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 -125:sc= -0.53 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.751 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 120 SER OG : rot 180:sc= -1.35 USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= 0.0595 (180deg=-0.173) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl 144:sc= -1.2 (180deg=-3.6!) USER MOD Single : A 126 LYS NZ :NH3+ 149:sc= -1.78 (180deg=-3.33!) USER MOD Single : A 131 THR OG1 : rot -48:sc= 0.254 USER MOD Single : A 132 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-0.95) USER MOD Single : A 133 TYR OH : rot 86:sc= -7.44! 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 -147:sc= -11.4! (180deg=-17.2!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -150:sc= -0.746 USER MOD Single : A 148 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 150 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.3) USER MOD Single : A 154 MET CE :methyl 155:sc= -0.414 (180deg=-1.37!) USER MOD Single : A 179 HIS : +bothHN:sc= -0.415 K(o=-0.42,f=-5.1!) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.0375 USER MOD Single : A 185 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.2!) USER MOD Single : A 186 MET CE :methyl 157:sc= -0.189 (180deg=-0.84) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.337 8.405 -8.268 1.00 0.27 N ATOM 468 CA THR A 118 4.388 9.375 -8.047 1.00 0.26 C ATOM 469 C THR A 118 4.027 10.244 -6.863 1.00 0.25 C ATOM 470 O THR A 118 3.192 11.143 -6.959 1.00 0.32 O ATOM 471 CB THR A 118 4.629 10.231 -9.303 1.00 0.30 C ATOM 472 OG1 THR A 118 5.285 9.455 -10.315 1.00 0.32 O ATOM 473 CG2 THR A 118 5.423 11.505 -9.018 1.00 0.32 C ATOM 0 HA THR A 118 5.317 8.846 -7.833 1.00 0.26 H new ATOM 0 HB THR A 118 3.648 10.546 -9.658 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.431 10.010 -11.109 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.559 12.064 -9.944 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.880 12.119 -8.300 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.398 11.242 -8.607 1.00 0.32 H new ATOM 481 N ILE A 119 4.626 9.926 -5.734 1.00 0.19 N ATOM 482 CA ILE A 119 4.301 10.573 -4.501 1.00 0.18 C ATOM 483 C ILE A 119 5.554 11.011 -3.762 1.00 0.19 C ATOM 484 O ILE A 119 6.656 10.560 -4.037 1.00 0.20 O ATOM 485 CB ILE A 119 3.595 9.613 -3.580 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.613 8.736 -2.942 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.602 8.771 -4.286 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.085 8.161 -1.715 1.00 0.17 C ATOM 0 H ILE A 119 5.350 9.211 -5.656 1.00 0.19 H new ATOM 0 HA ILE A 119 3.677 11.430 -4.753 1.00 0.18 H new ATOM 0 HB ILE A 119 3.052 10.199 -2.838 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.901 7.941 -3.630 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.513 9.311 -2.725 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.124 8.098 -3.574 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.847 9.408 -4.747 1.00 0.19 H new ATOM 0 HG23 ILE A 119 3.103 8.186 -5.057 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.840 7.521 -1.258 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.820 8.960 -1.023 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.198 7.570 -1.943 1.00 0.17 H new ATOM 500 N SER A 120 5.337 11.741 -2.714 1.00 0.21 N ATOM 501 CA SER A 120 6.414 12.416 -2.022 1.00 0.28 C ATOM 502 C SER A 120 6.436 12.015 -0.559 1.00 0.28 C ATOM 503 O SER A 120 5.590 11.237 -0.116 1.00 0.25 O ATOM 504 CB SER A 120 6.260 13.930 -2.156 1.00 0.36 C ATOM 505 OG SER A 120 5.001 14.356 -1.664 1.00 1.29 O ATOM 0 H SER A 120 4.414 11.892 -2.307 1.00 0.21 H new ATOM 0 HA SER A 120 7.360 12.120 -2.476 1.00 0.28 H new ATOM 0 HB2 SER A 120 7.058 14.431 -1.607 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.363 14.219 -3.202 1.00 0.36 H new ATOM 0 HG SER A 120 4.925 15.329 -1.758 1.00 1.29 H new ATOM 511 N LYS A 121 7.383 12.553 0.191 1.00 0.35 N ATOM 512 CA LYS A 121 7.499 12.235 1.612 1.00 0.40 C ATOM 513 C LYS A 121 6.225 12.628 2.356 1.00 0.36 C ATOM 514 O LYS A 121 5.779 11.935 3.267 1.00 0.38 O ATOM 515 CB LYS A 121 8.708 12.940 2.229 1.00 0.50 C ATOM 516 CG LYS A 121 10.012 12.696 1.478 1.00 1.34 C ATOM 517 CD LYS A 121 10.257 11.213 1.220 1.00 1.71 C ATOM 518 CE LYS A 121 11.527 10.988 0.414 1.00 2.46 C ATOM 519 NZ LYS A 121 11.473 11.645 -0.919 1.00 3.26 N ATOM 0 H LYS A 121 8.082 13.210 -0.155 1.00 0.35 H new ATOM 0 HA LYS A 121 7.641 11.158 1.706 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.514 14.012 2.262 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.825 12.605 3.260 1.00 0.50 H new ATOM 0 HG2 LYS A 121 9.988 13.230 0.528 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.843 13.106 2.053 1.00 1.34 H new ATOM 0 HD2 LYS A 121 10.330 10.685 2.171 1.00 1.71 H new ATOM 0 HD3 LYS A 121 9.406 10.791 0.685 1.00 1.71 H new ATOM 0 HE2 LYS A 121 12.381 11.372 0.972 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.687 9.918 0.283 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 12.239 11.277 -1.519 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 10.556 11.446 -1.367 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 11.586 12.672 -0.804 1.00 3.26 H new ATOM 533 N ASN A 122 5.642 13.746 1.964 1.00 0.37 N ATOM 534 CA ASN A 122 4.402 14.200 2.556 1.00 0.37 C ATOM 535 C ASN A 122 3.221 13.561 1.874 1.00 0.30 C ATOM 536 O ASN A 122 2.145 13.456 2.467 1.00 0.29 O ATOM 537 CB ASN A 122 4.296 15.725 2.486 1.00 0.48 C ATOM 538 CG ASN A 122 5.269 16.426 3.411 1.00 1.22 C ATOM 539 OD1 ASN A 122 6.412 16.699 3.042 1.00 2.17 O ATOM 540 ND2 ASN A 122 4.820 16.731 4.615 1.00 1.64 N ATOM 0 H ASN A 122 6.011 14.357 1.235 1.00 0.37 H new ATOM 0 HA ASN A 122 4.398 13.901 3.604 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.478 16.050 1.462 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.280 16.026 2.740 1.00 0.48 H new ATOM 0 HD21 ASN A 122 5.427 17.211 5.279 1.00 1.64 H new ATOM 0 HD22 ASN A 122 3.866 16.487 4.881 1.00 1.64 H new ATOM 547 N GLU A 123 3.406 13.099 0.642 1.00 0.27 N ATOM 548 CA GLU A 123 2.325 12.506 -0.058 1.00 0.25 C ATOM 549 C GLU A 123 2.023 11.167 0.523 1.00 0.21 C ATOM 550 O GLU A 123 0.925 10.690 0.457 1.00 0.26 O ATOM 551 CB GLU A 123 2.569 12.415 -1.539 1.00 0.27 C ATOM 552 CG GLU A 123 1.628 13.282 -2.323 1.00 0.30 C ATOM 553 CD GLU A 123 1.697 13.035 -3.812 1.00 0.37 C ATOM 554 OE1 GLU A 123 2.491 13.715 -4.490 1.00 0.45 O ATOM 555 OE2 GLU A 123 0.970 12.151 -4.310 1.00 0.50 O ATOM 0 H GLU A 123 4.289 13.133 0.133 1.00 0.27 H new ATOM 0 HA GLU A 123 1.458 13.155 0.064 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.596 12.709 -1.755 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.459 11.379 -1.861 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.609 13.106 -1.978 1.00 0.30 H new ATOM 0 HG3 GLU A 123 1.856 14.329 -2.123 1.00 0.30 H new ATOM 562 N MET A 124 2.979 10.590 1.161 1.00 0.19 N ATOM 563 CA MET A 124 2.739 9.318 1.780 1.00 0.20 C ATOM 564 C MET A 124 2.144 9.515 3.138 1.00 0.17 C ATOM 565 O MET A 124 1.379 8.689 3.618 1.00 0.16 O ATOM 566 CB MET A 124 4.000 8.474 1.878 1.00 0.27 C ATOM 567 CG MET A 124 5.219 9.238 2.376 1.00 1.21 C ATOM 568 SD MET A 124 6.131 8.387 3.681 1.00 2.28 S ATOM 569 CE MET A 124 5.031 8.577 5.079 1.00 3.06 C ATOM 0 H MET A 124 3.922 10.963 1.272 