472 1.00 0.73 C ATOM 0 H VAL A 147 4.965 2.891 10.225 1.00 0.14 H new ATOM 0 HA VAL A 147 5.744 3.834 7.549 1.00 0.15 H new ATOM 0 HB VAL A 147 4.948 5.123 10.182 1.00 0.28 H new ATOM 0 HG11 VAL A 147 5.230 7.318 9.111 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.773 6.445 9.264 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.948 6.525 7.689 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.137 6.096 8.809 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.765 5.232 7.386 1.00 0.73 H new ATOM 0 HG23 VAL A 147 3.118 4.317 8.769 1.00 0.73 H new ATOM 963 N GLN A 148 8.119 4.481 8.028 1.00 0.37 N ATOM 964 CA GLN A 148 9.548 4.658 8.267 1.00 0.51 C ATOM 965 C GLN A 148 9.993 6.082 7.905 1.00 0.58 C ATOM 966 O GLN A 148 10.143 6.925 8.787 1.00 1.16 O ATOM 967 CB GLN A 148 10.351 3.613 7.484 1.00 0.57 C ATOM 968 CG GLN A 148 11.844 3.626 7.772 1.00 1.20 C ATOM 969 CD GLN A 148 12.593 2.523 7.042 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.607 2.022 7.525 1.00 2.45 O ATOM 971 NE2 GLN A 148 12.105 2.137 5.870 1.00 2.15 N ATOM 0 H GLN A 148 7.817 4.706 7.080 1.00 0.37 H new ATOM 0 HA GLN A 148 9.741 4.513 9.330 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.957 2.623 7.713 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.197 3.778 6.418 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.257 4.592 7.483 1.00 1.20 H new ATOM 0 HG3 GLN A 148 12.004 3.519 8.845 1.00 1.20 H new ATOM 0 HE21 GLN A 148 11.261 2.575 5.500 1.00 2.15 H new ATOM 0 HE22 GLN A 148 12.573 1.402 5.339 1.00 2.15 H new ATOM 980 N ALA A 149 10.178 6.355 6.611 1.00 0.40 N ATOM 981 CA ALA A 149 10.608 7.683 6.155 1.00 0.39 C ATOM 982 C ALA A 149 10.432 7.832 4.642 1.00 0.31 C ATOM 983 O ALA A 149 9.352 8.173 4.169 1.00 0.37 O ATOM 984 CB ALA A 149 12.054 7.952 6.555 1.00 0.49 C ATOM 0 H ALA A 149 10.038 5.678 5.861 1.00 0.40 H new ATOM 0 HA ALA A 149 9.973 8.423 6.643 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.350 8.941 6.206 1.00 0.49 H new ATOM 0 HB2 ALA A 149 12.146 7.907 7.640 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.702 7.200 6.105 1.00 0.49 H new ATOM 990 N ASN A 150 11.490 7.549 3.884 1.00 0.26 N ATOM 991 CA ASN A 150 11.411 7.551 2.418 1.00 0.24 C ATOM 992 C ASN A 150 10.839 6.252 1.952 1.00 0.19 C ATOM 993 O ASN A 150 10.731 5.997 0.761 1.00 0.20 O ATOM 994 CB ASN A 150 12.774 7.677 1.773 1.00 0.28 C ATOM 995 CG ASN A 150 13.484 8.977 2.093 1.00 0.39 C ATOM 996 OD1 ASN A 150 12.850 10.010 2.316 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.806 8.939 2.109 1.00 1.00 N ATOM 0 H ASN A 150 12.411 7.316 4.256 1.00 0.26 H new ATOM 0 HA ASN A 150 10.792 8.403 2.136 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.398 6.844 2.097 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.664 7.591 0.692 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.338 9.785 2.311 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.293 8.063 1.919 1.00 1.00 H new ATOM 1004 N SER A 151 10.555 5.393 2.887 1.00 0.17 N ATOM 1005 CA SER A 151 9.862 4.184 2.573 1.00 0.20 C ATOM 1006 C SER A 151 8.848 3.862 3.669 1.00 0.20 C ATOM 1007 O SER A 151 9.080 4.144 4.845 1.00 0.27 O ATOM 1008 CB SER A 151 10.848 3.019 2.430 1.00 0.27 C ATOM 1009 OG SER A 151 11.902 3.345 1.544 1.00 0.94 O ATOM 0 H SER A 151 10.794 5.510 3.872 1.00 0.17 H new ATOM 0 HA SER A 151 9.341 4.324 1.626 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.257 2.764 3.407 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.322 2.137 2.064 