USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot -123:sc= 0.107 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.961 USER MOD Set 2.1: A 139 MET CE :methyl -163:sc= -0.795 (180deg=-0.991) USER MOD Set 2.2: A 146 THR OG1 : rot 124:sc= -1.65 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.0215 K(o=-0.021,f=-2.3) USER MOD Single : A 124 MET CE :methyl 150:sc= 0 (180deg=-1.01) USER MOD Single : A 126 LYS NZ :NH3+ -113:sc= -0.747 (180deg=-2.41!) USER MOD Single : A 131 THR OG1 : rot -31:sc= 0.162 USER MOD Single : A 132 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.082) USER MOD Single : A 133 TYR OH : rot 61:sc= -5.23! 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 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.019) USER MOD Single : A 150 ASN : amide:sc= -0.0752 K(o=-0.075,f=-1.2) USER MOD Single : A 154 MET CE :methyl 179:sc= -0.578 (180deg=-0.596) USER MOD Single : A 179 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 185 ASN : amide:sc= -0.0952 K(o=-0.095,f=-2.6!) USER MOD Single : A 186 MET CE :methyl 153:sc= -2.36! (180deg=-4.16!) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.206 8.259 -8.264 1.00 0.27 N ATOM 468 CA THR A 118 4.250 9.230 -8.065 1.00 0.26 C ATOM 469 C THR A 118 3.898 10.084 -6.878 1.00 0.25 C ATOM 470 O THR A 118 3.010 10.932 -6.939 1.00 0.32 O ATOM 471 CB THR A 118 4.463 10.091 -9.316 1.00 0.30 C ATOM 472 OG1 THR A 118 5.140 9.335 -10.331 1.00 0.32 O ATOM 473 CG2 THR A 118 5.223 11.386 -9.027 1.00 0.32 C ATOM 0 HA THR A 118 5.189 8.710 -7.876 1.00 0.26 H new ATOM 0 HB THR A 118 3.473 10.379 -9.671 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.269 9.895 -11.125 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.342 11.952 -9.951 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.664 11.983 -8.306 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.205 11.148 -8.618 1.00 0.32 H new ATOM 481 N ILE A 119 4.553 9.798 -5.778 1.00 0.19 N ATOM 482 CA ILE A 119 4.274 10.457 -4.547 1.00 0.18 C ATOM 483 C ILE A 119 5.560 10.868 -3.862 1.00 0.19 C ATOM 484 O ILE A 119 6.637 10.385 -4.172 1.00 0.20 O ATOM 485 CB ILE A 119 3.598 9.512 -3.585 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.645 8.636 -2.997 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.562 8.667 -4.218 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.176 8.050 -1.761 1.00 0.17 C ATOM 0 H ILE A 119 5.294 9.099 -5.723 1.00 0.19 H new ATOM 0 HA ILE A 119 3.647 11.316 -4.784 1.00 0.18 H new ATOM 0 HB ILE A 119 3.089 10.113 -2.831 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.908 7.849 -3.703 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.550 9.214 -2.812 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.118 8.012 -3.468 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.788 9.302 -4.649 1.00 0.19 H new ATOM 0 HG23 ILE A 119 3.015 8.063 -5.004 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.954 7.411 -1.343 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.936 8.842 -1.051 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.284 7.455 -1.956 1.00 0.17 H new ATOM 500 N SER A 120 5.406 11.615 -2.823 1.00 0.21 N ATOM 501 CA SER A 120 6.541 12.154 -2.118 1.00 0.28 C ATOM 502 C SER A 120 6.516 11.645 -0.690 1.00 0.28 C ATOM 503 O SER A 120 5.555 10.985 -0.288 1.00 0.25 O ATOM 504 CB SER A 120 6.526 13.686 -2.158 1.00 0.36 C ATOM 505 OG SER A 120 7.739 14.227 -1.657 1.00 1.29 O ATOM 0 H SER A 120 4.500 11.874 -2.432 1.00 0.21 H new ATOM 0 HA SER A 120 7.462 11.826 -2.600 1.00 0.28 H new ATOM 0 HB2 SER A 120 6.371 14.024 -3.183 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.688 14.059 -1.569 1.00 0.36 H new ATOM 0 HG SER A 120 7.702 15.206 -1.696 1.00 1.29 H new ATOM 511 N LYS A 121 7.555 11.944 0.062 1.00 0.35 N ATOM 512 CA LYS A 121 7.652 11.491 1.448 1.00 0.40 C ATOM 513 C LYS A 121 6.400 11.870 2.237 1.00 0.36 C ATOM 514 O LYS A 121 5.833 11.048 2.958 1.00 0.38 O ATOM 515 CB LYS A 121 8.894 12.082 2.114 1.00 0.50 C ATOM 516 CG LYS A 121 10.201 11.636 1.476 1.00 1.34 C ATOM 517 CD LYS A 121 11.393 12.379 2.061 1.00 1.71 C ATOM 518 CE LYS A 121 11.521 12.155 3.561 1.00 2.46 C ATOM 519 NZ LYS A 121 12.690 12.874 4.130 1.00 3.26 N ATOM 0 H LYS A 121 8.349 12.499 -0.257 1.00 0.35 H new ATOM 0 HA LYS A 121 7.736 10.404 1.444 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.834 13.170 2.075 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.899 11.801 3.167 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.331 10.564 1.624 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.158 11.806 0.400 1.00 1.34 H new ATOM 0 HD2 LYS A 121 12.306 12.048 1.565 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.290 13.445 1.861 1.00 1.71 H new ATOM 0 HE2 LYS A 121 10.611 12.492 4.057 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.618 11.088 3.762 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 12.742 12.696 5.153 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 13.561 12.535 3.675 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 12.586 13.895 3.961 1.00 3.26 H new ATOM 533 N ASN A 122 5.946 13.103 2.066 1.00 0.37 N ATOM 534 CA ASN A 122 4.784 13.589 2.782 1.00 0.37 C ATOM 535 C ASN A 122 3.516 13.160 2.079 1.00 0.30 C ATOM 536 O ASN A 122 2.440 13.142 2.679 1.00 0.29 O ATOM 537 CB ASN A 122 4.823 15.112 2.897 1.00 0.48 C ATOM 538 CG ASN A 122 3.872 15.654 3.949 1.00 1.22 C ATOM 539 OD1 ASN A 122 3.592 14.997 4.951 1.00 2.17 O ATOM 540 ND2 ASN A 122 3.374 16.860 3.732 1.00 1.64 N ATOM 0 H ASN A 122 6.369 13.784 1.435 1.00 0.37 H new ATOM 0 HA ASN A 122 4.797 13.161 3.784 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.839 15.426 3.137 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.574 15.550 1.930 1.00 0.48 H new ATOM 0 HD21 ASN A 122 2.734 17.277 4.408 1.00 1.64 H new ATOM 0 HD22 ASN A 122 3.630 17.373 2.889 1.00 1.64 H new ATOM 547 N GLU A 123 3.637 12.786 0.808 1.00 0.27 N ATOM 548 CA GLU A 123 2.489 12.394 0.060 1.00 0.25 C ATOM 549 C GLU A 123 1.985 11.073 0.525 1.00 0.21 C ATOM 550 O GLU A 123 0.827 10.777 0.407 1.00 0.26 O ATOM 551 CB GLU A 123 2.735 12.373 -1.421 1.00 0.27 C ATOM 552 CG GLU A 123 1.889 13.388 -2.134 1.00 0.30 C ATOM 553 CD GLU A 123 1.944 13.262 -3.640 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.042 13.434 -4.213 1.00 0.45 O ATOM 555 OE2 GLU A 123 0.895 12.991 -4.254 1.00 0.50 O ATOM 0 H GLU A 123 4.518 12.752 0.295 1.00 0.27 H new ATOM 0 HA GLU A 123 1.726 13.152 0.240 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.788 12.572 -1.619 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.520 11.379 -1.813 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.855 13.284 -1.805 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.215 14.388 -1.848 1.00 0.30 H new ATOM 562 N MET A 124 2.834 10.281 1.079 1.00 0.19 N ATOM 563 CA MET A 124 2.352 9.035 1.605 1.00 0.20 C ATOM 564 C MET A 124 1.919 9.226 3.029 1.00 0.17 C ATOM 565 O MET A 124 1.070 8.506 3.535 1.00 0.16 O ATOM 566 CB MET A 124 3.357 7.915 1.489 1.00 0.27 C ATOM 567 CG MET A 124 2.686 6.557 1.346 1.00 1.21 C ATOM 568 SD MET A 124 1.622 6.456 -0.107 1.00 2.28 S ATOM 569 CE MET A 124 0.918 4.823 0.097 1.00 3.06 C ATOM 0 H MET A 124 3.834 10.456 1.182 1.00 0.19 H new ATOM 0 HA MET A 124 1.498 8.732 0.999 1.00 0.20 H new ATOM 0 HB2 MET A 124 4.000 8.094 0.627 1.00 0.27 H new ATOM 0 HB3 