1.00 0.19 H new ATOM 0 HA MET A 124 2.038 8.775 1.146 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.812 7.634 2.547 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.222 8.056 0.896 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.890 9.420 1.536 1.00 1.21 H new ATOM 0 HG3 MET A 124 4.899 10.212 2.745 1.00 1.21 H new ATOM 0 HE1 MET A 124 5.068 7.679 5.696 1.00 3.06 H new ATOM 0 HE2 MET A 124 5.341 9.438 5.672 1.00 3.06 H new ATOM 0 HE3 MET A 124 4.012 8.730 4.722 1.00 3.06 H new ATOM 579 N VAL A 125 2.472 10.638 3.729 1.00 0.20 N ATOM 580 CA VAL A 125 2.037 10.947 5.065 1.00 0.22 C ATOM 581 C VAL A 125 0.535 11.059 5.151 1.00 0.21 C ATOM 582 O VAL A 125 -0.075 10.792 6.176 1.00 0.23 O ATOM 583 CB VAL A 125 2.680 12.248 5.539 1.00 0.29 C ATOM 584 CG1 VAL A 125 1.797 12.950 6.548 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.053 11.956 6.107 1.00 0.32 C ATOM 0 H VAL A 125 3.047 11.361 3.297 1.00 0.20 H new ATOM 0 HA VAL A 125 2.350 10.127 5.711 1.00 0.22 H new ATOM 0 HB VAL A 125 2.794 12.922 4.690 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.277 13.874 6.871 1.00 0.35 H new ATOM 0 HG12 VAL A 125 0.835 13.181 6.091 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.643 12.301 7.410 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.512 12.885 6.445 1.00 0.32 H new ATOM 0 HG22 VAL A 125 3.960 11.270 6.949 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.677 11.503 5.336 1.00 0.32 H new ATOM 595 N LYS A 126 -0.035 11.515 4.090 1.00 0.20 N ATOM 596 CA LYS A 126 -1.463 11.504 3.945 1.00 0.20 C ATOM 597 C LYS A 126 -1.934 10.117 3.557 1.00 0.16 C ATOM 598 O LYS A 126 -2.943 9.659 4.041 1.00 0.19 O ATOM 599 CB LYS A 126 -1.829 12.480 2.866 1.00 0.24 C ATOM 600 CG LYS A 126 -1.225 12.045 1.558 1.00 0.32 C ATOM 601 CD LYS A 126 -0.498 13.094 0.782 1.00 0.39 C ATOM 602 CE LYS A 126 -1.339 14.302 0.408 1.00 0.59 C ATOM 603 NZ LYS A 126 -1.690 15.172 1.565 1.00 1.51 N ATOM 0 H LYS A 126 0.468 11.907 3.294 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.937 11.781 4.887 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.913 12.543 2.773 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.473 13.476 3.128 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.534 11.226 1.756 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -2.021 11.645 0.930 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.358 13.431 1.366 1.00 0.39 H new ATOM 0 HD3 LYS A 126 -0.105 12.645 -0.130 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.798 14.895 -0.330 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -2.257 13.960 -0.069 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.773 16.158 1.245 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -2.596 14.862 1.970 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.946 15.104 2.289 1.00 1.51 H new ATOM 617 N LEU A 127 -1.182 9.459 2.679 1.00 0.15 N ATOM 618 CA LEU A 127 -1.571 8.186 2.132 1.00 0.19 C ATOM 619 C LEU A 127 -1.789 7.138 3.138 1.00 0.20 C ATOM 620 O LEU A 127 -2.719 6.386 2.970 1.00 0.24 O ATOM 621 CB LEU A 127 -0.600 7.711 1.110 1.00 0.25 C ATOM 622 CG LEU A 127 -1.083 8.035 -0.286 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.008 8.743 -1.105 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.605 6.786 -0.954 1.00 0.40 C ATOM 0 H LEU A 127 -0.286 9.804 2.334 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.536 8.371 1.661 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.370 8.177 1.281 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.459 6.635 1.209 1.00 0.25 H new ATOM 0 HG LEU A 127 -1.911 8.740 -0.217 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.393 8.959 -2.102 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.269 9.675 -0.613 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.869 8.101 -1.186 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -1.951 7.028 -1.959 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -0.808 6.045 -1.013 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.434 6.382 -0.373 1.00 0.40 H new ATOM 636 N LEU A 128 -0.990 7.044 4.177 1.00 0.18 N ATOM 637 CA LEU A 128 -1.316 6.033 5.133 1.00 0.24 C ATOM 638 C LEU A 128 -2.681 6.354 5.757 1.00 0.26 C ATOM 639 O LEU A 128 -3.529 5.483 5.906 1.00 0.32 O ATOM 640 CB LEU A 128 -0.216 5.750 6.193 1.00 0.28 C ATOM 641 CG LEU A 128 0.553 6.913 6.802 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.791 7.193 6.024 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.278 8.127 6.839 1.00 0.21 C ATOM 0 H LEU A 128 -0.167 7.615 4.369 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.376 5.088 4.593 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.684 5.203 7.012 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.512 5.079 5.737 1.00 0.28 H new ATOM 0 HG LEU A 128 0.823 6.631 7.820 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.325 8.028 6.478 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.430 6.310 6.026 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.526 7.446 4.997 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.293 8.945 7.278 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.575 8.395 5.825 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.167 7.941 7.441 1.00 0.21 H new ATOM 655 N GLU A 129 -2.920 7.632 6.000 1.00 0.23 N ATOM 656 CA GLU A 129 -4.176 8.100 6.544 1.00 0.28 C ATOM 657 C GLU A 129 -5.259 7.838 5.519 1.00 0.25 C ATOM 658 O GLU A 129 -6.419 7.569 5.826 1.00 0.31 O ATOM 659 CB GLU A 129 -4.105 9.605 6.771 1.00 0.32 C ATOM 660 CG GLU A 129 -2.819 10.066 7.416 1.00 0.44 C ATOM 661 CD GLU A 129 -2.828 11.548 7.722 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.725 12.362 6.780 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.953 11.915 8.911 1.00 2.23 O ATOM 0 H GLU A 129 -2.243 8.374 5.823 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.384 7.589 7.484 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.223 10.113 5.814 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.944 9.908 7.398 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.658 9.508 8.338 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.982 9.839 6.755 1.00 0.44 H new ATOM 670 N ALA A 130 -4.810 7.912 4.281 1.00 0.21 N ATOM 671 CA ALA A 130 -5.647 7.904 3.122 1.00 0.25 C ATOM 672 C ALA A 130 -5.886 6.478 2.645 1.00 0.28 C ATOM 673 O ALA A 130 -6.674 6.224 1.734 1.00 0.33 O ATOM 674 CB ALA A 130 -4.962 8.732 2.037 1.00 0.26 C ATOM 0 H ALA A 130 -3.817 7.981 4.059 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.620 8.335 3.358 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.582 8.741 1.141 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.822 9.753 2.392 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -3.992 8.293 1.803 1.00 0.26 H new ATOM 680 N THR A 131 -5.181 5.552 3.276 1.00 0.26 N ATOM 681 CA THR A 131 -5.208 4.165 2.884 1.00 0.29 C ATOM 682 C THR A 131 -5.660 3.319 4.067 1.00 0.29 C ATOM 683 O THR A 131 -5.716 2.086 4.004 1.00 0.33 O ATOM 684 CB THR A 131 -3.827 3.710 2.373 1.00 0.30 C ATOM 685 OG1 THR A 131 -3.915 2.415 1.761 1.00 0.36 O ATOM 686 CG2 THR A 131 -2.845 3.664 3.516 1.00 0.28 C ATOM 0 H THR A 131 -4.576 5.748 4.074 1.00 0.26 H new ATOM 0 HA THR A 131 -5.915 4.038 2.064 1.00 0.29 H new ATOM 0 HB THR A 131 -3.483 4.427 1.627 1.00 0.30 H new ATOM 0 HG1 THR A 131 -4.413 