1.00 0.27 H new ATOM 0 HG SER A 151 11.944 2.679 0.827 1.00 0.94 H new ATOM 1015 N ILE A 152 7.729 3.305 3.266 1.00 0.18 N ATOM 1016 CA ILE A 152 6.752 2.743 4.175 1.00 0.17 C ATOM 1017 C ILE A 152 6.835 1.225 4.065 1.00 0.17 C ATOM 1018 O ILE A 152 7.568 0.699 3.230 1.00 0.19 O ATOM 1019 CB ILE A 152 5.339 3.257 3.806 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.085 4.601 4.483 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.229 2.278 4.161 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.731 5.156 4.177 1.00 0.20 C ATOM 0 H ILE A 152 7.467 3.228 2.283 1.00 0.18 H new ATOM 0 HA ILE A 152 6.953 3.045 5.203 1.00 0.17 H new ATOM 0 HB ILE A 152 5.319 3.369 2.722 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.190 4.485 5.562 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.846 5.313 4.163 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.266 2.701 3.876 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.386 1.341 3.627 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.239 2.090 5.235 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.606 6.112 4.685 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.632 5.301 3.101 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.966 4.460 4.521 1.00 0.20 H new ATOM 1034 N GLU A 153 6.136 0.515 4.907 1.00 0.16 N ATOM 1035 CA GLU A 153 5.931 -0.882 4.678 1.00 0.14 C ATOM 1036 C GLU A 153 4.437 -1.081 4.543 1.00 0.23 C ATOM 1037 O GLU A 153 3.704 -0.500 5.318 1.00 0.56 O ATOM 1038 CB GLU A 153 6.462 -1.696 5.841 1.00 0.18 C ATOM 1039 CG GLU A 153 6.886 -3.088 5.430 1.00 0.27 C ATOM 1040 CD GLU A 153 7.645 -3.816 6.523 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.056 -4.704 7.176 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.831 -3.508 6.735 1.00 0.72 O ATOM 0 H GLU A 153 5.702 0.882 5.754 1.00 0.16 H new ATOM 0 HA GLU A 153 6.458 -1.211 3.783 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.312 -1.177 6.285 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.694 -1.767 6.611 1.00 0.18 H new ATOM 0 HG2 GLU A 153 6.003 -3.667 5.159 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.511 -3.025 4.539 1.00 0.27 H new ATOM 1049 N MET A 154 3.975 -1.846 3.567 1.00 0.13 N ATOM 1050 CA MET A 154 2.531 -2.046 3.409 1.00 0.13 C ATOM 1051 C MET A 154 2.184 -3.514 3.130 1.00 0.15 C ATOM 1052 O MET A 154 2.771 -4.150 2.256 1.00 0.18 O ATOM 1053 CB MET A 154 1.985 -1.116 2.307 1.00 0.19 C ATOM 1054 CG MET A 154 2.115 -1.640 0.883 1.00 0.94 C ATOM 1055 SD MET A 154 0.687 -2.627 0.384 1.00 0.73 S ATOM 1056 CE MET A 154 1.188 -3.176 -1.242 1.00 1.32 C ATOM 0 H MET A 154 4.557 -2.331 2.884 1.00 0.13 H new ATOM 0 HA MET A 154 2.048 -1.786 4.351 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.932 -0.921 2.509 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.504 -0.160 2.373 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.231 -0.800 0.198 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.018 -2.245 0.802 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.389 -3.767 -1.689 1.00 1.32 H new ATOM 0 HE2 MET A 154 1.394 -2.310 -1.871 1.00 1.32 H new ATOM 0 HE3 MET A 154 2.088 -3.786 -1.159 1.00 1.32 H new ATOM 1066 N ILE A 155 1.267 -4.064 3.933 1.00 0.16 N ATOM 1067 CA ILE A 155 0.789 -5.424 3.738 1.00 0.19 C ATOM 1068 C ILE A 155 0.061 -5.558 2.397 1.00 0.27 C ATOM 1069 O ILE A 155 -0.857 -4.793 2.090 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.165 -5.888 4.869 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.169 -5.195 6.203 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.079 -7.407 5.018 1.00 0.25 C ATOM 1073 CD1 ILE A 155 0.955 -6.027 7.188 1.00 0.24 C ATOM 0 H ILE A 155 0.844 -3.581 4.725 1.00 0.16 H new ATOM 0 HA ILE A 155 1.674 -6.061 3.752 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.184 -5.608 4.600 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.733 -4.287 5.990 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.763 -4.887 6.676 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.750 -7.733 5.813 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.370 -7.882 4.081 1.00 0.25 H new ATOM 0 HG23 ILE A 155 0.944 -7.691 5.267 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.137 -5.446 8.092 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.389 -6.923 7.441 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.908 -6.313 6.743 1.00 0.24 H new ATOM 1297 N VAL A 169 0.274 -11.172 3.378 1.00 0.38 N ATOM 1298 CA VAL A 169 1.641 -10.956 2.950 1.00 0.32 C ATOM 1299 C VAL A 169 1.937 -9.504 3.074 1.00 0.26 C ATOM 1300 O VAL A 169 1.068 -8.699 2.829 1.00 0.29 O ATOM 1301 CB VAL A 169 1.867 -11.282 1.481 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.267 -10.834 1.087 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.632 -12.753 1.210 1.00 0.48 C ATOM 0 HA VAL A 169 2.268 -11.600 3.567 1.00 0.32 H new ATOM 0 HB VAL A 169 1.148 -10.742 0.865 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.440 -11.063 0.035 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.363 -9.760 1.245 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.002 -11.358 1.698 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.800 -12.960 0.153 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.320 -13.348 1.810 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.606 -13.012 1.472 1.00 0.48 H new ATOM 1313 N ARG A 170 3.153 -9.156 3.381 1.00 0.23 N ATOM 1314 CA ARG A 170 3.487 -7.769 3.458 1.00 0.20 C ATOM 1315 C ARG A 170 4.648 -7.377 2.598 1.00 0.19 C ATOM 1316 O ARG A 170 5.592 -8.134 2.383 1.00 0.25 O ATOM 1317 CB ARG A 170 3.664 -7.350 4.880 1.00 0.26 C ATOM 1318 CG ARG A 170 4.458 -8.325 5.701 1.00 0.23 C ATOM 1319 CD ARG A 170 5.952 -8.231 5.469 1.00 0.39 C ATOM 1320 NE ARG A 170 6.702 -9.059 6.410 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.644 -8.604 7.239 1.00 0.96 C ATOM 1322 NH1 ARG A 170 7.908 -7.304 7.324 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.303 -9.454 8.013 1.00 1.61 N ATOM 0 H ARG A 170 3.916 -9.803 3.579 1.00 0.23 H new ATOM 0 HA ARG A 170 2.641 -7.221 3.043 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.159 -6.379 4.905 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.683 -7.219 5.336 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.250 -8.153 6.757 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.125 -9.337 5.472 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.181 -8.541 4.450 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.270 -7.193 5.565 1.00 0.39 H new ATOM 0 HE ARG A 170 6.491 -10.057 6.435 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.388 -6.639 6.751 1.00 1.39 H new ATOM 0 HH12 ARG A 170 8.631 -6.971 7.962 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.089 -10.451 7.973 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.024 -9.112 8.648 1.00 1.61 H new ATOM 1337 N ALA A 171 4.524 -6.185 2.080 1.00 0.17 N ATOM 1338 CA ALA A 171 5.506 -5.626 1.200 1.00 0.16 C ATOM 1339 C ALA A 171 6.168 -4.422 1.832 