MET A 124 3.998 7.911 2.370 1.00 0.27 H new ATOM 0 HG2 MET A 124 3.451 5.783 1.286 1.00 1.21 H new ATOM 0 HG3 MET A 124 2.095 6.352 2.239 1.00 1.21 H new ATOM 0 HE1 MET A 124 -0.080 4.800 -0.341 1.00 3.06 H new ATOM 0 HE2 MET A 124 1.551 4.089 -0.402 1.00 3.06 H new ATOM 0 HE3 MET A 124 0.853 4.585 1.159 1.00 3.06 H new ATOM 579 N VAL A 125 2.497 10.233 3.648 1.00 0.20 N ATOM 580 CA VAL A 125 2.204 10.573 5.022 1.00 0.22 C ATOM 581 C VAL A 125 0.745 10.913 5.218 1.00 0.21 C ATOM 582 O VAL A 125 0.180 10.731 6.286 1.00 0.23 O ATOM 583 CB VAL A 125 3.069 11.750 5.464 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.366 12.563 6.534 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.415 11.241 5.940 1.00 0.32 C ATOM 0 H VAL A 125 3.187 10.842 3.209 1.00 0.20 H new ATOM 0 HA VAL A 125 2.429 9.699 5.632 1.00 0.22 H new ATOM 0 HB VAL A 125 3.234 12.414 4.615 1.00 0.29 H new ATOM 0 HG11 VAL A 125 3.001 13.397 6.834 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.425 12.947 6.140 1.00 0.35 H new ATOM 0 HG13 VAL A 125 2.166 11.930 7.399 1.00 0.35 H new ATOM 0 HG21 VAL A 125 5.032 12.083 6.255 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.271 10.562 6.780 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.912 10.712 5.127 1.00 0.32 H new ATOM 595 N LYS A 126 0.170 11.468 4.203 1.00 0.20 N ATOM 596 CA LYS A 126 -1.257 11.658 4.161 1.00 0.20 C ATOM 597 C LYS A 126 -1.949 10.373 3.762 1.00 0.16 C ATOM 598 O LYS A 126 -2.990 10.047 4.295 1.00 0.19 O ATOM 599 CB LYS A 126 -1.559 12.719 3.147 1.00 0.24 C ATOM 600 CG LYS A 126 -1.056 12.293 1.793 1.00 0.32 C ATOM 601 CD LYS A 126 -0.231 13.301 1.058 1.00 0.39 C ATOM 602 CE LYS A 126 -0.907 14.646 0.911 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.603 15.579 2.030 1.00 1.51 N ATOM 0 H LYS A 126 0.667 11.804 3.378 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.616 11.953 5.147 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.633 12.899 3.105 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.090 13.658 3.440 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.464 11.386 1.915 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.914 12.032 1.173 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.716 13.435 1.582 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.005 12.912 0.067 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.595 15.102 -0.029 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.985 14.499 0.851 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.468 15.754 2.581 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 0.121 15.158 2.647 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.249 16.478 1.646 1.00 1.51 H new ATOM 617 N LEU A 127 -1.361 9.658 2.815 1.00 0.15 N ATOM 618 CA LEU A 127 -1.953 8.465 2.266 1.00 0.19 C ATOM 619 C LEU A 127 -2.153 7.385 3.250 1.00 0.20 C ATOM 620 O LEU A 127 -3.150 6.718 3.146 1.00 0.24 O ATOM 621 CB LEU A 127 -1.178 7.959 1.100 1.00 0.25 C ATOM 622 CG LEU A 127 -1.750 8.470 -0.207 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.685 9.115 -1.090 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.490 7.357 -0.910 1.00 0.40 C ATOM 0 H LEU A 127 -0.456 9.897 2.409 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.946 8.770 1.935 1.00 0.19 H new ATOM 0 HB2 LEU A 127 -0.137 8.270 1.190 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -1.186 6.869 1.101 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.463 9.264 0.014 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -1.143 9.466 -2.015 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.238 9.958 -0.564 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.087 8.382 -1.323 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.900 7.729 -1.849 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.803 6.535 -1.114 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -3.302 7.002 -0.275 1.00 0.40 H new ATOM 636 N LEU A 128 -1.270 7.174 4.204 1.00 0.18 N ATOM 637 CA LEU A 128 -1.599 6.158 5.155 1.00 0.24 C ATOM 638 C LEU A 128 -2.866 6.580 5.918 1.00 0.26 C ATOM 639 O LEU A 128 -3.778 5.783 6.123 1.00 0.32 O ATOM 640 CB LEU A 128 -0.432 5.726 6.090 1.00 0.28 C ATOM 641 CG LEU A 128 0.470 6.781 6.713 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.691 6.969 5.887 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.225 8.067 6.847 1.00 0.21 C ATOM 0 H LEU A 128 -0.382 7.659 4.332 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.801 5.244 4.597 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.866 5.147 6.905 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.205 5.048 5.522 1.00 0.28 H new ATOM 0 HG LEU A 128 0.748 6.430 7.707 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.327 7.727 6.345 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.236 6.027 5.824 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.407 7.291 4.885 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.447 8.799 7.295 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.537 8.416 5.863 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.102 7.942 7.483 1.00 0.21 H new ATOM 655 N GLU A 129 -2.955 7.869 6.222 1.00 0.23 N ATOM 656 CA GLU A 129 -4.106 8.444 6.898 1.00 0.28 C ATOM 657 C GLU A 129 -5.298 8.325 5.979 1.00 0.25 C ATOM 658 O GLU A 129 -6.450 8.208 6.394 1.00 0.31 O ATOM 659 CB GLU A 129 -3.856 9.929 7.146 1.00 0.32 C ATOM 660 CG GLU A 129 -2.464 10.231 7.643 1.00 0.44 C ATOM 661 CD GLU A 129 -2.245 11.707 7.908 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.544 12.530 7.019 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.763 12.055 9.006 1.00 2.23 O ATOM 0 H GLU A 129 -2.225 8.547 6.004 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.278 7.927 7.842 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.030 10.478 6.220 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.580 10.294 7.874 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.280 9.670 8.560 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.737 9.886 6.907 1.00 0.44 H new ATOM 670 N ALA A 130 -4.957 8.346 4.709 1.00 0.21 N ATOM 671 CA ALA A 130 -5.896 8.458 3.641 1.00 0.25 C ATOM 672 C ALA A 130 -6.288 7.079 3.118 1.00 0.28 C ATOM 673 O ALA A 130 -7.178 6.947 2.280 1.00 0.33 O ATOM 674 CB ALA A 130 -5.258 9.299 2.537 1.00 0.26 C ATOM 0 H ALA A 130 -3.989 8.283 4.394 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.808 8.939 3.994 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.957 9.400 1.707 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -5.013 10.287 2.928 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.348 8.811 2.188 1.00 0.26 H new ATOM 680 N THR A 131 -5.608 6.055 3.627 1.00 0.26 N ATOM 681 CA THR A 131 -5.758 4.703 3.129 1.00 0.29 C ATOM 682 C THR A 131 -6.176 3.784 4.268 1.00 0.29 C ATOM 683 O THR A 131 -6.343 2.573 4.100 1.00 0.33 O ATOM 684 CB THR A 131 -4.449 4.213 2.478 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.673 3.014 1.723 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.403 3.967 3.542 1.00 0.28 C ATOM 0 H THR A 131 -4.941 6.145 4.394 1.00 0.26 H new ATOM 0 HA THR A 131 -6.533 4.690 2.363 1.00 0.29 H new ATOM 0 HB THR A 131 -4.093 4.986 1.797 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.396 2.498 2.136 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.482 3.621 3.073 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.209 