1.809 2.348 1.00 0.36 H new ATOM 0 HG21 THR A 131 -1.872 3.342 3.147 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.755 4.656 3.958 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.198 2.961 4.271 1.00 0.28 H new ATOM 694 N GLN A 132 -5.965 4.032 5.148 1.00 0.25 N ATOM 695 CA GLN A 132 -6.416 3.457 6.408 1.00 0.25 C ATOM 696 C GLN A 132 -5.308 2.682 7.096 1.00 0.21 C ATOM 697 O GLN A 132 -5.448 1.507 7.429 1.00 0.23 O ATOM 698 CB GLN A 132 -7.642 2.570 6.213 1.00 0.32 C ATOM 699 CG GLN A 132 -8.807 3.275 5.544 1.00 0.41 C ATOM 700 CD GLN A 132 -9.928 2.325 5.185 1.00 1.38 C ATOM 701 OE1 GLN A 132 -9.700 1.149 4.900 1.00 2.19 O ATOM 702 NE2 GLN A 132 -11.149 2.827 5.193 1.00 2.15 N ATOM 0 H GLN A 132 -5.903 5.050 5.171 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.698 4.290 7.052 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.361 1.704 5.614 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -7.965 2.195 7.184 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.190 4.049 6.209 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.456 3.775 4.642 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -11.296 3.807 5.435 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -11.945 2.235 4.957 1.00 2.15 H new ATOM 711 N TYR A 133 -4.205 3.362 7.298 1.00 0.17 N ATOM 712 CA TYR A 133 -3.035 2.793 7.874 1.00 0.15 C ATOM 713 C TYR A 133 -2.284 3.900 8.572 1.00 0.15 C ATOM 714 O TYR A 133 -2.339 5.049 8.174 1.00 0.18 O ATOM 715 CB TYR A 133 -2.184 2.070 6.826 1.00 0.16 C ATOM 716 CG TYR A 133 -0.709 2.412 6.828 1.00 0.17 C ATOM 717 CD1 TYR A 133 0.021 2.314 7.996 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.046 2.863 5.689 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.344 2.654 8.034 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.272 3.181 5.720 1.00 0.25 C ATOM 721 CZ TYR A 133 1.989 2.990 6.769 1.00 0.19 C ATOM 722 OH TYR A 133 3.285 3.430 6.928 1.00 0.27 O ATOM 0 H TYR A 133 -4.105 4.348 7.057 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.303 2.026 8.601 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.289 0.996 6.978 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.589 2.294 5.839 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.462 1.962 8.896 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.592 2.961 4.763 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.891 2.673 8.965 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.731 3.606 4.840 1.00 0.25 H new ATOM 0 HH TYR A 133 3.891 2.660 6.957 1.00 0.27 H new ATOM 732 N ARG A 134 -1.630 3.571 9.643 1.00 0.15 N ATOM 733 CA ARG A 134 -0.944 4.549 10.426 1.00 0.18 C ATOM 734 C ARG A 134 0.288 3.880 10.995 1.00 0.19 C ATOM 735 O ARG A 134 0.329 2.652 11.006 1.00 0.18 O ATOM 736 CB ARG A 134 -1.878 5.015 11.525 1.00 0.18 C ATOM 737 CG ARG A 134 -3.336 5.078 11.081 1.00 0.22 C ATOM 738 CD ARG A 134 -3.984 3.705 11.121 1.00 0.25 C ATOM 739 NE ARG A 134 -4.488 3.360 12.452 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.490 2.125 12.962 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.055 1.100 12.240 1.00 0.69 N ATOM 742 NH2 ARG A 134 -4.929 1.917 14.196 1.00 0.49 N ATOM 0 H ARG A 134 -1.557 2.618 9.998 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.645 5.418 9.840 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.792 4.341 12.377 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.565 6.002 11.866 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.886 5.761 11.728 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.394 5.480 10.070 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.806 3.674 10.406 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.258 2.955 10.805 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.863 4.113 13.029 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -3.717 1.253 11.290 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.059 0.160 12.635 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.265 2.700 14.756 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -4.930 0.974 14.585 1.00 0.49 H new ATOM 756 N GLN A 135 1.285 4.642 11.440 1.00 0.22 N ATOM 757 CA GLN A 135 2.533 4.035 11.891 1.00 0.25 C ATOM 758 C GLN A 135 2.302 2.961 12.902 1.00 0.24 C ATOM 759 O GLN A 135 1.289 2.929 13.609 1.00 0.30 O ATOM 760 CB GLN A 135 3.511 5.041 12.484 1.00 0.35 C ATOM 761 CG GLN A 135 3.456 5.132 14.000 1.00 0.88 C ATOM 762 CD GLN A 135 4.135 6.371 14.542 1.00 1.36 C ATOM 763 OE1 GLN A 135 3.506 7.412 14.724 1.00 1.87 O ATOM 764 NE2 GLN A 135 5.428 6.269 14.799 1.00 1.96 N ATOM 0 H GLN A 135 1.255 5.660 11.497 1.00 0.22 H new ATOM 0 HA GLN A 135 2.971 3.609 10.988 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.523 4.771 12.182 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.305 6.025 12.063 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.415 5.125 14.322 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.928 4.248 14.429 1.00 0.88 H new ATOM 0 HE21 GLN A 135 5.913 5.387 14.634 1.00 1.96 H new ATOM 0 HE22 GLN A 135 5.941 7.072 15.162 1.00 1.96 H new ATOM 773 N VAL A 136 3.283 2.110 12.999 1.00 0.23 N ATOM 774 CA VAL A 136 3.127 0.923 13.754 1.00 0.24 C ATOM 775 C VAL A 136 4.446 0.485 14.386 1.00 0.27 C ATOM 776 O VAL A 136 5.523 0.813 13.888 1.00 0.27 O ATOM 777 CB VAL A 136 2.536 -0.196 12.853 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.908 -1.583 13.325 1.00 0.23 C ATOM 779 CG2 VAL A 136 1.032 -0.076 12.742 1.00 0.20 C ATOM 0 H VAL A 136 4.196 2.226 12.560 1.00 0.23 H new ATOM 0 HA VAL A 136 2.433 1.120 14.571 1.00 0.24 H new ATOM 0 HB VAL A 136 2.979 -0.054 11.867 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.468 -2.324 12.658 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.993 -1.690 13.321 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.532 -1.736 14.337 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.649 -0.873 12.105 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.586 -0.158 13.733 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.775 0.890 12.308 1.00 0.20 H new ATOM 789 N SER A 137 4.346 -0.231 15.490 1.00 0.31 N ATOM 790 CA SER A 137 5.500 -0.836 16.130 1.00 0.35 C ATOM 791 C SER A 137 6.203 -1.799 15.205 1.00 0.33 C ATOM 792 O SER A 137 7.415 -1.727 14.983 1.00 0.35 O ATOM 793 CB SER A 137 4.995 -1.618 17.315 1.00 0.39 C ATOM 794 OG SER A 137 4.855 -0.800 18.463 1.00 0.73 O ATOM 0 H SER A 137 3.463 -0.410 15.969 1.00 0.31 H new ATOM 0 HA SER A 137 6.203 -0.053 16.413 1.00 0.35 H new ATOM 0 HB2 SER A 137 4.033 -2.069 17.070 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.684 -2.435 17.532 1.00 0.39 H new ATOM 0 HG SER A 137 4.524 -1.340 19.211 1.00 0.73 H new ATOM 800 N LYS A 138 5.408 -2.676 14.656 1.00 0.30 N ATOM 801 CA LYS A 138 5.866 -3.697 13.765 1.00 0.30 C ATOM 802 C LYS A 138 4.692 -4.178 12.968 1.00 0.27 C ATOM 803 O LYS A 138 3.709 -4.688 13.509 1.00 0.28 O ATOM 804 CB LYS A 138 6.474 -4.826 14.533 1.00 0.35 C ATOM 805 CG LYS A 138 5.577 -5.318 15.620 1.00 0.37 C ATOM 806 CD LYS A 138 6.125 -6.577 16.263 1.00 0.43 C ATOM 807 CE LYS A 138 6.332 -7.663 15.222 1.00 0.44 C ATOM 808 NZ LYS A 138 6.869 -8.911 15.816 1.00 0.51 N ATOM 0 H LYS A 138 4.402 -2.698 14.822 1.00 0.30 H new ATOM 0 HA LYS A 138 6.632 -3.298 13.100 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.700 -5.646 13.852 