1.00 0.16 C ATOM 1340 O ALA A 171 5.665 -3.869 2.801 1.00 0.20 O ATOM 1341 CB ALA A 171 4.855 -5.238 -0.113 1.00 0.16 C ATOM 0 H ALA A 171 3.730 -5.571 2.261 1.00 0.17 H new ATOM 0 HA ALA A 171 6.274 -6.376 1.012 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.605 -4.813 -0.780 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.416 -6.122 -0.577 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.075 -4.500 0.072 1.00 0.16 H new ATOM 1347 N ARG A 172 7.284 -4.012 1.266 1.00 0.16 N ATOM 1348 CA ARG A 172 7.981 -2.842 1.740 1.00 0.18 C ATOM 1349 C ARG A 172 8.014 -1.847 0.626 1.00 0.18 C ATOM 1350 O ARG A 172 8.499 -2.116 -0.471 1.00 0.22 O ATOM 1351 CB ARG A 172 9.383 -3.153 2.250 1.00 0.24 C ATOM 1352 CG ARG A 172 10.160 -1.918 2.677 1.00 0.79 C ATOM 1353 CD ARG A 172 11.394 -2.289 3.476 1.00 1.08 C ATOM 1354 NE ARG A 172 11.048 -2.954 4.733 1.00 1.97 N ATOM 1355 CZ ARG A 172 11.907 -3.653 5.467 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.170 -3.783 5.080 1.00 2.48 N ATOM 1357 NH2 ARG A 172 11.499 -4.219 6.590 1.00 3.69 N ATOM 0 H ARG A 172 7.727 -4.477 0.473 1.00 0.16 H new ATOM 0 HA ARG A 172 7.448 -2.436 2.600 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.310 -3.837 3.095 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.939 -3.670 1.468 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.453 -1.348 1.795 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.518 -1.271 3.275 1.00 0.79 H new ATOM 0 HD2 ARG A 172 12.029 -2.945 2.881 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.974 -1.391 3.688 1.00 1.08 H new ATOM 0 HE ARG A 172 10.087 -2.876 5.066 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.486 -3.345 4.215 1.00 2.48 H new ATOM 0 HH12 ARG A 172 13.825 -4.321 5.648 1.00 2.48 H new ATOM 0 HH21 ARG A 172 10.529 -4.118 6.889 1.00 3.69 H new ATOM 0 HH22 ARG A 172 12.154 -4.757 7.157 1.00 3.69 H new ATOM 1371 N LEU A 173 7.487 -0.708 0.926 1.00 0.20 N ATOM 1372 CA LEU A 173 7.062 0.219 -0.067 1.00 0.24 C ATOM 1373 C LEU A 173 7.869 1.507 0.023 1.00 0.25 C ATOM 1374 O LEU A 173 7.878 2.174 1.035 1.00 0.48 O ATOM 1375 CB LEU A 173 5.578 0.425 0.178 1.00 0.37 C ATOM 1376 CG LEU A 173 5.097 1.840 0.085 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.862 2.228 -1.335 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.871 2.028 0.946 1.00 0.54 C ATOM 0 H LEU A 173 7.337 -0.390 1.884 1.00 0.20 H new ATOM 0 HA LEU A 173 7.226 -0.146 -1.081 1.00 0.24 H new ATOM 0 HB2 LEU A 173 5.022 -0.177 -0.541 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.335 0.042 1.169 1.00 0.37 H new ATOM 0 HG LEU A 173 5.870 2.507 0.467 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.513 3.260 -1.377 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.792 2.136 -1.896 1.00 0.61 H new ATOM 0 HD13 LEU A 173 4.109 1.572 -1.772 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.529 3.060 0.872 1.00 0.54 H new ATOM 0 HD22 LEU A 173 3.081 1.359 0.605 1.00 0.54 H new ATOM 0 HD23 LEU A 173 4.117 1.801 1.983 1.00 0.54 H new ATOM 1390 N THR A 174 8.537 1.858 -1.043 1.00 0.17 N ATOM 1391 CA THR A 174 9.484 2.945 -1.000 1.00 0.15 C ATOM 1392 C THR A 174 9.057 4.109 -1.854 1.00 0.13 C ATOM 1393 O THR A 174 8.344 3.945 -2.836 1.00 0.12 O ATOM 1394 CB THR A 174 10.872 2.466 -1.428 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.382 1.515 -0.484 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.811 3.640 -1.549 1.00 0.20 C ATOM 0 H THR A 174 8.444 1.408 -1.954 1.00 0.17 H new ATOM 0 HA THR