4.893 4.083 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.763 3.209 4.238 1.00 0.28 H new ATOM 694 N GLN A 132 -6.319 4.404 5.433 1.00 0.25 N ATOM 695 CA GLN A 132 -6.680 3.734 6.675 1.00 0.25 C ATOM 696 C GLN A 132 -5.535 2.880 7.208 1.00 0.21 C ATOM 697 O GLN A 132 -5.694 1.692 7.489 1.00 0.23 O ATOM 698 CB GLN A 132 -7.942 2.881 6.529 1.00 0.32 C ATOM 699 CG GLN A 132 -9.167 3.645 6.049 1.00 0.41 C ATOM 700 CD GLN A 132 -9.566 4.761 6.991 1.00 1.38 C ATOM 701 OE1 GLN A 132 -9.124 5.900 6.849 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.403 4.441 7.964 1.00 2.15 N ATOM 0 H GLN A 132 -6.184 5.409 5.542 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.889 4.525 7.395 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.738 2.070 5.830 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.169 2.423 7.492 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.966 4.062 5.062 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -10.002 2.953 5.938 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.747 3.484 8.047 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -10.705 5.151 8.631 1.00 2.15 H new ATOM 711 N TYR A 133 -4.388 3.506 7.351 1.00 0.17 N ATOM 712 CA TYR A 133 -3.203 2.871 7.846 1.00 0.15 C ATOM 713 C TYR A 133 -2.393 3.924 8.550 1.00 0.15 C ATOM 714 O TYR A 133 -2.402 5.082 8.180 1.00 0.18 O ATOM 715 CB TYR A 133 -2.411 2.168 6.734 1.00 0.16 C ATOM 716 CG TYR A 133 -0.909 2.432 6.714 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.083 2.287 7.841 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.304 2.821 5.532 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.243 2.528 7.772 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.044 3.057 5.469 1.00 0.25 C ATOM 721 CZ TYR A 133 1.812 2.905 6.594 1.00 0.19 C ATOM 722 OH TYR A 133 3.151 3.139 6.545 1.00 0.27 O ATOM 0 H TYR A 133 -4.258 4.491 7.120 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.467 2.076 8.543 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.570 1.094 6.826 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.826 2.471 5.773 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.517 1.977 8.780 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.905 2.941 4.643 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.856 2.421 8.655 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.499 3.361 4.538 1.00 0.25 H new ATOM 0 HH TYR A 133 3.635 2.320 6.780 1.00 0.27 H new ATOM 732 N ARG A 134 -1.744 3.548 9.602 1.00 0.15 N ATOM 733 CA ARG A 134 -1.033 4.493 10.400 1.00 0.18 C ATOM 734 C ARG A 134 0.211 3.827 10.922 1.00 0.19 C ATOM 735 O ARG A 134 0.292 2.603 10.887 1.00 0.18 O ATOM 736 CB ARG A 134 -1.930 4.924 11.542 1.00 0.18 C ATOM 737 CG ARG A 134 -3.392 5.045 11.138 1.00 0.22 C ATOM 738 CD ARG A 134 -4.072 3.691 11.120 1.00 0.25 C ATOM 739 NE ARG A 134 -4.589 3.298 12.429 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.784 2.036 12.805 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.542 1.043 11.960 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.229 1.768 14.025 1.00 0.49 N ATOM 0 H ARG A 134 -1.691 2.584 9.932 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.751 5.372 9.820 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.842 4.205 12.357 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.584 5.884 11.926 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.910 5.705 11.833 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.462 5.503 10.151 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.892 3.711 10.402 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.363 2.939 10.774 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.814 4.036 13.096 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.205 1.245 11.019 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.693 0.077 12.251 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.422 2.529 14.676 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.378 0.801 14.312 1.00 0.49 H new ATOM 756 N GLN A 135 1.168 4.612 11.388 1.00 0.22 N ATOM 757 CA GLN A 135 2.413 4.073 11.894 1.00 0.25 C ATOM 758 C GLN A 135 2.198 2.936 12.836 1.00 0.24 C ATOM 759 O GLN A 135 1.245 2.911 13.620 1.00 0.30 O ATOM 760 CB GLN A 135 3.217 5.146 12.609 1.00 0.35 C ATOM 761 CG GLN A 135 4.359 4.602 13.446 1.00 0.88 C ATOM 762 CD GLN A 135 5.410 5.641 13.764 1.00 1.36 C ATOM 763 OE1 GLN A 135 6.367 5.827 13.013 1.00 1.87 O ATOM 764 NE2 GLN A 135 5.241 6.328 14.881 1.00 1.96 N ATOM 0 H GLN A 135 1.103 5.629 11.425 1.00 0.22 H new ATOM 0 HA GLN A 135 2.961 3.708 11.025 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.619 5.838 11.869 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.549 5.719 13.252 1.00 0.35 H new ATOM 0 HG2 GLN A 135 3.960 4.201 14.378 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.826 3.772 12.916 1.00 0.88 H new ATOM 0 HE21 GLN A 135 4.434 6.143 15.476 1.00 1.96 H new ATOM 0 HE22 GLN A 135 5.918 7.043 15.147 1.00 1.96 H new ATOM 773 N VAL A 136 3.119 2.009 12.780 1.00 0.23 N ATOM 774 CA VAL A 136 2.953 0.814 13.506 1.00 0.24 C ATOM 775 C VAL A 136 4.232 0.382 14.206 1.00 0.27 C ATOM 776 O VAL A 136 5.338 0.674 13.757 1.00 0.27 O ATOM 777 CB VAL A 136 2.420 -0.288 12.564 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.784 -1.682 13.019 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.927 -0.159 12.408 1.00 0.20 C ATOM 0 H VAL A 136 3.981 2.074 12.238 1.00 0.23 H new ATOM 0 HA VAL A 136 2.224 0.991 14.296 1.00 0.24 H new ATOM 0 HB VAL A 136 2.904 -0.140 11.599 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.381 -2.411 12.316 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.869 -1.779 13.061 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.365 -1.863 14.009 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.562 -0.941 11.742 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.449 -0.260 13.382 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.688 0.817 11.987 1.00 0.20 H new ATOM 789 N SER A 137 4.047 -0.290 15.323 1.00 0.31 N ATOM 790 CA SER A 137 5.127 -0.889 16.073 1.00 0.35 C ATOM 791 C SER A 137 5.872 -1.916 15.256 1.00 0.33 C ATOM 792 O SER A 137 7.097 -1.914 15.175 1.00 0.35 O ATOM 793 CB SER A 137 4.511 -1.589 17.255 1.00 0.39 C ATOM 794 OG SER A 137 4.143 -0.667 18.266 1.00 0.73 O ATOM 0 H SER A 137 3.128 -0.437 15.740 1.00 0.31 H new ATOM 0 HA SER A 137 5.832 -0.111 16.366 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.632 -2.147 16.932 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.218 -2.313 17.660 1.00 0.39 H new ATOM 0 HG SER A 137 3.744 -1.150 19.020 1.00 0.73 H new ATOM 800 N LYS A 138 5.101 -2.785 14.658 1.00 0.30 N ATOM 801 CA LYS A 138 5.615 -3.880 13.891 1.00 0.30 C ATOM 802 C LYS A 138 4.563 -4.321 12.924 1.00 0.27 C ATOM 803 O LYS A 138 3.484 -4.785 13.301 1.00 0.28 O ATOM 804 CB LYS A 138 5.992 -5.007 14.797 1.00 0.35 C ATOM 805 CG LYS A 138 4.888 -5.362 15.740 1.00 0.37 C ATOM 806 CD LYS A 138 5.200 -6.625 16.514 1.00 0.43 C ATOM 807 CE LYS A 138 5.462 -7.781 15.565 1.00 0.44 C ATOM 808 NZ LYS A 138 5.729 -9.052 16.286 1.00 0.51 N ATOM 0 H LYS A 138 4.082 -2.748 14.693 1.00 0.30 H new ATOM 0 HA LYS A 138 6.506 -3.567 13.346 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.253 -5.880 14.199 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.880 -4.733 15.366 