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.420 -4.501 14.965 1.00 0.35 H new ATOM 0 HG2 LYS A 138 5.461 -4.542 16.377 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.586 -5.517 15.213 1.00 0.37 H new ATOM 0 HD2 LYS A 138 7.070 -6.357 16.759 1.00 0.43 H new ATOM 0 HD3 LYS A 138 5.436 -6.929 17.031 1.00 0.43 H new ATOM 0 HE2 LYS A 138 5.384 -7.876 14.728 1.00 0.44 H new ATOM 0 HE3 LYS A 138 7.018 -7.303 14.455 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.995 -9.625 15.070 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.786 -8.715 16.265 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 6.203 -9.270 16.530 1.00 0.51 H new ATOM 822 N MET A 139 4.766 -3.976 11.697 1.00 0.25 N ATOM 823 CA MET A 139 3.606 -4.111 10.889 1.00 0.25 C ATOM 824 C MET A 139 3.359 -5.556 10.539 1.00 0.26 C ATOM 825 O MET A 139 4.134 -6.221 9.844 1.00 0.30 O ATOM 826 CB MET A 139 3.699 -3.218 9.663 1.00 0.33 C ATOM 827 CG MET A 139 4.075 -3.918 8.402 1.00 0.70 C ATOM 828 SD MET A 139 3.569 -3.020 6.948 1.00 2.16 S ATOM 829 CE MET A 139 3.842 -4.299 5.747 1.00 2.71 C ATOM 0 H MET A 139 5.616 -3.717 11.197 1.00 0.25 H new ATOM 0 HA MET A 139 2.740 -3.776 11.459 1.00 0.25 H new ATOM 0 HB2 MET A 139 2.737 -2.727 9.516 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.431 -2.434 9.858 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.155 -4.063 8.378 1.00 0.70 H new ATOM 0 HG3 MET A 139 3.620 -4.909 8.390 1.00 0.70 H new ATOM 0 HE1 MET A 139 4.156 -3.852 4.804 1.00 2.71 H new ATOM 0 HE2 MET A 139 4.619 -4.975 6.105 1.00 2.71 H new ATOM 0 HE3 MET A 139 2.918 -4.857 5.594 1.00 2.71 H new ATOM 839 N THR A 140 2.329 -6.066 11.140 1.00 0.25 N ATOM 840 CA THR A 140 1.731 -7.269 10.674 1.00 0.26 C ATOM 841 C THR A 140 0.312 -7.302 11.122 1.00 0.27 C ATOM 842 O THR A 140 -0.020 -7.770 12.208 1.00 0.30 O ATOM 843 CB THR A 140 2.507 -8.466 11.221 1.00 0.31 C ATOM 844 OG1 THR A 140 1.795 -9.693 10.996 1.00 0.35 O ATOM 845 CG2 THR A 140 2.788 -8.269 12.704 1.00 0.34 C ATOM 0 H THR A 140 1.884 -5.659 11.963 1.00 0.25 H new ATOM 0 HA THR A 140 1.758 -7.314 9.585 1.00 0.26 H new ATOM 0 HB THR A 140 3.456 -8.534 10.689 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.314 -10.443 11.354 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.341 -9.127 13.087 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.378 -7.364 12.845 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.846 -8.175 13.244 1.00 0.34 H new ATOM 853 N ARG A 141 -0.520 -6.864 10.216 1.00 0.25 N ATOM 854 CA ARG A 141 -1.943 -6.906 10.366 1.00 0.28 C ATOM 855 C ARG A 141 -2.546 -7.017 8.992 1.00 0.30 C ATOM 856 O ARG A 141 -1.846 -6.813 8.007 1.00 0.45 O ATOM 857 CB ARG A 141 -2.450 -5.625 11.031 1.00 0.30 C ATOM 858 CG ARG A 141 -1.579 -5.133 12.165 1.00 0.38 C ATOM 859 CD ARG A 141 -1.765 -6.015 13.359 1.00 1.01 C ATOM 860 NE ARG A 141 -1.388 -5.354 14.602 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.556 -5.877 15.499 1.00 1.74 C ATOM 862 NH1 ARG A 141 0.047 -7.037 15.257 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.312 -5.231 16.631 1.00 1.97 N ATOM 0 H ARG A 141 -0.215 -6.458 9.331 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.223 -7.755 10.990 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.524 -4.841 10.277 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.457 -5.799 11.410 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.533 -5.133 11.860 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.838 -4.104 12.416 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.808 -6.327 13.418 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.169 -6.919 13.236 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.786 -4.435 14.796 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.127 -7.529 14.381 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.684 -7.434 15.947 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.762 -4.334 16.813 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.326 -5.631 17.319 1.00 1.97 H new ATOM 877 N PRO A 142 -3.826 -7.321 8.867 1.00 0.36 N ATOM 878 CA PRO A 142 -4.509 -7.017 7.637 1.00 0.39 C ATOM 879 C PRO A 142 -4.904 -5.541 7.620 1.00 0.32 C ATOM 880 O PRO A 142 -5.746 -5.103 8.409 1.00 0.37 O ATOM 881 CB PRO A 142 -5.738 -7.921 7.681 1.00 0.53 C ATOM 882 CG PRO A 142 -6.002 -8.155 9.134 1.00 0.79 C ATOM 883 CD PRO A 142 -4.678 -8.021 9.845 1.00 0.55 C ATOM 0 HA PRO A 142 -3.906 -7.183 6.744 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.592 -7.448 7.197 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.555 -8.860 7.158 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.722 -7.432 9.517 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.429 -9.145 9.295 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.776 -7.453 10.770 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.266 -8.994 10.111 1.00 0.55 H new ATOM 891 N GLY A 143 -4.271 -4.773 6.745 1.00 0.27 N ATOM 892 CA GLY A 143 -4.677 -3.390 6.541 1.00 0.27 C ATOM 893 C GLY A 143 -4.084 -2.404 7.545 1.00 0.26 C ATOM 894 O GLY A 143 -4.619 -1.311 7.728 1.00 0.38 O ATOM 0 H GLY A 143 -3.485 -5.078 6.172 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.388 -3.084 5.536 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.764 -3.332 6.592 1.00 0.27 H new ATOM 898 N GLU A 144 -2.985 -2.776 8.194 1.00 0.17 N ATOM 899 CA GLU A 144 -2.268 -1.862 9.092 1.00 0.14 C ATOM 900 C GLU A 144 -0.794 -2.019 8.844 1.00 0.11 C ATOM 901 O GLU A 144 -0.284 -3.139 8.813 1.00 0.12 O ATOM 902 CB GLU A 144 -2.576 -2.153 10.555 1.00 0.18 C ATOM 903 CG GLU A 144 -4.051 -2.054 10.900 1.00 0.40 C ATOM 904 CD GLU A 144 -4.322 -2.330 12.358 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.102 -1.425 13.190 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.760 -3.452 12.680 1.00 1.44 O ATOM 0 H GLU A 144 -2.567 -3.703 8.118 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.591 -0.841 8.887 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.221 -3.154 10.799 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.018 -1.456 11.180 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.414 -1.057 10.648 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.612 -2.761 10.289 1.00 0.40 H new ATOM 913 N PHE A 145 -0.099 -0.911 8.685 1.00 0.10 N ATOM 914 CA PHE A 145 1.248 -0.975 8.155 1.00 0.10 C ATOM 915 C PHE A 145 2.186 -0.144 9.015 1.00 0.09 C ATOM 916 O PHE A 145 1.750 0.502 9.954 1.00 0.10 O ATOM 917 CB PHE A 145 1.307 -0.489 6.695 1.00 0.16 C ATOM 918 CG PHE A 145 0.163 -0.889 5.773 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.493 -2.097 5.903 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.232 -0.044 4.748 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.518 -2.451 5.045 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.256 -0.388 3.887 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.900 -1.594 4.037 1.00 0.27 C ATOM 0 H PHE A 145 -0.435 0.026 8.909 1.00 0.10 H new ATOM 0 HA PHE A 145 1.564 -2.018 8.174 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.366 0.599 6.705 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.236 -0.854 6.256 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.200 -2.778 6.689 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.271 0.903 4.620 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.019 -3.400 5.165 