USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 GLN : amide:sc= -0.259 K(o=0.075,f=-3.8!) USER MOD Set 1.2: A 151 SER OG : rot -178:sc= 0.334 USER MOD Set 2.1: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 150 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.5!) USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00546 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 122 ASN : amide:sc= -0.0019 K(o=-0.0019,f=-1.3) USER MOD Single : A 124 MET CE :methyl 139:sc= -0.391 (180deg=-1.53) USER MOD Single : A 126 LYS NZ :NH3+ -174:sc=-0.00255 (180deg=-0.064) USER MOD Single : A 131 THR OG1 : rot -30:sc= 0.191 USER MOD Single : A 132 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.35) USER MOD Single : A 133 TYR OH : rot 83:sc= -3.52 USER MOD Single : A 135 GLN : amide:sc= -1.73! K(o=-1.7!,f=-0.16) 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 -155:sc= -0.0049 (180deg=-1.3) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.14) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 185 ASN : amide:sc= -0.0327 K(o=-0.033,f=-1.4) USER MOD Single : A 186 MET CE :methyl 171:sc= -1.49 (180deg=-1.99) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.191 8.376 -8.051 1.00 0.27 N ATOM 468 CA THR A 118 4.212 9.380 -7.887 1.00 0.26 C ATOM 469 C THR A 118 3.862 10.233 -6.695 1.00 0.25 C ATOM 470 O THR A 118 2.964 11.072 -6.753 1.00 0.32 O ATOM 471 CB THR A 118 4.345 10.251 -9.138 1.00 0.30 C ATOM 472 OG1 THR A 118 4.941 9.502 -10.204 1.00 0.32 O ATOM 473 CG2 THR A 118 5.131 11.539 -8.884 1.00 0.32 C ATOM 0 HA THR A 118 5.171 8.887 -7.729 1.00 0.26 H new ATOM 0 HB THR A 118 3.337 10.550 -9.425 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.019 10.070 -10.999 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.193 12.116 -9.807 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.625 12.129 -8.120 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.136 11.291 -8.544 1.00 0.32 H new ATOM 481 N ILE A 119 4.526 9.961 -5.597 1.00 0.19 N ATOM 482 CA ILE A 119 4.227 10.616 -4.365 1.00 0.18 C ATOM 483 C ILE A 119 5.488 11.091 -3.677 1.00 0.19 C ATOM 484 O ILE A 119 6.590 10.659 -3.976 1.00 0.20 O ATOM 485 CB ILE A 119 3.593 9.653 -3.399 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.659 8.757 -2.880 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.516 8.845 -4.002 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.325 8.262 -1.554 1.00 0.17 C ATOM 0 H ILE A 119 5.284 9.281 -5.542 1.00 0.19 H new ATOM 0 HA ILE A 119 3.568 11.448 -4.613 1.00 0.18 H new ATOM 0 HB ILE A 119 3.128 10.233 -2.602 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.797 7.917 -3.561 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.606 9.296 -2.843 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.102 8.172 -3.251 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.730 9.504 -4.371 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.919 8.261 -4.830 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.122 7.609 -1.198 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.212 9.103 -0.870 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.390 7.703 -1.599 1.00 0.17 H new ATOM 500 N SER A 120 5.275 11.822 -2.639 1.00 0.21 N ATOM 501 CA SER A 120 6.353 12.489 -1.940 1.00 0.28 C ATOM 502 C SER A 120 6.443 11.957 -0.516 1.00 0.28 C ATOM 503 O SER A 120 5.574 11.195 -0.087 1.00 0.25 O ATOM 504 CB SER A 120 6.130 14.005 -1.952 1.00 0.36 C ATOM 505 OG SER A 120 7.269 14.704 -1.478 1.00 1.29 O ATOM 0 H SER A 120 4.351 11.984 -2.238 1.00 0.21 H new ATOM 0 HA SER A 120 7.297 12.285 -2.445 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.898 14.331 -2.966 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.267 14.251 -1.333 1.00 0.36 H new ATOM 0 HG SER A 120 7.094 15.668 -1.500 1.00 1.29 H new ATOM 511 N LYS A 121 7.477 12.347 0.210 1.00 0.35 N ATOM 512 CA LYS A 121 7.686 11.860 1.573 1.00 0.40 C ATOM 513 C LYS A 121 6.467 12.138 2.456 1.00 0.36 C ATOM 514 O LYS A 121 6.010 11.269 