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.725 -4.539 16.436 1.00 0.37 H new ATOM 0 HG3 LYS A 138 3.961 -5.496 15.182 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.071 -6.463 17.149 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.367 -6.870 17.173 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.602 -7.912 14.909 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.314 -7.540 14.929 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 5.902 -9.812 15.597 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.566 -8.938 16.893 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 4.906 -9.297 16.873 1.00 0.51 H new ATOM 822 N MET A 139 4.858 -4.128 11.683 1.00 0.25 N ATOM 823 CA MET A 139 3.867 -4.254 10.674 1.00 0.25 C ATOM 824 C MET A 139 3.530 -5.705 10.383 1.00 0.26 C ATOM 825 O MET A 139 4.228 -6.441 9.687 1.00 0.30 O ATOM 826 CB MET A 139 4.345 -3.502 9.447 1.00 0.33 C ATOM 827 CG MET A 139 5.370 -4.231 8.601 1.00 0.70 C ATOM 828 SD MET A 139 6.771 -4.890 9.550 1.00 2.16 S ATOM 829 CE MET A 139 7.832 -3.453 9.704 1.00 2.71 C ATOM 0 H MET A 139 5.787 -3.880 11.343 1.00 0.25 H new ATOM 0 HA MET A 139 2.931 -3.814 11.018 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.482 -3.270 8.823 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.772 -2.551 9.767 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.879 -5.052 8.079 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.748 -3.550 7.839 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.836 -3.770 9.986 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.873 -2.927 8.750 1.00 2.71 H new ATOM 0 HE3 MET A 139 7.434 -2.787 10.469 1.00 2.71 H new ATOM 839 N THR A 140 2.448 -6.115 10.967 1.00 0.25 N ATOM 840 CA THR A 140 1.774 -7.293 10.525 1.00 0.26 C ATOM 841 C THR A 140 0.355 -7.260 10.989 1.00 0.27 C ATOM 842 O THR A 140 0.006 -7.796 12.037 1.00 0.30 O ATOM 843 CB THR A 140 2.486 -8.527 11.086 1.00 0.31 C ATOM 844 OG1 THR A 140 1.712 -9.715 10.865 1.00 0.35 O ATOM 845 CG2 THR A 140 2.768 -8.339 12.570 1.00 0.34 C ATOM 0 H THR A 140 2.010 -5.645 11.759 1.00 0.25 H new ATOM 0 HA THR A 140 1.788 -7.339 9.436 1.00 0.26 H new ATOM 0 HB THR A 140 3.434 -8.644 10.560 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.189 -10.489 11.231 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.274 -9.222 12.959 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.403 -7.465 12.712 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.828 -8.195 13.104 1.00 0.34 H new ATOM 853 N ARG A 141 -0.474 -6.743 10.123 1.00 0.25 N ATOM 854 CA ARG A 141 -1.897 -6.761 10.290 1.00 0.28 C ATOM 855 C ARG A 141 -2.492 -6.735 8.908 1.00 0.30 C ATOM 856 O ARG A 141 -1.845 -6.237 7.991 1.00 0.45 O ATOM 857 CB ARG A 141 -2.377 -5.539 11.079 1.00 0.30 C ATOM 858 CG ARG A 141 -1.420 -5.073 12.157 1.00 0.38 C ATOM 859 CD ARG A 141 -1.516 -5.966 13.356 1.00 1.01 C ATOM 860 NE ARG A 141 -0.931 -5.359 14.550 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.307 -6.042 15.508 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.171 -7.360 15.411 1.00 2.38 N ATOM 863 NH2 ARG A 141 0.186 -5.404 16.562 1.00 1.97 N ATOM 0 H ARG A 141 -0.169 -6.288 9.263 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.202 -7.647 10.847 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.549 -4.718 10.383 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.337 -5.773 11.539 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.400 -5.076 11.773 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.652 -4.046 12.440 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.563 -6.202 13.547 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.010 -6.908 13.146 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.005 -4.347 14.656 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.545 -7.853 14.600 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.308 -7.879 16.147 1.00 2.38 H new ATOM 0 HH21 ARG A 141 0.087 -4.392 16.638 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.664 -5.926 17.296 1.00 1.97 H new ATOM 877 N PRO A 142 -3.696 -7.228 8.686 1.00 0.36 N ATOM 878 CA PRO A 142 -4.332 -6.970 7.417 1.00 0.39 C ATOM 879 C PRO A 142 -4.789 -5.516 7.351 1.00 0.32 C ATOM 880 O PRO A 142 -5.707 -5.105 8.064 1.00 0.37 O ATOM 881 CB PRO A 142 -5.524 -7.924 7.409 1.00 0.53 C ATOM 882 CG PRO A 142 -5.815 -8.195 8.851 1.00 0.79 C ATOM 883 CD PRO A 142 -4.504 -8.068 9.584 1.00 0.55 C ATOM 0 HA PRO A 142 -3.674 -7.124 6.562 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.384 -7.477 6.911 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.289 -8.844 6.874 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.546 -7.486 9.239 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.237 -9.192 8.981 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.633 -7.604 10.562 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.040 -9.040 9.751 1.00 0.55 H new ATOM 891 N GLY A 143 -4.135 -4.739 6.504 1.00 0.27 N ATOM 892 CA GLY A 143 -4.576 -3.372 6.262 1.00 0.27 C ATOM 893 C GLY A 143 -4.009 -2.355 7.248 1.00 0.26 C ATOM 894 O GLY A 143 -4.502 -1.230 7.334 1.00 0.38 O ATOM 0 H GLY A 143 -3.309 -5.024 5.978 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.289 -3.082 5.251 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.665 -3.339 6.307 1.00 0.27 H new ATOM 898 N GLU A 144 -2.971 -2.738 7.986 1.00 0.17 N ATOM 899 CA GLU A 144 -2.290 -1.814 8.899 1.00 0.14 C ATOM 900 C GLU A 144 -0.803 -1.983 8.700 1.00 0.11 C ATOM 901 O GLU A 144 -0.306 -3.109 8.703 1.00 0.12 O ATOM 902 CB GLU A 144 -2.659 -2.102 10.355 1.00 0.18 C ATOM 903 CG GLU A 144 -4.157 -2.223 10.593 1.00 0.40 C ATOM 904 CD GLU A 144 -4.508 -2.452 12.046 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.579 -1.469 12.815 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.709 -3.623 12.432 1.00 1.44 O ATOM 0 H GLU A 144 -2.580 -3.680 7.973 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.597 -0.791 8.682 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.174 -3.027 10.667 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.263 -1.306 10.985 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.649 -1.315 10.245 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.549 -3.047 9.996 1.00 0.40 H new ATOM 913 N PHE A 145 -0.081 -0.887 8.538 1.00 0.10 N ATOM 914 CA PHE A 145 1.291 -0.996 8.066 1.00 0.10 C ATOM 915 C PHE A 145 2.211 -0.135 8.901 1.00 0.09 C ATOM 916 O PHE A 145 1.759 0.591 9.768 1.00 0.10 O ATOM 917 CB PHE A 145 1.439 -0.600 6.584 1.00 0.16 C ATOM 918 CG PHE A 145 0.279 -0.926 5.656 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.415 -2.115 5.797 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.132 -0.048 4.672 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.486 -2.420 4.978 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.198 -0.347 3.847 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.814 -1.512 3.914 1.00 0.27 C ATOM 0 H PHE A 145 -0.408 0.062 8.720 1.00 0.10 H new ATOM 0 HA PHE A 145 1.568 -2.045 8.165 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.616 0.475 6.538 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.332 -1.087 6.192 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.114 -2.817 6.561 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.390 0.889 4.546 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.063 -3.320 