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.550 0.288 3.098 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.702 -1.868 3.367 1.00 0.27 H new ATOM 933 N THR A 146 3.470 -0.158 8.700 1.00 0.09 N ATOM 934 CA THR A 146 4.431 0.626 9.452 1.00 0.12 C ATOM 935 C THR A 146 5.012 1.743 8.623 1.00 0.12 C ATOM 936 O THR A 146 5.300 1.586 7.436 1.00 0.15 O ATOM 937 CB THR A 146 5.585 -0.222 9.994 1.00 0.15 C ATOM 938 OG1 THR A 146 6.071 -1.122 8.992 1.00 0.16 O ATOM 939 CG2 THR A 146 5.172 -0.991 11.218 1.00 0.19 C ATOM 0 H THR A 146 3.868 -0.700 7.933 1.00 0.09 H new ATOM 0 HA THR A 146 3.872 1.041 10.291 1.00 0.12 H new ATOM 0 HB THR A 146 6.387 0.461 10.273 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.424 -1.930 9.421 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.014 -1.583 11.577 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.859 -0.295 11.996 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.343 -1.654 10.969 1.00 0.19 H new ATOM 947 N VAL A 147 5.166 2.868 9.275 1.00 0.14 N ATOM 948 CA VAL A 147 5.698 4.070 8.662 1.00 0.15 C ATOM 949 C VAL A 147 7.185 4.233 8.980 1.00 0.23 C ATOM 950 O VAL A 147 7.612 3.965 10.102 1.00 0.29 O ATOM 951 CB VAL A 147 4.917 5.295 9.171 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.635 6.589 8.826 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.520 5.308 8.597 1.00 0.73 C ATOM 0 H VAL A 147 4.924 2.981 10.259 1.00 0.14 H new ATOM 0 HA VAL A 147 5.588 3.987 7.581 1.00 0.15 H new ATOM 0 HB VAL A 147 4.853 5.220 10.257 1.00 0.28 H new ATOM 0 HG11 VAL A 147 5.058 7.436 9.199 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.623 6.591 9.287 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.740 6.670 7.744 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.982 6.181 8.968 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.574 5.350 7.509 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.994 4.403 8.899 1.00 0.73 H new ATOM 963 N GLN A 148 7.972 4.659 7.993 1.00 0.37 N ATOM 964 CA GLN A 148 9.400 4.865 8.206 1.00 0.51 C ATOM 965 C GLN A 148 9.821 6.287 7.817 1.00 0.58 C ATOM 966 O GLN A 148 9.978 7.141 8.689 1.00 1.16 O ATOM 967 CB GLN A 148 10.212 3.825 7.434 1.00 0.57 C ATOM 968 CG GLN A 148 11.701 3.861 7.737 1.00 1.20 C ATOM 969 CD GLN A 148 12.474 2.814 6.964 1.00 1.71 C ATOM 970 OE1 GLN A 148 12.099 2.442 5.852 1.00 2.45 O ATOM 971 NE2 GLN A 148 13.556 2.332 7.547 1.00 2.15 N ATOM 0 H GLN A 148 7.648 4.866 7.048 1.00 0.37 H new ATOM 0 HA GLN A 148 9.604 4.740 9.270 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.827 2.832 7.666 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.064 3.982 6.366 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.094 4.849 7.497 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.855 3.707 8.805 1.00 1.20 H new ATOM 0 HE21 GLN A 148 13.831 2.668 8.470 1.00 2.15 H new ATOM 0 HE22 GLN A 148 14.117 1.623 7.075 1.00 2.15 H new ATOM 980 N ALA A 149 9.993 6.548 6.516 1.00 0.40 N ATOM 981 CA ALA A 149 10.422 7.873 6.047 1.00 0.39 C ATOM 982 C ALA A 149 10.394 7.969 4.523 1.00 0.31 C ATOM 983 O ALA A 149 9.455 8.510 3.945 1.00 0.37 O ATOM 984 CB ALA A 149 11.816 8.205 6.559 1.00 0.49 C ATOM 0 H ALA A 149 9.843 5.865 5.773 1.00 0.40 H new ATOM 0 HA ALA A 149 9.714 8.599 6.447 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.111 9.190 6.198 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.813 8.203 7.649 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.524 7.459 6.197 1.00 0.49 H new ATOM 990 N ASN A 150 11.437 7.456 3.877 1.00 0.26 N ATOM 991 CA ASN A 150 11.504 7.417 2.414 1.00 0.24 C ATOM 992 C ASN A 150 10.837 6.178 1.925 1.00 0.19 C ATOM 993 O ASN A 150 10.750 5.934 0.729 1.00 0.20 O ATOM 994 CB ASN A 150 12.931 7.354 1.916 1.00 0.28 C ATOM 995 CG ASN A 150 13.782 8.536 2.336 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.277 9.635 2.560 1.00 1.02 O ATOM 997 ND2 ASN A 150 15.082 8.317 2.443 1.00 1.00 N ATOM 0 H ASN A 150 12.253 7.059 4.344 1.00 0.26 H new ATOM 0 HA ASN A 150 11.022 8.324 2.049 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.393 6.438 2.283 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.923 7.293 0.828 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.706 9.075 2.720 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.461 7.390 2.248 1.00 1.00 H new ATOM 1004 N SER A 151 10.445 5.355 2.853 1.00 0.17 N ATOM 1005 CA SER A 151 9.710 4.178 2.525 1.00 0.20 C ATOM 1006 C SER A 151 8.671 3.917 3.602 1.00 0.20 C ATOM 1007 O SER A 151 8.880 4.242 4.772 1.00 0.27 O ATOM 1008 CB SER A 151 10.646 2.972 2.423 1.00 0.27 C ATOM 1009 OG SER A 151 11.761 3.252 1.595 1.00 0.94 O ATOM 0 H SER A 151 10.626 5.482 3.849 1.00 0.17 H new ATOM 0 HA SER A 151 9.221 4.327 1.562 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.991 2.692 3.418 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.099 2.118 2.023 1.00 0.27 H new ATOM 0 HG SER A 151 11.821 2.576 0.888 1.00 0.94 H new ATOM 1015 N ILE A 152 7.551 3.379 3.196 1.00 0.18 N ATOM 1016 CA ILE A 152 6.579 2.839 4.107 1.00 0.17 C ATOM 1017 C ILE A 152 6.635 1.328 3.971 1.00 0.17 C ATOM 1018 O ILE A 152 7.285 0.806 3.069 1.00 0.19 O ATOM 1019 CB ILE A 152 5.171 3.377 3.776 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.970 4.736 4.446 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.065 2.415 4.182 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.618 5.321 4.180 1.00 0.20 C ATOM 0 H ILE A 152 7.286 3.303 2.214 1.00 0.18 H new ATOM 0 HA ILE A 152 6.797 3.135 5.133 1.00 0.17 H new ATOM 0 HB ILE A 152 5.108 3.485 2.693 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.109 4.629 5.522 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.735 5.427 4.092 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.097 2.845 3.926 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.193 1.470 3.655 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.111 2.240 5.257 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.534 6.285 4.681 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.485 5.457 3.107 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.849 4.647 4.558 1.00 0.20 H new ATOM 1034 N GLU A 153 5.998 0.622 4.852 1.00 0.16 N ATOM 1035 CA GLU A 153 5.817 -0.780 4.654 1.00 0.14 C ATOM 1036 C GLU A 153 4.331 -1.007 4.527 1.00 0.23 C ATOM 1037 O GLU A 153 3.587 -0.400 5.271 1.00 0.56 O ATOM 1038 CB GLU A 153 6.365 -1.544 5.834 1.00 0.18 C ATOM 1039 CG GLU A 153 6.754 -2.956 5.484 1.00 0.27 C ATOM 1040 CD GLU A 153 7.457 -3.652 6.630 1.00 0.50 C ATOM 1041 OE1 GLU A 153 6.834 -4.519 7.283 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.640 -3.356 6.879 1.00 0.72 O ATOM 0 H GLU A 153 5.596 0.993 5.713 1.00 0.16 H new ATOM 0 HA GLU A 153 6.343 -1.126 3.764 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.235 -1.019 6.229 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.618 -1.564 6.627 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.863 -3.520 5.210 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.406 -2.946 4.611 1.00 0.27 H new ATOM 1049 N MET A 154 3.883 -1.816 3.587 1.00 0.13 N ATOM 1050 CA MET A 154 2.444 -2.040 3.446 1.00 0.13 C ATOM 1051 C MET A 154 2.096 -3.510 3.216 1.00 0.15 C ATOM 1052 O MET A 154 2.651 -4.165 2.337 1.00 0.18 O ATOM 1053 CB MET A 154 1.880 -1.140 2.323 1.00 0.19 C ATOM 1054 CG MET A 