3.189 1.00 0.38 O ATOM 515 CB LYS A 121 8.942 12.494 2.172 1.00 0.50 C ATOM 516 CG LYS A 121 9.367 11.881 3.500 1.00 1.34 C ATOM 517 CD LYS A 121 10.723 12.404 3.952 1.00 1.71 C ATOM 518 CE LYS A 121 11.806 12.102 2.923 1.00 2.46 C ATOM 519 NZ LYS A 121 13.158 12.493 3.393 1.00 3.26 N ATOM 0 H LYS A 121 8.189 13.000 -0.118 1.00 0.35 H new ATOM 0 HA LYS A 121 7.823 10.779 1.530 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.761 12.398 1.459 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.767 13.560 2.314 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.619 12.105 4.260 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.409 10.796 3.403 1.00 1.34 H new ATOM 0 HD2 LYS A 121 10.664 13.480 4.115 1.00 1.71 H new ATOM 0 HD3 LYS A 121 10.990 11.951 4.907 1.00 1.71 H new ATOM 0 HE2 LYS A 121 11.798 11.036 2.694 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.580 12.629 1.996 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 13.859 12.268 2.659 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 13.176 13.515 3.587 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 13.388 11.971 4.263 1.00 3.26 H new ATOM 533 N ASN A 122 5.931 13.342 2.371 1.00 0.37 N ATOM 534 CA ASN A 122 4.738 13.697 3.122 1.00 0.37 C ATOM 535 C ASN A 122 3.508 13.243 2.389 1.00 0.30 C ATOM 536 O ASN A 122 2.434 13.129 2.979 1.00 0.29 O ATOM 537 CB ASN A 122 4.672 15.202 3.388 1.00 0.48 C ATOM 538 CG ASN A 122 5.668 15.662 4.439 1.00 1.22 C ATOM 539 OD1 ASN A 122 6.738 15.074 4.606 1.00 2.17 O ATOM 540 ND2 ASN A 122 5.320 16.714 5.159 1.00 1.64 N ATOM 0 H ASN A 122 6.303 14.092 1.789 1.00 0.37 H new ATOM 0 HA ASN A 122 4.786 13.190 4.086 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.859 15.739 2.458 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.664 15.465 3.710 1.00 0.48 H new ATOM 0 HD21 ASN A 122 5.946 17.066 5.883 1.00 1.64 H new ATOM 0 HD22 ASN A 122 4.425 17.174 4.991 1.00 1.64 H new ATOM 547 N GLU A 123 3.659 12.954 1.105 1.00 0.27 N ATOM 548 CA GLU A 123 2.546 12.511 0.337 1.00 0.25 C ATOM 549 C GLU A 123 2.127 11.147 0.766 1.00 0.21 C ATOM 550 O GLU A 123 1.003 10.766 0.610 1.00 0.26 O ATOM 551 CB GLU A 123 2.802 12.550 -1.141 1.00 0.27 C ATOM 552 CG GLU A 123 1.968 13.604 -1.808 1.00 0.30 C ATOM 553 CD GLU A 123 2.014 13.543 -3.314 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.033 13.957 -3.897 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.017 13.099 -3.919 1.00 0.50 O ATOM 0 H GLU A 123 4.539 13.023 0.593 1.00 0.27 H new ATOM 0 HA GLU A 123 1.733 13.211 0.528 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.858 12.748 -1.325 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.579 11.576 -1.577 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.934 13.500 -1.479 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.309 14.586 -1.481 1.00 0.30 H new ATOM 562 N MET A 124 3.007 10.426 1.357 1.00 0.19 N ATOM 563 CA MET A 124 2.618 9.133 1.842 1.00 0.20 C ATOM 564 C MET A 124 2.029 9.273 3.213 1.00 0.17 C ATOM 565 O MET A 124 1.114 8.552 3.574 1.00 0.16 O ATOM 566 CB MET A 124 3.764 8.125 1.815 1.00 0.27 C ATOM 567 CG MET A 124 4.998 8.513 2.626 1.00 1.21 C ATOM 568 SD MET A 124 4.809 8.227 4.398 1.00 2.28 S ATOM 569 CE MET A 124 6.445 8.648 4.989 1.00 3.06 C ATOM 0 H MET A 124 3.979 10.689 1.519 1.00 0.19 H new ATOM 0 HA MET A 124 1.861 8.731 1.169 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.393 7.169 2.185 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.065 7.971 0.779 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.855 7.946 2.263 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.218 9.567 2.457 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.362 9.213 5.917 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.013 7.735 5.169 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.958 9.253 4.241 1.00 3.06 H new ATOM 579 N VAL A 125 2.511 10.264 3.929 1.00 0.20 N ATOM 580 CA VAL A 125 2.115 10.495 5.299 1.00 0.22 C ATOM 581 C VAL A 125 