5.134 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.535 0.388 3.131 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.557 -1.780 3.177 1.00 0.27 H new ATOM 933 N THR A 146 3.499 -0.195 8.633 1.00 0.09 N ATOM 934 CA THR A 146 4.442 0.601 9.386 1.00 0.12 C ATOM 935 C THR A 146 4.984 1.747 8.564 1.00 0.12 C ATOM 936 O THR A 146 5.212 1.627 7.358 1.00 0.15 O ATOM 937 CB THR A 146 5.612 -0.232 9.898 1.00 0.15 C ATOM 938 OG1 THR A 146 6.098 -1.082 8.859 1.00 0.16 O ATOM 939 CG2 THR A 146 5.221 -1.046 11.105 1.00 0.19 C ATOM 0 H THR A 146 3.912 -0.780 7.907 1.00 0.09 H new ATOM 0 HA THR A 146 3.889 0.996 10.238 1.00 0.12 H new ATOM 0 HB THR A 146 6.406 0.450 10.202 1.00 0.15 H new ATOM 0 HG1 THR A 146 7.054 -0.916 8.720 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.078 -1.628 11.444 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.896 -0.379 11.904 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.406 -1.720 10.841 1.00 0.19 H new ATOM 947 N VAL A 147 5.174 2.853 9.239 1.00 0.14 N ATOM 948 CA VAL A 147 5.645 4.078 8.621 1.00 0.15 C ATOM 949 C VAL A 147 7.107 4.366 8.980 1.00 0.23 C ATOM 950 O VAL A 147 7.501 4.252 10.142 1.00 0.29 O ATOM 951 CB VAL A 147 4.761 5.246 9.080 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.358 6.580 8.667 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.369 5.101 8.517 1.00 0.73 C ATOM 0 H VAL A 147 5.006 2.934 10.242 1.00 0.14 H new ATOM 0 HA VAL A 147 5.585 3.960 7.539 1.00 0.15 H new ATOM 0 HB VAL A 147 4.708 5.221 10.168 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.710 7.389 9.005 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.344 6.692 9.117 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.448 6.618 7.581 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.753 5.936 8.850 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.416 5.097 7.428 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.931 4.165 8.865 1.00 0.73 H new ATOM 963 N GLN A 148 7.908 4.733 7.979 1.00 0.37 N ATOM 964 CA GLN A 148 9.302 5.105 8.215 1.00 0.51 C ATOM 965 C GLN A 148 9.573 6.541 7.762 1.00 0.58 C ATOM 966 O GLN A 148 9.452 7.476 8.552 1.00 1.16 O ATOM 967 CB GLN A 148 10.260 4.140 7.511 1.00 0.57 C ATOM 968 CG GLN A 148 10.162 2.708 8.007 1.00 1.20 C ATOM 969 CD GLN A 148 11.179 1.789 7.355 1.00 1.71 C ATOM 970 OE1 GLN A 148 10.928 0.599 7.176 1.00 2.45 O ATOM 971 NE2 GLN A 148 12.338 2.326 7.010 1.00 2.15 N ATOM 0 H GLN A 148 7.617 4.780 7.003 1.00 0.37 H new ATOM 0 HA GLN A 148 9.478 5.042 9.289 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.057 4.158 6.440 1.00 0.57 H new ATOM 0 HB3 GLN A 148 11.282 4.493 7.648 1.00 0.57 H new ATOM 0 HG2 GLN A 148 10.305 2.692 9.087 1.00 1.20 H new ATOM 0 HG3 GLN A 148 9.159 2.329 7.812 1.00 1.20 H new ATOM 0 HE21 GLN A 148 12.510 3.318 7.174 1.00 2.15 H new ATOM 0 HE22 GLN A 148 13.060 1.748 6.580 1.00 2.15 H new ATOM 980 N ALA A 149 9.925 6.713 6.489 1.00 0.40 N ATOM 981 CA ALA A 149 10.233 8.037 5.946 1.00 0.39 C ATOM 982 C ALA A 149 10.224 8.016 4.420 1.00 0.31 C ATOM 983 O ALA A 149 9.233 8.386 3.793 1.00 0.37 O ATOM 984 CB ALA A 149 11.578 8.530 6.465 1.00 0.49 C ATOM 0 H ALA A 149 10.004 5.953 5.814 1.00 0.40 H new ATOM 0 HA ALA A 149 9.459 8.728 6.281 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.789 9.516 6.050 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.547 8.593 7.553 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.361 7.834 6.164 1.00 0.49 H new ATOM 990 N ASN A 150 11.325 7.560 3.827 1.00 0.26 N ATOM 991 CA ASN A 150 11.421 7.431 2.371 1.00 0.24 C ATOM 992 C ASN A 150 10.793 6.147 1.931 1.00 0.19 C ATOM 993 O ASN A 150 10.762 5.832 0.750 1.00 0.20 O ATOM 994 CB ASN A 150 12.857 7.376 1.897 1.00 0.28 C ATOM 995 CG ASN A 150 13.682 8.595 2.268 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.160 9.699 2.404 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.982 8.399 2.428 1.00 1.00 N ATOM 0 H ASN A 150 12.164 7.273 4.330 1.00 0.26 H new ATOM 0 HA ASN A 150 10.920 8.304 1.953 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.332 6.489 2.315 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.866 7.261 0.813 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.589 9.181 2.673 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.376 7.466 2.306 1.00 1.00 H new ATOM 1004 N SER A 151 10.370 5.360 2.881 1.00 0.17 N ATOM 1005 CA SER A 151 9.665 4.155 2.561 1.00 0.20 C ATOM 1006 C SER A 151 8.603 3.867 3.616 1.00 0.20 C ATOM 1007 O SER A 151 8.763 4.226 4.783 1.00 0.27 O ATOM 1008 CB SER A 151 10.631 2.967 2.491 1.00 0.27 C ATOM 1009 OG SER A 151 11.714 3.229 1.617 1.00 0.94 O ATOM 0 H SER A 151 10.501 5.532 3.878 1.00 0.17 H new ATOM 0 HA SER A 151 9.190 4.292 1.590 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.012 2.747 3.488 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.095 2.080 2.152 1.00 0.27 H new ATOM 0 HG SER A 151 11.750 2.536 0.925 1.00 0.94 H new ATOM 1015 N ILE A 152 7.520 3.254 3.190 1.00 0.18 N ATOM 1016 CA ILE A 152 6.548 2.680 4.095 1.00 0.17 C ATOM 1017 C ILE A 152 6.641 1.167 3.969 1.00 0.17 C ATOM 1018 O ILE A 152 7.305 0.664 3.066 1.00 0.19 O ATOM 1019 CB ILE A 152 5.134 3.183 3.747 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.895 4.515 4.452 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.043 2.177 4.106 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.567 5.108 4.128 1.00 0.20 C ATOM 0 H ILE A 152 7.288 3.139 2.203 1.00 0.18 H new ATOM 0 HA ILE A 152 6.751 2.979 5.123 1.00 0.17 H new ATOM 0 HB ILE A 152 5.079 3.315 2.666 1.00 0.18 H new ATOM 0 HG12 ILE A 152 4.970 4.369 5.530 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.680 5.217 4.170 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.069 2.586 3.838 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.210 1.249 3.559 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.071 1.977 5.177 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.452 6.054 4.657 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.499 5.282 3.054 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.778 4.422 4.435 1.00 0.20 H new ATOM 1034 N GLU A 153 6.013 0.438 4.855 1.00 0.16 N ATOM 1035 CA GLU A 153 5.930 -0.990 4.676 1.00 0.14 C ATOM 1036 C GLU A 153 4.486 -1.429 4.687 1.00 0.23 C ATOM 1037 O GLU A 153 3.878 -1.459 5.744 1.00 0.56 O ATOM 1038 CB GLU A 153 6.640 -1.742 5.762 1.00 0.18 C ATOM 1039 CG GLU A 153 6.904 -3.155 5.314 1.00 0.27 C ATOM 1040 CD GLU A 153 8.109 -3.785 5.967 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.930 -4.681 6.818 1.00 0.97 O ATOM 1042 OE2 GLU A 153 9.234 -3.374 5.649 1.00 0.72 O ATOM 0 H GLU A 153 5.559 0.800 5.694 1.00 0.16 H new ATOM 0 HA GLU A 153 6.405 -1.211 3.720 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.580 -1.246 6.006 1.00 0.18 H new ATOM 0 HB3 GLU A 153 6.036 -1.745 6.670 1.00 0.18 H new ATOM 0 HG2 GLU A 153 6.026 -3.764 5.528 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.042 -3.164 4.233 1.00 0.27 H new ATOM 1049 N MET A 154 3.956 -1.823 3.545 1.00 0.13 N ATOM 1050 CA MET A 154 2.530 -2.052 3.432 1.00 0.13 C ATOM 1051 C MET A 154 2.218 -3.525 3.236 1.00 0.15 C ATOM 1052 O MET A 154 2.772 -4.185 2.361 1.00 0.18 O ATOM 1053 CB MET A 154 1.946 -1.191 2.295 1.00 0.19 C ATOM 1054 CG MET A 154 2.127 -1.759 0.891 1.00 0.94 C ATOM 1055 SD MET A 154 0.722 -2.763 0.370 1.00 0.73 S