154 2.325 -1.501 0.905 1.00 0.94 C ATOM 1055 SD MET A 154 1.313 -2.782 0.123 1.00 0.73 S ATOM 1056 CE MET A 154 -0.324 -2.057 0.219 1.00 1.32 C ATOM 0 H MET A 154 4.470 -2.320 2.922 1.00 0.13 H new ATOM 0 HA MET A 154 1.972 -1.766 4.389 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.791 -1.177 2.364 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.172 -0.110 2.526 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.299 -0.604 0.287 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.361 -1.838 0.935 1.00 0.94 H new ATOM 0 HE1 MET A 154 -0.952 -2.472 -0.569 1.00 1.32 H new ATOM 0 HE2 MET A 154 -0.765 -2.281 1.190 1.00 1.32 H new ATOM 0 HE3 MET A 154 -0.251 -0.977 0.094 1.00 1.32 H new ATOM 1066 N ILE A 155 1.215 -4.042 4.068 1.00 0.16 N ATOM 1067 CA ILE A 155 0.706 -5.389 3.898 1.00 0.19 C ATOM 1068 C ILE A 155 -0.133 -5.474 2.634 1.00 0.27 C ATOM 1069 O ILE A 155 -0.896 -4.559 2.319 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.175 -5.860 5.079 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.236 -5.178 6.399 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.089 -7.383 5.197 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.050 -6.028 7.343 1.00 0.24 C ATOM 0 H ILE A 155 0.844 -3.552 4.882 1.00 0.16 H new ATOM 0 HA ILE A 155 1.582 -6.035 3.842 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.208 -5.572 4.882 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.807 -4.281 6.162 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.667 -4.854 6.917 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.709 -7.719 6.028 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.443 -7.840 4.273 1.00 0.25 H new ATOM 0 HG23 ILE A 155 0.946 -7.676 5.374 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.286 -5.453 8.239 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.478 -6.914 7.620 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.975 -6.332 6.853 1.00 0.24 H new ATOM 1297 N VAL A 169 0.266 -11.179 3.643 1.00 0.38 N ATOM 1298 CA VAL A 169 1.595 -10.937 3.136 1.00 0.32 C ATOM 1299 C VAL A 169 1.852 -9.470 3.167 1.00 0.26 C ATOM 1300 O VAL A 169 0.950 -8.695 2.937 1.00 0.29 O ATOM 1301 CB VAL A 169 1.730 -11.350 1.685 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.047 -10.827 1.147 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.606 -12.853 1.551 1.00 0.48 C ATOM 0 HA VAL A 169 2.288 -11.509 3.752 1.00 0.32 H new ATOM 0 HB VAL A 169 0.925 -10.917 1.091 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.155 -11.119 0.102 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.065 -9.740 1.224 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.869 -11.246 1.727 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.705 -13.134 0.503 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.391 -13.336 2.132 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.632 -13.172 1.922 1.00 0.48 H new ATOM 1313 N ARG A 170 3.077 -9.087 3.375 1.00 0.23 N ATOM 1314 CA ARG A 170 3.388 -7.694 3.414 1.00 0.20 C ATOM 1315 C ARG A 170 4.519 -7.309 2.504 1.00 0.19 C ATOM 1316 O ARG A 170 5.471 -8.059 2.284 1.00 0.25 O ATOM 1317 CB ARG A 170 3.631 -7.269 4.831 1.00 0.26 C ATOM 1318 CG ARG A 170 4.442 -8.267 5.608 1.00 0.23 C ATOM 1319 CD ARG A 170 5.924 -8.171 5.315 1.00 0.39 C ATOM 1320 NE ARG A 170 6.612 -7.253 6.215 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.621 -7.607 7.012 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.032 -8.870 7.067 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.212 -6.692 7.759 1.00 1.61 N ATOM 0 H ARG A 170 3.868 -9.714 3.519 1.00 0.23 H new ATOM 0 HA ARG A 170 2.524 -7.154 3.027 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.146 -6.308 4.834 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.673 -7.119 5.330 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.276 -8.113 6.674 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.094 -9.273 5.374 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.373 -9.161 5.398 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.067 -7.842 4.286 1.00 0.39 H new ATOM 0 HE ARG A 170 6.303 -6.281 6.236 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.575 -9.581 6.496 1.00 1.39 H new ATOM 0 HH12 ARG A 170 8.805 -9.129 7.680 1.00 1.39 H new ATOM 0 HH21 ARG A 170 7.896 -5.723 7.724 1.00 1.61 H new ATOM 0 HH22 ARG A 170 8.984 -6.955 8.371 1.00 1.61 H new ATOM 1337 N ALA A 171 4.364 -6.136 1.955 1.00 0.17 N ATOM 1338 CA ALA A 171 5.324 -5.582 1.046 1.00 0.16 C ATOM 1339 C ALA A 171 6.022 -4.389 1.667 1.00 0.16 C ATOM 1340 O ALA A 171 5.591 -3.866 2.692 1.00 0.20 O ATOM 1341 CB ALA A 171 4.641 -5.177 -0.247 1.00 0.16 C ATOM 0 H ALA A 171 3.560 -5.533 2.129 1.00 0.17 H new ATOM 0 HA ALA A 171 6.074 -6.342 0.828 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.378 -4.757 -0.932 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.178 -6.052 -0.704 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.875 -4.431 -0.036 1.00 0.16 H new ATOM 1347 N ARG A 172 7.086 -3.957 1.025 1.00 0.16 N ATOM 1348 CA ARG A 172 7.832 -2.815 1.481 1.00 0.18 C ATOM 1349 C ARG A 172 7.763 -1.780 0.397 1.00 0.18 C ATOM 1350 O ARG A 172 8.115 -2.027 -0.754 1.00 0.22 O ATOM 1351 CB ARG A 172 9.278 -3.159 1.854 1.00 0.24 C ATOM 1352 CG ARG A 172 10.139 -3.680 0.714 1.00 0.79 C ATOM 1353 CD ARG A 172 11.554 -3.961 1.192 1.00 1.08 C ATOM 1354 NE ARG A 172 12.413 -4.466 0.124 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.652 -4.912 0.317 1.00 2.59 C ATOM 1356 NH1 ARG A 172 14.190 -4.878 1.529 1.00 2.48 N ATOM 1357 NH2 ARG A 172 14.356 -5.384 -0.703 1.00 3.69 N ATOM 0 H ARG A 172 7.453 -4.388 0.177 1.00 0.16 H new ATOM 0 HA ARG A 172 7.393 -2.434 2.403 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.751 -2.268 2.266 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.263 -3.907 2.647 1.00 0.24 H new ATOM 0 HG2 ARG A 172 9.700 -4.591 0.308 1.00 0.79 H new ATOM 0 HG3 ARG A 172 10.162 -2.949 -0.094 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.985 -3.047 1.599 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.523 -4.688 2.004 1.00 1.08 H new ATOM 0 HE ARG A 172 12.041 -4.478 -0.826 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.654 -4.510 2.315 1.00 2.48 H new ATOM 0 HH12 ARG A 172 15.140 -5.220 1.675 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.948 -5.406 -1.638 1.00 3.69 H new ATOM 0 HH22 ARG A 172 15.305 -5.725 -0.553 1.00 3.69 H new ATOM 1371 N LEU A 173 7.264 -0.644 0.768 1.00 0.20 N ATOM 1372 CA LEU A 173 6.785 0.313 -0.178 1.00 0.24 C ATOM 1373 C LEU A 173 7.594 1.605 -0.086 1.00 0.25 C ATOM 1374 O LEU A 173 7.463 2.383 0.844 1.00 0.48 O ATOM 1375 CB LEU A 173 5.299 0.498 0.113 1.00 0.37 C ATOM 1376 CG LEU A 173 4.797 1.910 0.057 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.482 2.320 -1.350 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.621 2.087 0.995 1.00 0.54 C ATOM 0 H LEU A 173 7.177 -0.352 1.742 1.00 0.20 H new ATOM 0 HA LEU A 173 6.908 -0.022 -1.208 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.731 -0.099 -0.600 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.089 0.096 1.104 1.00 0.37 H new ATOM 0 HG LEU A 173 5.587 2.578 0.399 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.120 3.348 -1.357 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.382 2.248 -1.960 