0.629 10.758 5.422 1.00 0.21 C ATOM 582 O VAL A 125 0.004 10.502 6.446 1.00 0.23 O ATOM 583 CB VAL A 125 2.894 11.682 5.869 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.074 12.421 6.911 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.216 11.203 6.433 1.00 0.32 C ATOM 0 H VAL A 125 3.192 10.936 3.575 1.00 0.20 H new ATOM 0 HA VAL A 125 2.342 9.591 5.865 1.00 0.22 H new ATOM 0 HB VAL A 125 3.101 12.390 5.066 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.651 13.260 7.300 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.156 12.792 6.455 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.825 11.742 7.727 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.768 12.051 6.838 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.032 10.478 7.226 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.801 10.734 5.642 1.00 0.32 H new ATOM 595 N LYS A 126 0.100 11.331 4.400 1.00 0.20 N ATOM 596 CA LYS A 126 -1.320 11.482 4.268 1.00 0.20 C ATOM 597 C LYS A 126 -1.927 10.189 3.777 1.00 0.16 C ATOM 598 O LYS A 126 -2.940 9.766 4.285 1.00 0.19 O ATOM 599 CB LYS A 126 -1.582 12.576 3.267 1.00 0.24 C ATOM 600 CG LYS A 126 -1.016 12.182 1.926 1.00 0.32 C ATOM 601 CD LYS A 126 -0.240 13.232 1.223 1.00 0.39 C ATOM 602 CE LYS A 126 -1.040 14.473 0.977 1.00 0.59 C ATOM 603 NZ LYS A 126 -2.170 14.229 0.039 1.00 1.51 N ATOM 0 H LYS A 126 0.637 11.714 3.622 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.764 11.734 5.231 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.654 12.756 3.182 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.128 13.508 3.605 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.374 11.312 2.065 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.839 11.871 1.282 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.641 13.484 1.813 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.116 12.839 0.271 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -1.429 14.848 1.924 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -0.391 15.248 0.570 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -2.637 15.131 -0.185 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.808 13.800 -0.837 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -2.856 13.585 0.482 1.00 1.51 H new ATOM 617 N LEU A 127 -1.274 9.563 2.803 1.00 0.15 N ATOM 618 CA LEU A 127 -1.801 8.409 2.126 1.00 0.19 C ATOM 619 C LEU A 127 -2.032 7.260 3.000 1.00 0.20 C ATOM 620 O LEU A 127 -2.993 6.565 2.771 1.00 0.24 O ATOM 621 CB LEU A 127 -0.940 8.009 0.981 1.00 0.25 C ATOM 622 CG LEU A 127 -1.492 8.562 -0.314 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.439 9.332 -1.108 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.137 7.454 -1.111 1.00 0.40 C ATOM 0 H LEU A 127 -0.356 9.854 2.467 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.777 8.722 1.756 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.075 8.375 1.136 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.882 6.922 0.924 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.264 9.295 -0.078 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.882 9.710 -2.029 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.073 10.168 -0.512 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.391 8.669 -1.350 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.533 7.859 -2.043 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.395 6.687 -1.335 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.950 7.015 -0.532 1.00 0.40 H new ATOM 636 N LEU A 128 -1.212 7.021 3.994 1.00 0.18 N ATOM 637 CA LEU A 128 -1.574 5.948 4.854 1.00 0.24 C ATOM 638 C LEU A 128 -2.876 6.296 5.564 1.00 0.26 C ATOM 639 O LEU A 128 -3.799 5.499 5.622 1.00 0.32 O ATOM 640 CB LEU A 128 -0.485 5.487 5.844 1.00 0.28 C ATOM 641 CG LEU A 128 0.482 6.487 6.448 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.642 6.709 5.558 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.179 7.764 6.701 1.00 0.21 C ATOM 0 H LEU A 128 -0.350 7.521 4.211 