ATOM 1056 CE MET A 154 1.251 -3.297 -1.253 1.00 1.32 C ATOM 0 H MET A 154 4.486 -1.990 2.690 1.00 0.13 H new ATOM 0 HA MET A 154 2.056 -1.752 4.367 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.881 -1.050 2.478 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.409 -0.205 2.333 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.266 -0.940 0.186 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.033 -2.364 0.860 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.489 -3.942 -1.690 1.00 1.32 H new ATOM 0 HE2 MET A 154 1.400 -2.426 -1.892 1.00 1.32 H new ATOM 0 HE3 MET A 154 2.187 -3.849 -1.167 1.00 1.32 H new ATOM 1066 N ILE A 155 1.363 -4.048 4.102 1.00 0.16 N ATOM 1067 CA ILE A 155 0.875 -5.398 3.950 1.00 0.19 C ATOM 1068 C ILE A 155 0.049 -5.504 2.679 1.00 0.27 C ATOM 1069 O ILE A 155 -0.932 -4.781 2.499 1.00 0.33 O ATOM 1070 CB ILE A 155 0.016 -5.870 5.137 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.422 -5.141 6.424 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.174 -7.386 5.297 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.256 -5.956 7.367 1.00 0.24 C ATOM 0 H ILE A 155 0.997 -3.553 4.915 1.00 0.16 H new ATOM 0 HA ILE A 155 1.754 -6.041 3.904 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.031 -5.636 4.942 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.975 -4.240 6.157 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.480 -4.819 6.944 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.432 -7.728 6.136 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.155 -7.884 4.385 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.221 -7.625 5.484 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.496 -5.361 8.248 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.701 -6.844 7.669 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.178 -6.256 6.870 1.00 0.24 H new ATOM 1297 N VAL A 169 0.523 -11.148 3.691 1.00 0.38 N ATOM 1298 CA VAL A 169 1.820 -10.855 3.131 1.00 0.32 C ATOM 1299 C VAL A 169 2.063 -9.389 3.202 1.00 0.26 C ATOM 1300 O VAL A 169 1.160 -8.612 2.968 1.00 0.29 O ATOM 1301 CB VAL A 169 1.938 -11.206 1.656 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.296 -10.733 1.163 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.725 -12.690 1.425 1.00 0.48 C ATOM 0 HA VAL A 169 2.529 -11.450 3.707 1.00 0.32 H new ATOM 0 HB VAL A 169 1.158 -10.702 1.086 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.403 -10.974 0.106 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.377 -9.655 1.299 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.083 -11.230 1.730 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.816 -12.909 0.361 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.475 -13.256 1.977 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.731 -12.973 1.770 1.00 0.48 H new ATOM 1313 N ARG A 170 3.281 -9.013 3.446 1.00 0.23 N ATOM 1314 CA ARG A 170 3.607 -7.626 3.492 1.00 0.20 C ATOM 1315 C ARG A 170 4.717 -7.261 2.558 1.00 0.19 C ATOM 1316 O ARG A 170 5.636 -8.039 2.293 1.00 0.25 O ATOM 1317 CB ARG A 170 3.888 -7.209 4.906 1.00 0.26 C ATOM 1318 CG ARG A 170 4.766 -8.188 5.635 1.00 0.23 C ATOM 1319 CD ARG A 170 6.230 -8.093 5.237 1.00 0.39 C ATOM 1320 NE ARG A 170 7.038 -7.301 6.166 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.055 -7.796 6.877 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.332 -9.093 6.845 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.788 -6.985 7.626 1.00 1.61 N ATOM 0 H ARG A 170 4.062 -9.647 3.616 1.00 0.23 H new ATOM 0 HA ARG A 170 2.740 -7.068 3.139 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.366 -6.230 4.904 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.946 -7.102 5.443 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.676 -8.017 6.708 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.409 -9.200 5.442 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.646 -9.098 5.172 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.300 -7.654 4.242 1.00 0.39 H new ATOM 0 HE ARG A 170 6.811 -6.313 6.277 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.767 -9.721 6.274 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.110 -9.462 7.391 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.575 -5.988 7.658 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.566 -7.358 8.171 1.00 1.61 H new ATOM 1337 N ALA A 171 4.582 -6.081 2.032 1.00 0.17 N ATOM 1338 CA ALA A 171 5.526 -5.551 1.098 1.00 0.16 C ATOM 1339 C ALA A 171 6.182 -4.305 1.652 1.00 0.16 C ATOM 1340 O ALA A 171 5.685 -3.702 2.593 1.00 0.20 O ATOM 1341 CB ALA A 171 4.834 -5.249 -0.213 1.00 0.16 C ATOM 0 H ALA A 171 3.805 -5.454 2.242 1.00 0.17 H new ATOM 0 HA ALA A 171 6.305 -6.294 0.924 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.557 -4.845 -0.922 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.403 -6.165 -0.617 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.042 -4.518 -0.047 1.00 0.16 H new ATOM 1347 N ARG A 172 7.285 -3.917 1.052 1.00 0.16 N ATOM 1348 CA ARG A 172 7.999 -2.742 1.481 1.00 0.18 C ATOM 1349 C ARG A 172 7.910 -1.735 0.387 1.00 0.18 C ATOM 1350 O ARG A 172 8.344 -1.961 -0.740 1.00 0.22 O ATOM 1351 CB ARG A 172 9.446 -3.039 1.848 1.00 0.24 C ATOM 1352 CG ARG A 172 10.274 -1.797 2.148 1.00 0.79 C ATOM 1353 CD ARG A 172 11.665 -2.165 2.637 1.00 1.08 C ATOM 1354 NE ARG A 172 12.486 -0.986 2.913 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.405 -0.930 3.879 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.599 -1.974 4.674 1.00 2.48 N ATOM 1357 NH2 ARG A 172 14.126 0.174 4.056 1.00 3.69 N ATOM 0 H ARG A 172 7.707 -4.403 0.261 1.00 0.16 H new ATOM 0 HA ARG A 172 7.543 -2.356 2.393 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.462 -3.694 2.719 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.913 -3.586 1.029 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.352 -1.184 1.250 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.769 -1.194 2.902 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.582 -2.767 3.542 1.00 1.08 H new ATOM 0 HD3 ARG A 172 12.160 -2.782 1.887 1.00 1.08 H new ATOM 0 HE ARG A 172 12.348 -0.158 2.333 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.045 -2.821 4.547 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.302 -1.930 5.412 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.977 0.982 3.452 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.827 0.212 4.796 1.00 3.69 H new ATOM 1371 N LEU A 173 7.319 -0.643 0.732 1.00 0.20 N ATOM 1372 CA LEU A 173 6.840 0.292 -0.224 1.00 0.24 C ATOM 1373 C LEU A 173 7.633 1.587 -0.127 1.00 0.25 C ATOM 1374 O LEU A 173 7.480 2.371 0.797 1.00 0.48 O ATOM 1375 CB LEU A 173 5.358 0.467 0.058 1.00 0.37 C ATOM 1376 CG LEU A 173 4.842 1.867 -0.069 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.511 2.185 -1.492 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.671 2.069 0.867 1.00 0.54 C ATOM 0 H LEU A 173 7.153 -0.371 1.701 1.00 0.20 H new ATOM 0 HA LEU A 173 6.971 -0.051 -1.250 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.797 -0.172 -0.624 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.153 0.112 1.068 1.00 0.37 H new ATOM 0 HG LEU A 173 5.620 2.571 0.228 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.138 3.207 -1.559 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.407 2.084 -2.105 