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.714 1.663 -1.757 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.267 3.117 0.944 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.817 1.412 0.702 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.932 1.860 2.015 1.00 0.54 H new ATOM 1390 N THR A 174 8.430 1.823 -1.072 1.00 0.17 N ATOM 1391 CA THR A 174 9.416 2.879 -1.013 1.00 0.15 C ATOM 1392 C THR A 174 9.053 4.050 -1.887 1.00 0.13 C ATOM 1393 O THR A 174 8.375 3.906 -2.897 1.00 0.12 O ATOM 1394 CB THR A 174 10.799 2.351 -1.401 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.251 1.380 -0.447 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.776 3.496 -1.477 1.00 0.20 C ATOM 0 H THR A 174 8.448 1.278 -1.934 1.00 0.17 H new ATOM 0 HA THR A 174 9.439 3.230 0.019 1.00 0.15 H new ATOM 0 HB THR A 174 10.732 1.870 -2.377 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.136 1.051 -0.710 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.760 3.117 -1.753 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.439 4.212 -2.226 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.836 3.988 -0.506 1.00 0.20 H new ATOM 1404 N PHE A 175 9.511 5.211 -1.458 1.00 0.16 N ATOM 1405 CA PHE A 175 9.255 6.451 -2.132 1.00 0.17 C ATOM 1406 C PHE A 175 10.529 7.099 -2.682 1.00 0.19 C ATOM 1407 O PHE A 175 11.306 7.671 -1.923 1.00 0.32 O ATOM 1408 CB PHE A 175 8.656 7.394 -1.128 1.00 0.30 C ATOM 1409 CG PHE A 175 7.623 6.760 -0.272 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.427 6.334 -0.804 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.858 6.580 1.070 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.476 5.743 -0.014 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.913 5.987 1.865 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.717 5.569 1.323 1.00 0.15 C ATOM 0 H PHE A 175 10.080 5.311 -0.617 1.00 0.16 H new ATOM 0 HA PHE A 175 8.594 6.249 -2.975 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.449 7.791 -0.495 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.213 8.240 -1.653 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.236 6.467 -1.858 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.793 6.908 1.500 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.541 5.416 -0.444 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.106 5.847 2.918 1.00 0.22 H new ATOM 0 HZ PHE A 175 4.971 5.105 1.951 1.00 0.15 H new ATOM 1424 N ASP A 176 10.716 7.057 -3.992 1.00 0.16 N ATOM 1425 CA ASP A 176 11.906 7.652 -4.616 1.00 0.20 C ATOM 1426 C ASP A 176 11.617 9.061 -5.120 1.00 0.19 C ATOM 1427 O ASP A 176 10.973 9.242 -6.146 1.00 0.20 O ATOM 1428 CB ASP A 176 12.400 6.792 -5.783 1.00 0.29 C ATOM 1429 CG ASP A 176 13.640 7.364 -6.444 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.542 7.858 -7.587 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.720 7.323 -5.823 1.00 0.68 O ATOM 0 H ASP A 176 10.067 6.621 -4.648 1.00 0.16 H new ATOM 0 HA ASP A 176 12.681 7.700 -3.851 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.616 5.786 -5.423 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.606 6.701 -6.525 1.00 0.29 H new ATOM 1436 N GLY A 177 12.075 10.056 -4.390 1.00 0.21 N ATOM 1437 CA GLY A 177 11.939 11.425 -4.852 1.00 0.23 C ATOM 1438 C GLY A 177 10.569 11.991 -4.589 1.00 0.23 C ATOM 1439 O GLY A 177 10.137 12.080 -3.439 1.00 0.27 O ATOM 0 H GLY A 177 12.538 9.948 -3.488 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.686 12.047 -4.359 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.146 11.466 -5.921 1.00 0.23 H new ATOM 1443 N ASP A 178 9.877 12.352 -5.657 1.00 0.22 N ATOM 1444 CA ASP A 178 8.534 12.892 -5.554 1.00 0.26 C ATOM 1445 C ASP A 178 7.617 11.866 -6.132 1.00 0.23 C ATOM 1446 O ASP A 178 6.451 12.127 -6.397 1.00 0.25 O ATOM 1447 CB ASP A 178 8.375 14.186 -6.345 1.00 0.34 C ATOM 1448 CG ASP A 178 7.273 15.075 -5.796 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.560 15.890 -4.894 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.122 14.987 -6.278 1.00 1.34 O ATOM 0 H ASP A 178 10.228 12.279 -6.612 1.00 0.22 H new ATOM 0 HA ASP A 178 8.313 13.117 -4.511 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.318 14.733 -6.333 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.159 13.947 -7.386 1.00 0.34 H new ATOM 1455 N HIS A 179 8.171 10.681 -6.326 1.00 0.19 N ATOM 1456 CA HIS A 179 7.426 9.584 -6.872 1.00 0.17 C ATOM 1457 C HIS A 179 7.651 8.315 -6.092 1.00 0.13 C ATOM 1458 O HIS A 179 8.601 8.187 -5.330 1.00 0.13 O ATOM 1459 CB HIS A 179 7.789 9.379 -8.349 1.00 0.22 C ATOM 1460 CG HIS A 179 9.143 8.781 -8.621 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.382 7.424 -8.626 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.330 9.365 -8.914 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.649 7.202 -8.908 1.00 1.05 C ATOM 1464 NE2 HIS A 179 11.251 8.362 -9.086 1.00 0.45 N ATOM 0 H HIS A 179 9.143 10.464 -6.108 1.00 0.19 H new ATOM 0 HA HIS A 179 6.367 9.831 -6.797 1.00 0.17 H new ATOM 0 HB2 HIS A 179 7.033 8.737 -8.802 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.732 10.344 -8.853 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.685 6.703 -8.440 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.517 10.425 -8.997 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.117 6.232 -8.981 1.00 1.05 H new ATOM 0 HE2 HIS A 179 12.237 8.492 -9.314 1.00 0.45 H new ATOM 1473 N LEU A 180 6.734 7.388 -6.273 1.00 0.13 N ATOM 1474 CA LEU A 180 6.845 6.091 -5.645 1.00 0.12 C ATOM 1475 C LEU A 180 7.975 5.313 -6.248 1.00 0.14 C ATOM 1476 O LEU A 180 8.156 5.279 -7.465 1.00 0.22 O ATOM 1477 CB LEU A 180 5.547 5.313 -5.803 1.00 0.17 C ATOM 1478 CG LEU A 180 5.310 4.273 -4.729 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.638 4.867 -3.387 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.874 3.814 -4.760 1.00 0.20 C ATOM 0 H LEU A 180 5.903 7.510 -6.851 1.00 0.13 H new ATOM 0 HA LEU A 180 7.043 6.241 -4.584 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.714 6.015 -5.802 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.548 4.821 -6.775 1.00 0.17 H new ATOM 0 HG LEU A 180 5.951 3.410 -4.909 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.469 4.123 -2.609 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.683 5.177 -3.372 1.00 0.14 H new ATOM 0 HD13 LEU A 180 5.000 5.732 -3.206 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.714 3.066 -3.983 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.216 4.665 -4.585 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.652 3.379 -5.734 1.00 0.20 H new ATOM 1492 N ALA A 181 8.739 4.704 -5.372 1.00 0.12 N ATOM 1493 CA ALA A 181 9.888 3.961 -5.765 1.00 0.13 C ATOM 1494 C ALA A 181 9.515 2.542 -6.131 1.00 0.14 C ATOM 1495 O ALA A 181 9.876 2.038 -7.196 1.00 0.15 O ATOM 1496 CB ALA A 181 10.867 3.964 -4.628 1.00 0.13 C ATOM 0 H ALA A 181 8.571 4.717 -4.366 1.00 0.12 H new ATOM 0 HA ALA A 181 10.334 4.422 -6.646 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.755 3.399 -4.911 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.150 4.990 -4.394 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.409 3.505 -3.752 1.00 0.13 H new ATOM 1502 N THR A 182 8.783 1.904 -5.230 1.00 0.15 N ATOM 1503 CA THR A 182 8.385 0.526 -5.408 1.00 0.18 C ATOM 1504 C THR A 182 7.542 0.059 -4.246 1.00 0.17 C ATOM 1505 