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.709 5.077 4.213 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.992 4.991 6.671 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.112 4.730 5.335 1.00 0.28 H new ATOM 0 HG LEU A 128 0.831 6.070 7.392 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.319 7.430 6.016 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.167 5.766 5.403 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.296 7.094 4.599 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.535 8.464 7.134 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.560 8.168 5.763 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.006 7.614 7.395 1.00 0.21 H new ATOM 655 N GLU A 129 -2.970 7.522 6.020 1.00 0.23 N ATOM 656 CA GLU A 129 -4.148 8.009 6.702 1.00 0.28 C ATOM 657 C GLU A 129 -5.292 8.023 5.732 1.00 0.25 C ATOM 658 O GLU A 129 -6.462 7.879 6.080 1.00 0.31 O ATOM 659 CB GLU A 129 -3.864 9.407 7.155 1.00 0.32 C ATOM 660 CG GLU A 129 -2.562 9.483 7.904 1.00 0.44 C ATOM 661 CD GLU A 129 -2.518 8.593 9.138 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.552 8.465 9.827 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.465 7.967 9.384 1.00 2.23 O ATOM 0 H GLU A 129 -2.227 8.215 5.928 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.400 7.376 7.553 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.829 10.072 6.292 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.675 9.757 7.794 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.750 9.202 7.234 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.384 10.516 8.204 1.00 0.44 H new ATOM 670 N ALA A 130 -4.892 8.181 4.496 1.00 0.21 N ATOM 671 CA ALA A 130 -5.784 8.357 3.401 1.00 0.25 C ATOM 672 C ALA A 130 -6.180 7.004 2.819 1.00 0.28 C ATOM 673 O ALA A 130 -7.062 6.911 1.965 1.00 0.33 O ATOM 674 CB ALA A 130 -5.098 9.220 2.347 1.00 0.26 C ATOM 0 H ALA A 130 -3.908 8.190 4.226 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.694 8.853 3.739 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.770 9.364 1.501 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.845 10.189 2.778 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.188 8.725 2.008 1.00 0.26 H new ATOM 680 N THR A 131 -5.515 5.958 3.302 1.00 0.26 N ATOM 681 CA THR A 131 -5.692 4.620 2.785 1.00 0.29 C ATOM 682 C THR A 131 -6.125 3.693 3.918 1.00 0.29 C ATOM 683 O THR A 131 -6.319 2.489 3.733 1.00 0.33 O ATOM 684 CB THR A 131 -4.396 4.109 2.120 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.650 2.913 1.369 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.349 3.840 3.171 1.00 0.28 C ATOM 0 H THR A 131 -4.840 6.023 4.064 1.00 0.26 H new ATOM 0 HA THR A 131 -6.468 4.634 2.020 1.00 0.29 H new ATOM 0 HB THR A 131 -4.032 4.877 1.438 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.382 2.414 1.787 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.438 3.480 2.693 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.134 4.760 3.715 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.717 3.085 3.866 1.00 0.28 H new ATOM 694 N GLN A 132 -6.245 4.305 5.091 1.00 0.25 N ATOM 695 CA GLN A 132 -6.616 3.649 6.343 1.00 0.25 C ATOM 696 C GLN A 132 -5.479 2.813 6.925 1.00 0.21 C ATOM 697 O GLN A 132 -5.631 1.625 7.213 1.00 0.23 O ATOM 698 CB GLN A 132 -7.885 2.810 6.210 1.00 0.32 C ATOM 699 CG GLN A 132 -9.102 3.607 5.761 1.00 0.41 C ATOM 700 CD GLN A 132 -9.323 4.850 6.601 1.00 1.38 C ATOM 701 OE1 GLN A 132 -8.818 5.928 6.281 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.074 4.713 7.680 1.00 2.15 N ATOM 0 H GLN A 132 -6.081 5.306 5.202 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.825 4.457 7.044 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.705 2.006 5.497 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.102 2.342 7.170 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.979 3.895 4.717 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -9.987 2.974 5.815 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.474 