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.747 1.496 -1.851 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.300 3.089 0.770 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.876 1.368 0.612 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.992 1.896 1.894 1.00 0.54 H new ATOM 1390 N THR A 174 8.484 1.802 -1.095 1.00 0.17 N ATOM 1391 CA THR A 174 9.454 2.865 -1.025 1.00 0.15 C ATOM 1392 C THR A 174 9.090 4.028 -1.904 1.00 0.13 C ATOM 1393 O THR A 174 8.447 3.873 -2.936 1.00 0.12 O ATOM 1394 CB THR A 174 10.848 2.353 -1.391 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.306 1.409 -0.412 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.806 3.511 -1.480 1.00 0.20 C ATOM 0 H THR A 174 8.525 1.249 -1.951 1.00 0.17 H new ATOM 0 HA THR A 174 9.459 3.218 0.006 1.00 0.15 H new ATOM 0 HB THR A 174 10.799 1.853 -2.358 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.198 1.088 -0.659 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.798 3.143 -1.741 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.464 4.208 -2.246 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.850 4.022 -0.518 1.00 0.20 H new ATOM 1404 N PHE A 175 9.505 5.193 -1.452 1.00 0.16 N ATOM 1405 CA PHE A 175 9.282 6.421 -2.142 1.00 0.17 C ATOM 1406 C PHE A 175 10.587 7.019 -2.658 1.00 0.19 C ATOM 1407 O PHE A 175 11.441 7.417 -1.873 1.00 0.32 O ATOM 1408 CB PHE A 175 8.655 7.394 -1.179 1.00 0.30 C ATOM 1409 CG PHE A 175 7.660 6.763 -0.275 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.512 6.191 -0.781 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.889 6.718 1.083 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.609 5.585 0.049 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.983 6.116 1.922 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.842 5.548 1.404 1.00 0.15 C ATOM 0 H PHE A 175 10.016 5.302 -0.576 1.00 0.16 H new ATOM 0 HA PHE A 175 8.634 6.228 -2.997 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.438 7.858 -0.579 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.170 8.191 -1.742 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.324 6.222 -1.844 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.787 7.159 1.491 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.715 5.137 -0.359 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.166 6.089 2.986 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.129 5.073 2.062 1.00 0.15 H new ATOM 1424 N ASP A 176 10.723 7.101 -3.967 1.00 0.16 N ATOM 1425 CA ASP A 176 11.926 7.667 -4.585 1.00 0.20 C ATOM 1426 C ASP A 176 11.644 9.041 -5.177 1.00 0.19 C ATOM 1427 O ASP A 176 11.072 9.163 -6.259 1.00 0.20 O ATOM 1428 CB ASP A 176 12.460 6.740 -5.681 1.00 0.29 C ATOM 1429 CG ASP A 176 13.561 7.374 -6.514 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.380 7.498 -7.744 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.610 7.745 -5.949 1.00 0.68 O ATOM 0 H ASP A 176 10.018 6.784 -4.633 1.00 0.16 H new ATOM 0 HA ASP A 176 12.678 7.769 -3.803 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.840 5.827 -5.223 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.638 6.450 -6.336 1.00 0.29 H new ATOM 1436 N GLY A 177 12.021 10.076 -4.456 1.00 0.21 N ATOM 1437 CA GLY A 177 11.882 11.418 -4.982 1.00 0.23 C ATOM 1438 C GLY A 177 10.522 12.010 -4.711 1.00 0.23 C ATOM 1439 O GLY A 177 10.122 12.166 -3.555 1.00 0.27 O ATOM 0 H GLY A 177 12.420 10.017 -3.519 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.647 12.058 -4.542 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.060 11.403 -6.057 1.00 0.23 H new ATOM 1443 N ASP A 178 9.812 12.338 -5.777 1.00 0.22 N ATOM 1444 CA ASP A 178 8.470 12.881 -5.666 1.00 0.26 C ATOM 1445 C ASP A 178 7.538 11.844 -6.206 1.00 0.23 C ATOM 1446 O ASP A 178 6.366 12.106 -6.455 1.00 0.25 O ATOM 1447 CB ASP A 178 8.302 14.158 -6.483 1.00 0.34 C ATOM 1448 CG ASP A 178 7.361 15.156 -5.832 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.802 15.926 -4.953 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.164 15.162 -6.189 1.00 1.34 O ATOM 0 H ASP A 178 10.146 12.237 -6.735 1.00 0.22 H new ATOM 0 HA ASP A 178 8.266 13.128 -4.624 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.277 14.624 -6.624 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.925 13.903 -7.473 1.00 0.34 H new ATOM 1455 N HIS A 179 8.088 10.652 -6.391 1.00 0.19 N ATOM 1456 CA HIS A 179 7.351 9.542 -6.933 1.00 0.17 C ATOM 1457 C HIS A 179 7.641 8.259 -6.190 1.00 0.13 C ATOM 1458 O HIS A 179 8.639 8.131 -5.491 1.00 0.13 O ATOM 1459 CB HIS A 179 7.682 9.387 -8.423 1.00 0.22 C ATOM 1460 CG HIS A 179 9.088 8.947 -8.735 1.00 0.26 C ATOM 1461 ND1 HIS A 179 10.052 9.808 -9.204 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.681 7.731 -8.664 1.00 0.93 C ATOM 1463 CE1 HIS A 179 11.173 9.147 -9.405 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.980 7.882 -9.085 1.00 0.45 N ATOM 0 H HIS A 179 9.059 10.437 -6.166 1.00 0.19 H new ATOM 0 HA HIS A 179 6.287 9.748 -6.814 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.990 8.666 -8.857 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.501 10.341 -8.918 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.218 6.812 -8.337 1.00 0.93 H new ATOM 0 HE1 HIS A 179 12.097 9.570 -9.771 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.678 7.140 -9.141 1.00 0.45 H new ATOM 1473 N LEU A 180 6.732 7.317 -6.340 1.00 0.13 N ATOM 1474 CA LEU A 180 6.870 6.022 -5.705 1.00 0.12 C ATOM 1475 C LEU A 180 8.014 5.254 -6.302 1.00 0.14 C ATOM 1476 O LEU A 180 8.178 5.180 -7.518 1.00 0.22 O ATOM 1477 CB LEU A 180 5.586 5.220 -5.859 1.00 0.17 C ATOM 1478 CG LEU A 180 5.368 4.183 -4.778 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.670 4.798 -3.440 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.945 3.679 -4.810 1.00 0.20 C ATOM 0 H LEU A 180 5.886 7.425 -6.899 1.00 0.13 H new ATOM 0 HA LEU A 180 7.070 6.186 -4.646 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.740 5.907 -5.863 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.596 4.721 -6.828 1.00 0.17 H new ATOM 0 HG LEU A 180 6.033 3.337 -4.950 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.515 4.057 -2.656 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.706 5.136 -3.420 1.00 0.14 H new ATOM 0 HD13 LEU A 180 5.008 5.648 -3.272 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.805 2.934 -4.027 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.260 4.511 -4.646 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.741 3.227 -5.781 1.00 0.20 H new ATOM 1492 N ALA A 181 8.802 4.685 -5.420 1.00 0.12 N ATOM 1493 CA ALA A 181 9.963 3.957 -5.811 1.00 0.13 C ATOM 1494 C ALA A 181 9.606 2.542 -6.223 1.00 0.14 C ATOM 1495 O ALA A 181 9.939 2.097 -7.320 1.00 0.15 O ATOM 1496 CB ALA A 181 10.928 3.941 -4.662 1.00 0.13 C ATOM 0 H ALA A 181 8.647 4.720 -4.412 1.00 0.12 H new ATOM 0 HA ALA A 181 10.420 4.443 -6.673 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.823 3.387 -4.946 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.202 4.964 -4.402 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.462 3.461 -3.802 1.00 0.13 H new ATOM 1502 N THR A 182 8.927 1.849 -5.323 1.00 0.15 N ATOM 1503 CA THR A 182 8.531 0.475 -5.541 1.00 0.18 C ATOM 1504 C THR A 182 7.803 -0.048 -4.328 1.00 0.17 C ATOM 1505 O THR A 182 7.672 0.639 -3.317 1.00 0.16 O ATOM 1506 CB THR A 182 9.741 -0.435 -5.796 