O THR A 182 7.331 0.780 -3.275 1.00 0.16 O ATOM 1506 CB THR A 182 9.601 -0.412 -5.490 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.221 -1.690 -6.019 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.196 -0.579 -4.103 1.00 0.24 C ATOM 0 H THR A 182 8.453 2.328 -4.363 1.00 0.15 H new ATOM 0 HA THR A 182 7.821 0.488 -6.340 1.00 0.18 H new ATOM 0 HB THR A 182 10.343 0.025 -6.158 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.008 -2.272 -6.065 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.059 -1.243 -4.155 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.509 0.393 -3.722 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.448 -1.007 -3.435 1.00 0.24 H new ATOM 1516 N ILE A 183 7.098 -1.169 -4.378 1.00 0.20 N ATOM 1517 CA ILE A 183 6.376 -1.888 -3.366 1.00 0.18 C ATOM 1518 C ILE A 183 6.701 -3.352 -3.565 1.00 0.20 C ATOM 1519 O ILE A 183 6.499 -3.881 -4.652 1.00 0.28 O ATOM 1520 CB ILE A 183 4.870 -1.680 -3.500 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.529 -0.278 -3.072 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.111 -2.700 -2.685 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.334 0.674 -4.213 1.00 0.20 C ATOM 0 H ILE A 183 7.238 -1.712 -5.230 1.00 0.20 H new ATOM 0 HA ILE A 183 6.664 -1.534 -2.376 1.00 0.18 H new ATOM 0 HB ILE A 183 4.576 -1.817 -4.541 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.619 -0.303 -2.472 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.324 0.099 -2.429 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.040 -2.531 -2.797 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.359 -3.702 -3.035 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.386 -2.604 -1.635 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.091 1.663 -3.824 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.250 0.730 -4.801 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.518 0.322 -4.845 1.00 0.20 H new ATOM 1535 N VAL A 184 7.246 -3.996 -2.563 1.00 0.21 N ATOM 1536 CA VAL A 184 7.748 -5.342 -2.746 1.00 0.24 C ATOM 1537 C VAL A 184 7.276 -6.285 -1.673 1.00 0.23 C ATOM 1538 O VAL A 184 7.559 -6.059 -0.506 1.00 0.22 O ATOM 1539 CB VAL A 184 9.273 -5.343 -2.716 1.00 0.29 C ATOM 1540 CG1 VAL A 184 9.799 -6.757 -2.739 1.00 0.33 C ATOM 1541 CG2 VAL A 184 9.823 -4.528 -3.868 1.00 0.34 C ATOM 0 H VAL A 184 7.354 -3.619 -1.622 1.00 0.21 H new ATOM 0 HA VAL A 184 7.367 -5.681 -3.710 1.00 0.24 H new ATOM 0 HB VAL A 184 9.609 -4.879 -1.789 1.00 0.29 H new ATOM 0 HG11 VAL A 184 10.889 -6.740 -2.717 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.427 -7.298 -1.869 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.462 -7.256 -3.648 1.00 0.33 H new ATOM 0 HG21 VAL A 184 10.912 -4.538 -3.833 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.486 -4.958 -4.811 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.467 -3.501 -3.790 1.00 0.34 H new ATOM 1551 N ASN A 185 6.600 -7.359 -2.072 1.00 0.29 N ATOM 1552 CA ASN A 185 6.255 -8.420 -1.135 1.00 0.32 C ATOM 1553 C ASN A 185 7.528 -8.956 -0.553 1.00 0.33 C ATOM 1554 O ASN A 185 8.223 -9.765 -1.153 1.00 0.40 O ATOM 1555 CB ASN A 185 5.466 -9.547 -1.815 1.00 0.44 C ATOM 1556 CG ASN A 185 4.087 -9.117 -2.273 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.859 -7.954 -2.594 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.159 -10.060 -2.316 1.00 1.57 N ATOM 0 H ASN A 185 6.283 -7.516 -3.029 1.00 0.29 H new ATOM 0 HA ASN A 185 5.614 -8.012 -0.353 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.030 -9.910 -2.674 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.368 -10.383 -1.122 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.214 -9.832 -2.624 1.00 1.57 H new ATOM 0 HD22 ASN A 185 3.389 -11.015 -2.041 1.00 1.57 H new ATOM 1565 N MET A 186 7.789 -8.459 0.631 1.00 0.31 N ATOM 1566 CA MET A 186 9.033 -8.614 1.351 1.00 0.36 C ATOM 1567 C MET A 186 9.405 -10.045 1.529 1.00 0.43 C ATOM 1568 O MET A 186 10.574 -10.393 1.711 1.00 0.53 O ATOM 1569 CB MET A 186 8.853 -7.955 2.696 1.00 0.36 C ATOM 1570 CG MET A 186 8.647 -6.459 2.611 1.00 0.34 C ATOM 1571 SD MET A 186 8.647 -5.659 4.223 1.00 0.94 S ATOM 1572 CE MET A 186 10.319 -5.991 4.770 1.00 1.42 C ATOM 0 H MET A 186 7.105 -7.906 1.147 1.00 0.31 H new ATOM 0 HA MET A 186 9.841 -8.153 0.783 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.997 -8.404 3.200 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.729 -8.159 3.312 1.00 0.36 H new ATOM 0 HG2 MET A 186 9.434 -6.023 1.995 1.00 0.34 H new ATOM 0 HG3 MET A 186 7.701 -6.256 2.110 1.00 0.34 H new ATOM 0 HE1 MET A 186 10.610 -5.254 5.518 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.368 -6.989 5.206 1.00 1.42 H new ATOM 0 HE3 MET A 186 10.998 -5.933 3.920 1.00 1.42 H new ATOM 1582 N GLU A 187 8.405 -10.864 1.457 1.00 0.43 N ATOM 1583 CA GLU A 187 8.566 -12.250 1.655 1.00 0.51 C ATOM 1584 C GLU A 187 9.394 -12.849 0.553 1.00 0.59 C ATOM 1585 O GLU A 187 10.317 -13.623 0.784 1.00 0.68 O ATOM 1586 CB GLU A 187 7.200 -12.874 1.700 1.00 0.50 C ATOM 1587 CG GLU A 187 6.196 -11.972 2.378 1.00 0.42 C ATOM 1588 CD GLU A 187 5.213 -12.720 3.252 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.925 -12.241 4.368 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.732 -13.792 2.835 1.00 0.67 O ATOM 0 H GLU A 187 7.447 -10.576 1.256 1.00 0.43 H new ATOM 0 HA GLU A 187 9.091 -12.438 2.592 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.866 -13.093 0.686 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.252 -13.825 2.230 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.728 -11.240 2.986 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.646 -11.416 1.618 1.00 0.42 H new ATOM 1597 N ASN A 188 9.056 -12.463 -0.645 1.00 0.58 N ATOM 1598 CA ASN A 188 9.748 -12.963 -1.817 1.00 0.67 C ATOM 1599 C ASN A 188 10.689 -11.926 -2.396 1.00 0.64 C ATOM 1600 O ASN A 188 11.617 -12.283 -3.118 1.00 0.74 O ATOM 1601 CB ASN A 188 8.750 -13.430 -2.879 1.00 0.73 C ATOM 1602 CG ASN A 188 7.791 -14.481 -2.355 1.00 1.45 C ATOM 1603 OD1 ASN A 188 6.694 -14.161 -1.894 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.196 -15.739 -2.413 1.00 1.95 N ATOM 0 H ASN A 188 8.305 -11.802 -0.844 1.00 0.58 H new ATOM 0 HA ASN A 188 10.348 -13.817 -1.501 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.182 -12.573 -3.240 1.00 0.73 H new ATOM 0 HB3 ASN A 188 9.295 -13.834 -3.732 1.00 0.73 H new ATOM 0 HD21 ASN A 188 7.592 -16.486 -2.069 1.00 1.95 H new ATOM 0 HD22 ASN A 188 9.112 -15.962 -2.802 1.00 1.95 H new ATOM 1611 N ASN A 189 10.458 -10.654 -2.055 1.00 0.53 N ATOM 1612 CA ASN A 189 11.322 -9.542 -2.434 1.00 0.52 C ATOM 1613 C ASN A 189 11.932 -9.688 -3.836 1.00 0.61 C ATOM 1614 O ASN A 189 13.121 -9.455 -4.055 1.00 0.71 O ATOM 1615 CB ASN A 189 12.368 -9.333 -1.340 1.00 0.59 C ATOM 1616 CG ASN A 189 13.427 -10.422 -1.251 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.482 -10.336 -1.876 1.00 1.80 O ATOM 1618 ND2 ASN A 189 13.164 -11.439 -0.445 1.00 1.74 N ATOM 0 H ASN A 189 9.652 -10.368 -1.499 1.00 0.53 H new ATOM 0 HA ASN A 189 10.711 -8.642 -2.513 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.864 -8.377 -1.509 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.859 -9.262 -0.379 1.00 0.59 H new ATOM 0 HD21 ASN A 189 13.848 -12.186 -0.326 1.00 1.74 H new ATOM 0 HD22 ASN A 189 12.277 -11.476 0.057 1.00 1.74 H new