A 174 9.523 3.291 0.033 1.00 0.15 H new ATOM 0 HB THR A 174 10.792 1.980 -2.401 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.270 1.215 -0.770 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.796 3.288 -1.854 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.428 4.337 -2.294 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.888 4.145 -0.586 1.00 0.20 H new ATOM 1404 N PHE A 175 9.499 5.288 -1.445 1.00 0.16 N ATOM 1405 CA PHE A 175 9.165 6.513 -2.114 1.00 0.17 C ATOM 1406 C PHE A 175 10.379 7.224 -2.723 1.00 0.19 C ATOM 1407 O PHE A 175 11.082 7.948 -2.025 1.00 0.32 O ATOM 1408 CB PHE A 175 8.556 7.438 -1.095 1.00 0.30 C ATOM 1409 CG PHE A 175 7.579 6.778 -0.196 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.380 6.319 -0.683 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.870 6.608 1.136 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.479 5.702 0.137 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.974 5.992 1.967 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.775 5.535 1.464 1.00 0.15 C ATOM 0 H PHE A 175 10.103 5.411 -0.633 1.00 0.16 H new ATOM 0 HA PHE A 175 8.486 6.267 -2.931 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.353 7.875 -0.493 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.061 8.259 -1.613 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.146 6.448 -1.729 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.811 6.963 1.529 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.539 5.348 -0.258 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.206 5.864 3.014 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.068 5.045 2.117 1.00 0.15 H new ATOM 1424 N ASP A 176 10.587 7.077 -4.022 1.00 0.16 N ATOM 1425 CA ASP A 176 11.743 7.695 -4.681 1.00 0.20 C ATOM 1426 C ASP A 176 11.396 9.070 -5.232 1.00 0.19 C ATOM 1427 O ASP A 176 10.794 9.192 -6.293 1.00 0.20 O ATOM 1428 CB ASP A 176 12.268 6.811 -5.818 1.00 0.29 C ATOM 1429 CG ASP A 176 13.424 7.444 -6.576 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.194 7.969 -7.683 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.564 7.439 -6.057 1.00 0.68 O ATOM 0 H ASP A 176 9.980 6.541 -4.643 1.00 0.16 H new ATOM 0 HA ASP A 176 12.521 7.804 -3.925 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.590 5.854 -5.408 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.455 6.602 -6.514 1.00 0.29 H new ATOM 1436 N GLY A 177 11.758 10.104 -4.501 1.00 0.21 N ATOM 1437 CA GLY A 177 11.620 11.446 -5.028 1.00 0.23 C ATOM 1438 C GLY A 177 10.235 12.022 -4.880 1.00 0.23 C ATOM 1439 O GLY A 177 9.762 12.280 -3.772 1.00 0.27 O ATOM 0 H GLY A 177 12.143 10.045 -3.558 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.330 12.099 -4.521 1.00 0.23 H new ATOM 0 HA3 GLY A 177 11.889 11.440 -6.084 1.00 0.23 H new ATOM 1443 N ASP A 178 9.592 12.230 -6.014 1.00 0.22 N ATOM 1444 CA ASP A 178 8.273 12.831 -6.060 1.00 0.26 C ATOM 1445 C ASP A 178 7.327 11.772 -6.508 1.00 0.23 C ATOM 1446 O ASP A 178 6.159 12.028 -6.776 1.00 0.25 O ATOM 1447 CB ASP A 178 8.227 13.975 -7.064 1.00 0.34 C ATOM 1448 CG ASP A 178 7.388 15.141 -6.592 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.717 15.721 -5.535 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.420 15.512 -7.292 1.00 1.34 O ATOM 0 H ASP A 178 9.970 11.987 -6.930 1.00 0.22 H new ATOM 0 HA ASP A 178 8.015 13.227 -5.078 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.242 14.320 -7.260 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.828 13.606 -8.009 1.00 0.34 H new ATOM 1455 N HIS A 179 7.864 10.565 -6.579 1.00 0.19 N ATOM 1456 CA HIS A 179 7.109 9.423 -7.009 1.00 0.17 C ATOM 1457 C HIS A 179 7.409 8.207 -6.172 1.00 0.13 C ATOM 1458 O HIS A 179 8.404 8.145 -5.464 1.00 0.13 O ATOM 1459 CB HIS A 179 7.402 9.126 -8.483 1.00 0.22 C ATOM 1460 CG HIS A 179 8.772 8.578 -8.764 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.044 7.231 -8.842 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.951 9.204 -8.975 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.326 7.054 -9.082 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.907 8.235 -9.166 1.00 0.45 N ATOM 0 H HIS A 179 8.834 10.360 -6.339 1.00 0.19 H new ATOM 0 HA HIS A 179 6.052 9.660 -6.886 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.661 8.414 -8.848 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.271 10.044 -9.055 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.358 6.485 -8.731 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.113 10.272 -8.991 1.00 0.93 H new ATOM 0 HE1 HIS A 179 10.820 6.100 -9.192 1.00 1.05 H new ATOM 1473 N LEU A 180 6.508 7.250 -6.249 1.00 0.13 N ATOM 1474 CA LEU A 180 6.700 5.987 -5.575 1.00 0.12 C ATOM 1475 C LEU A 180 7.837 5.229 -6.195 1.00 0.14 C ATOM 1476 O LEU A 180 7.976 5.169 -7.413 1.00 0.22 O ATOM 1477 CB LEU A 180 5.440 5.142 -5.647 1.00 0.17 C ATOM 1478 CG LEU A 180 5.303 4.170 -4.503 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.577 4.896 -3.216 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.926 3.560 -4.485 1.00 0.20 C ATOM 0 H LEU A 180 5.636 7.325 -6.772 1.00 0.13 H new ATOM 0 HA LEU A 180 6.931 6.198 -4.531 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.571 5.800 -5.661 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.436 4.589 -6.586 1.00 0.17 H new ATOM 0 HG LEU A 180 6.022 3.360 -4.626 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.481 4.203 -2.380 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.588 5.303 -3.236 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.861 5.709 -3.097 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.848 2.862 -3.652 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.181 4.347 -4.369 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.751 3.029 -5.421 1.00 0.20 H new ATOM 1492 N ALA A 181 8.642 4.654 -5.335 1.00 0.12 N ATOM 1493 CA ALA A 181 9.822 3.972 -5.747 1.00 0.13 C ATOM 1494 C ALA A 181 9.535 2.524 -6.085 1.00 0.14 C ATOM 1495 O ALA A 181 9.929 2.023 -7.137 1.00 0.15 O ATOM 1496 CB ALA A 181 10.822 4.052 -4.635 1.00 0.13 C ATOM 0 H ALA A 181 8.487 4.652 -4.327 1.00 0.12 H new ATOM 0 HA ALA A 181 10.213 4.444 -6.648 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.735 3.535 -4.929 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.048 5.097 -4.424 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.411 3.582 -3.742 1.00 0.13 H new ATOM 1502 N THR A 182 8.848 1.859 -5.173 1.00 0.15 N ATOM 1503 CA THR A 182 8.558 0.450 -5.308 1.00 0.18 C ATOM 1504 C THR A 182 7.776 -0.038 -4.118 1.00 0.17 C ATOM 1505 O THR A 182 7.514 0.703 -3.174 1.00 0.16 O ATOM 1506 CB THR A 182 9.840 -0.395 -5.395 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.539 -1.725 -5.839 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.493 -0.447 -4.030 1.00 0.24 C ATOM 0 H THR A 182 8.478 2.283 -4.322 1.00 0.15 H new ATOM 0 HA THR A 182 7.985 0.337 -6.229 1.00 0.18 H new ATOM 0 HB THR A 182 10.519 0.062 -6.114 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.366 -2.248 -5.890 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.403 -1.045 -4.084 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.742 0.564 -3.707 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.805 -0.898 -3.315 1.00 0.24 H new ATOM 1516 N ILE A 183 7.440 -1.300 -4.193 1.00 0.20 N ATOM 1517 CA ILE A 183 6.750 -2.020 -3.170 1.00 0.18 C ATOM 1518 C ILE A 183 7.156 -3.459 -3.338 1.00 0.20 C ATOM 1519 O ILE A 183 7.098 -3.981 -4.443 1.00 0.28 O ATOM 1520 CB ILE A 183 5.238 -1.897 -3.320 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.821 -0.511 -2.895 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.536 -2.966 -2.517 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.517 0.406 -4.043 1.00 0.20 C ATOM 0 H ILE A 183 7.653 -1.874 -5.009 1.00 0.20 H new ATOM 0 HA ILE A 183 7.004 -1.625 -2.186 1.00 0.18 H new ATOM 0 HB ILE A 183 4.952 -2.046 -4.361 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.940 -0.586 -2.258 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.615 -0.072 -2.291 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.458 -2.862 -2.637 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.847 -3.949 -2.870 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.796 -2.860 -1.464 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.224 1.384 -3.660 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.403 0.512 -4.669 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.702 -0.010 -4.635 1.00 0.20 H new ATOM 1535 N VAL A 184 7.608 -4.082 -2.286 1.00 0.21 N ATOM 1536 CA VAL A 184 8.174 -5.403 -2.413 1.00 0.24 C ATOM 1537 C VAL A 184 7.584 -6.365 -1.434 1.00 0.23 C ATOM 1538 O VAL A 184 7.743 -6.177 -0.237 1.00 0.22 O ATOM 1539 CB VAL A 184 9.676 -5.358 -2.176 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.259 -6.756 -2.182 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.323 -4.457 -3.212 1.00 0.34 C ATOM 0 H VAL A 184 7.598 -3.705 -1.338 1.00 0.21 H new ATOM 0 HA VAL A 184 7.949 -5.742 -3.424 1.00 0.24 H new ATOM 0 HB VAL A 184 9.882 -4.938 -1.191 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.334 -6.703 -2.011 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.795 -7.347 -1.393 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.068 -7.226 -3.147 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.399 -4.424 -3.044 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.124 -4.848 -4.210 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.911 -3.451 -3.128 1.00 0.34 H new ATOM 1551 N ASN A 185 6.934 -7.405 -1.935 1.00 0.29 N ATOM 1552 CA ASN A 185 6.443 -8.465 -1.071 1.00 0.32 C ATOM 1553 C ASN A 185 7.630 -9.068 -0.374 1.00 0.33 C ATOM 1554 O ASN A 185 8.312 -9.931 -0.903 1.00 0.40 O ATOM 1555 CB ASN A 185 5.680 -9.534 -1.861 1.00 0.44 C ATOM 1556 CG ASN A 185 4.520 -8.970 -2.662 1.00 0.98 C ATOM 1557 OD1 ASN A 185 4.164 -9.501 -3.707 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.918 -7.893 -2.179 1.00 1.57 N ATOM 0 H ASN A 185 6.736 -7.536 -2.927 1.00 0.29 H new ATOM 0 HA ASN A 185 5.739 -8.052 -0.349 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.370 -10.038 -2.538 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.304 -10.288 -1.170 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.132 -7.480 -2.681 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.241 -7.477 -1.306 1.00 1.57 H new ATOM 1565 N MET A 186 7.829 -8.575 0.828 1.00 0.31 N ATOM 1566 CA MET A 186 9.026 -8.751 1.622 1.00 0.36 C ATOM 1567 C MET A 186 9.362 -10.178 