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.322 -1.687 -6.356 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.467 -0.681 -4.491 1.00 0.24 C ATOM 0 H THR A 182 8.637 2.227 -4.421 1.00 0.15 H new ATOM 0 HA THR A 182 7.886 0.463 -6.420 1.00 0.18 H new ATOM 0 HB THR A 182 10.408 0.057 -6.504 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.106 -2.254 -6.514 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.327 -1.327 -4.669 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.806 0.269 -4.079 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.792 -1.163 -3.784 1.00 0.24 H new ATOM 1516 N ILE A 183 7.352 -1.270 -4.455 1.00 0.20 N ATOM 1517 CA ILE A 183 6.678 -1.983 -3.410 1.00 0.18 C ATOM 1518 C ILE A 183 7.071 -3.437 -3.542 1.00 0.20 C ATOM 1519 O ILE A 183 7.057 -3.984 -4.644 1.00 0.28 O ATOM 1520 CB ILE A 183 5.169 -1.841 -3.532 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.797 -0.426 -3.177 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.473 -2.829 -2.629 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.599 0.479 -4.359 1.00 0.20 C ATOM 0 H ILE A 183 7.449 -1.809 -5.316 1.00 0.20 H new ATOM 0 HA ILE A 183 6.962 -1.581 -2.438 1.00 0.18 H new ATOM 0 HB ILE A 183 4.852 -2.055 -4.553 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.879 -0.441 -2.589 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.577 -0.007 -2.541 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.394 -2.715 -2.728 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.758 -3.843 -2.911 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.764 -2.645 -1.595 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.334 1.478 -4.012 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.521 0.529 -4.938 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.798 0.088 -4.986 1.00 0.20 H new ATOM 1535 N VAL A 184 7.451 -4.056 -2.453 1.00 0.21 N ATOM 1536 CA VAL A 184 8.090 -5.351 -2.531 1.00 0.24 C ATOM 1537 C VAL A 184 7.552 -6.329 -1.527 1.00 0.23 C ATOM 1538 O VAL A 184 7.755 -6.131 -0.340 1.00 0.22 O ATOM 1539 CB VAL A 184 9.580 -5.204 -2.248 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.257 -6.552 -2.310 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.199 -4.220 -3.218 1.00 0.34 C ATOM 0 H VAL A 184 7.332 -3.691 -1.508 1.00 0.21 H new ATOM 0 HA VAL A 184 7.894 -5.727 -3.535 1.00 0.24 H new ATOM 0 HB VAL A 184 9.720 -4.810 -1.241 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.321 -6.434 -2.106 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.816 -7.215 -1.566 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.123 -6.981 -3.303 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.264 -4.122 -3.007 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.063 -4.580 -4.238 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.717 -3.249 -3.108 1.00 0.34 H new ATOM 1551 N ASN A 185 6.924 -7.406 -1.989 1.00 0.29 N ATOM 1552 CA ASN A 185 6.540 -8.478 -1.082 1.00 0.32 C ATOM 1553 C ASN A 185 7.785 -8.998 -0.428 1.00 0.33 C ATOM 1554 O ASN A 185 8.535 -9.773 -1.001 1.00 0.40 O ATOM 1555 CB ASN A 185 5.806 -9.616 -1.795 1.00 0.44 C ATOM 1556 CG ASN A 185 4.392 -9.256 -2.192 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.756 -8.404 -1.574 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.882 -9.922 -3.214 1.00 1.57 N ATOM 0 H ASN A 185 6.675 -7.557 -2.966 1.00 0.29 H new ATOM 0 HA ASN A 185 5.845 -8.078 -0.344 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.366 -9.899 -2.686 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.782 -10.489 -1.143 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.926 -9.737 -3.517 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.445 -10.621 -3.699 1.00 1.57 H new ATOM 1565 N MET A 186 7.959 -8.531 0.785 1.00 0.31 N ATOM 1566 CA MET A 186 9.158 -8.680 1.585 1.00 0.36 C ATOM 1567 C MET A 186 9.543 -10.107 1.781 1.00 0.43 C ATOM 1568 O MET A 186 10.665 -10.421 2.173 1.00 0.53 O ATOM 1569 CB MET A 186 8.891 -8.015 2.919 1.00 0.36 C ATOM 1570 CG MET A 186 8.892 -6.503 2.866 1.00 0.34 C ATOM 1571 SD MET A 186 10.551 -5.783 2.975 1.00 0.94 S ATOM 1572 CE MET A 186 11.285 -6.244 1.405 1.00 1.42 C ATOM 0 H MET A 186 7.230 -8.008 1.270 1.00 0.31 H new ATOM 0 HA MET A 186 9.996 -8.213 1.067 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.926 -8.354 3.295 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.645 -8.343 3.634 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.423 -6.179 1.937 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.282 -6.117 3.683 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.050 -5.516 1.133 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.738 -7.232 1.491 1.00 1.42 H new ATOM 0 HE3 MET A 186 10.514 -6.264 0.635 1.00 1.42 H new ATOM 1582 N GLU A 187 8.608 -10.956 1.505 1.00 0.43 N ATOM 1583 CA GLU A 187 8.809 -12.346 1.629 1.00 0.51 C ATOM 1584 C GLU A 187 9.681 -12.861 0.509 1.00 0.59 C ATOM 1585 O GLU A 187 10.621 -13.633 0.712 1.00 0.68 O ATOM 1586 CB GLU A 187 7.459 -12.998 1.607 1.00 0.50 C ATOM 1587 CG GLU A 187 6.435 -12.177 2.355 1.00 0.42 C ATOM 1588 CD GLU A 187 5.411 -13.026 3.070 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.346 -12.963 4.312 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.668 -13.765 2.395 1.00 0.67 O ATOM 0 H GLU A 187 7.676 -10.692 1.184 1.00 0.43 H new ATOM 0 HA GLU A 187 9.323 -12.578 2.562 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.136 -13.132 0.575 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.526 -13.991 2.052 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.945 -11.543 3.081 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.926 -11.515 1.655 1.00 0.42 H new ATOM 1597 N ASN A 188 9.352 -12.409 -0.675 1.00 0.58 N ATOM 1598 CA ASN A 188 10.092 -12.785 -1.866 1.00 0.67 C ATOM 1599 C ASN A 188 11.117 -11.734 -2.233 1.00 0.64 C ATOM 1600 O ASN A 188 12.111 -12.050 -2.882 1.00 0.74 O ATOM 1601 CB ASN A 188 9.153 -13.039 -3.052 1.00 0.73 C ATOM 1602 CG ASN A 188 8.319 -14.296 -2.886 1.00 1.45 C ATOM 1603 OD1 ASN A 188 8.745 -15.390 -3.253 1.00 2.36 O ATOM 1604 ND2 ASN A 188 7.115 -14.149 -2.356 1.00 1.95 N ATOM 0 H ASN A 188 8.571 -11.775 -0.846 1.00 0.58 H new ATOM 0 HA ASN A 188 10.616 -13.713 -1.636 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.490 -12.183 -3.174 1.00 0.73 H new ATOM 0 HB3 ASN A 188 9.743 -13.118 -3.965 1.00 0.73 H new ATOM 0 HD21 ASN A 188 6.506 -14.959 -2.240 1.00 1.95 H new ATOM 0 HD22 ASN A 188 6.796 -13.225 -2.063 1.00 1.95 H new ATOM 1611 N ASN A 189 10.866 -10.495 -1.804 1.00 0.53 N ATOM 1612 CA ASN A 189 11.792 -9.377 -1.949 1.00 0.52 C ATOM 1613 C ASN A 189 12.594 -9.389 -3.257 1.00 0.61 C ATOM 1614 O ASN A 189 13.791 -9.098 -3.279 1.00 0.71 O ATOM 1615 CB ASN A 189 12.686 -9.339 -0.718 1.00 0.59 C ATOM 1616 CG ASN A 189 13.646 -10.516 -0.598 1.00 1.12 C ATOM 1617 OD1 ASN A 189 13.309 -11.554 -0.021 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.848 -10.361 -1.125 1.00 1.74 N ATOM 0 H ASN A 189 9.996 -10.239 -1.338 1.00 0.53 H new ATOM 0 HA ASN A 189 11.209 -8.458 -2.017 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.264 -8.415 -0.733 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.057 -9.307 0.172 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.533 -11.114 -1.062 1.00 1.74 H new ATOM 0 HD22 ASN A 189 15.090 -9.488 -1.594 1.00 1.74 H new