1.855 1.00 0.43 C ATOM 1568 O MET A 186 10.491 -10.531 2.195 1.00 0.53 O ATOM 1569 CB MET A 186 8.797 -8.046 2.935 1.00 0.36 C ATOM 1570 CG MET A 186 8.961 -6.561 2.816 1.00 0.34 C ATOM 1571 SD MET A 186 10.641 -6.094 2.347 1.00 0.94 S ATOM 1572 CE MET A 186 11.592 -6.810 3.689 1.00 1.42 C ATOM 0 H MET A 186 7.124 -8.011 1.303 1.00 0.31 H new ATOM 0 HA MET A 186 9.875 -8.331 1.082 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.794 -8.271 3.296 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.497 -8.429 3.678 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.259 -6.178 2.075 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.708 -6.092 3.767 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.553 -6.301 3.766 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.044 -6.696 4.624 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.758 -7.869 3.493 1.00 1.42 H new ATOM 1582 N GLU A 187 8.381 -10.991 1.671 1.00 0.43 N ATOM 1583 CA GLU A 187 8.527 -12.368 1.901 1.00 0.51 C ATOM 1584 C GLU A 187 9.353 -12.987 0.806 1.00 0.59 C ATOM 1585 O GLU A 187 10.252 -13.796 1.039 1.00 0.68 O ATOM 1586 CB GLU A 187 7.154 -12.957 1.957 1.00 0.50 C ATOM 1587 CG GLU A 187 6.186 -12.024 2.649 1.00 0.42 C ATOM 1588 CD GLU A 187 5.137 -12.734 3.479 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.385 -12.055 4.210 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.058 -13.979 3.397 1.00 0.67 O ATOM 0 H GLU A 187 7.453 -10.708 1.355 1.00 0.43 H new ATOM 0 HA GLU A 187 9.047 -12.561 2.839 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.803 -13.165 0.946 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.186 -13.910 2.486 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.747 -11.346 3.293 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.688 -11.411 1.898 1.00 0.42 H new ATOM 1597 N ASN A 188 9.038 -12.567 -0.390 1.00 0.58 N ATOM 1598 CA ASN A 188 9.760 -12.992 -1.568 1.00 0.67 C ATOM 1599 C ASN A 188 10.892 -12.035 -1.892 1.00 0.64 C ATOM 1600 O ASN A 188 11.960 -12.455 -2.336 1.00 0.74 O ATOM 1601 CB ASN A 188 8.805 -13.116 -2.758 1.00 0.73 C ATOM 1602 CG ASN A 188 9.512 -13.454 -4.057 1.00 1.45 C ATOM 1603 OD1 ASN A 188 9.946 -12.562 -4.791 1.00 2.36 O ATOM 1604 ND2 ASN A 188 9.618 -14.738 -4.355 1.00 1.95 N ATOM 0 H ASN A 188 8.273 -11.919 -0.579 1.00 0.58 H new ATOM 0 HA ASN A 188 10.197 -13.970 -1.364 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.065 -13.887 -2.543 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.263 -12.178 -2.880 1.00 0.73 H new ATOM 0 HD21 ASN A 188 10.073 -15.025 -5.222 1.00 1.95 H new ATOM 0 HD22 ASN A 188 9.244 -15.442 -3.718 1.00 1.95 H new ATOM 1611 N ASN A 189 10.647 -10.755 -1.610 1.00 0.53 N ATOM 1612 CA ASN A 189 11.623 -9.680 -1.726 1.00 0.52 C ATOM 1613 C ASN A 189 12.612 -9.816 -2.897 1.00 0.61 C ATOM 1614 O ASN A 189 13.775 -9.433 -2.776 1.00 0.71 O ATOM 1615 CB ASN A 189 12.340 -9.542 -0.387 1.00 0.59 C ATOM 1616 CG ASN A 189 13.309 -10.671 -0.065 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.482 -10.634 -0.442 1.00 1.80 O ATOM 1618 ND2 ASN A 189 12.840 -11.659 0.680 1.00 1.74 N ATOM 0 H ASN A 189 9.736 -10.432 -1.285 1.00 0.53 H new ATOM 0 HA ASN A 189 11.075 -8.770 -1.969 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.886 -8.599 -0.378 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.594 -9.485 0.405 1.00 0.59 H new ATOM 0 HD21 ASN A 189 13.455 -12.423 0.960 1.00 1.74 H new ATOM 0 HD22 ASN A 189 11.863 -11.657 0.974 1.00 1.74 H new