3.804 7.911 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -10.253 5.517 8.282 1.00 2.15 H new ATOM 711 N TYR A 133 -4.348 3.466 7.103 1.00 0.17 N ATOM 712 CA TYR A 133 -3.168 2.882 7.669 1.00 0.15 C ATOM 713 C TYR A 133 -2.415 4.006 8.347 1.00 0.15 C ATOM 714 O TYR A 133 -2.471 5.141 7.927 1.00 0.18 O ATOM 715 CB TYR A 133 -2.331 2.137 6.609 1.00 0.16 C ATOM 716 CG TYR A 133 -0.824 2.389 6.640 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.147 2.321 7.850 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.066 2.691 5.497 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.208 2.535 7.921 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.277 2.888 5.574 1.00 0.25 C ATOM 721 CZ TYR A 133 1.905 2.878 6.615 1.00 0.19 C ATOM 722 OH TYR A 133 3.254 3.028 6.838 1.00 0.27 O ATOM 0 H TYR A 133 -4.230 4.446 6.847 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.418 2.113 8.400 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.502 1.067 6.728 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.704 2.412 5.622 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.696 2.096 8.752 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.559 2.768 4.539 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.748 2.463 8.853 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.818 3.064 4.656 1.00 0.25 H new ATOM 0 HH TYR A 133 3.686 2.148 6.834 1.00 0.27 H new ATOM 732 N ARG A 134 -1.786 3.715 9.438 1.00 0.15 N ATOM 733 CA ARG A 134 -1.099 4.714 10.207 1.00 0.18 C ATOM 734 C ARG A 134 0.114 4.034 10.792 1.00 0.19 C ATOM 735 O ARG A 134 0.150 2.805 10.782 1.00 0.18 O ATOM 736 CB ARG A 134 -2.029 5.179 11.301 1.00 0.18 C ATOM 737 CG ARG A 134 -3.437 5.431 10.785 1.00 0.22 C ATOM 738 CD ARG A 134 -4.241 4.149 10.793 1.00 0.25 C ATOM 739 NE ARG A 134 -4.702 3.792 12.131 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.849 2.541 12.550 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.629 1.536 11.713 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.228 2.297 13.796 1.00 0.49 N ATOM 0 H ARG A 134 -1.731 2.774 9.828 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.800 5.577 9.613 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -2.062 4.429 12.092 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.637 6.094 11.745 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.929 6.180 11.405 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.393 5.834 9.773 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -5.101 4.258 10.132 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.632 3.338 10.393 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.924 4.546 12.781 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.348 1.726 10.751 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.741 0.573 12.031 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.407 3.071 14.435 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.340 1.335 14.116 1.00 0.49 H new ATOM 756 N GLN A 135 1.093 4.778 11.280 1.00 0.22 N ATOM 757 CA GLN A 135 2.308 4.159 11.800 1.00 0.25 C ATOM 758 C GLN A 135 2.024 3.050 12.772 1.00 0.24 C ATOM 759 O GLN A 135 0.955 2.973 13.391 1.00 0.30 O ATOM 760 CB GLN A 135 3.209 5.159 12.493 1.00 0.35 C ATOM 761 CG GLN A 135 2.899 5.307 13.963 1.00 0.88 C ATOM 762 CD GLN A 135 3.300 6.652 14.538 1.00 1.36 C ATOM 763 OE1 GLN A 135 3.650 6.751 15.714 1.00 1.87 O ATOM 764 NE2 GLN A 135 3.231 7.701 13.730 1.00 1.96 N ATOM 0 H GLN A 135 1.075 5.797 11.328 1.00 0.22 H new ATOM 0 HA GLN A 135 2.809 3.753 10.921 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.247 4.848 12.375 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.109 6.129 12.006 1.00 0.35 H new ATOM 0 HG2 GLN A 135 1.830 5.160 14.116 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.411 4.519 14.515 1.00 0.88 H new ATOM 0 HE21 GLN A 135 2.937 7.580 12.761 1.00 1.96 H new ATOM 0 HE22 GLN A 135 3.472 8.629 14.077 1.00 1.96 H new ATOM 773 N VAL A 136 3.026 2.228 12.947 1.00 0.23 N ATOM 774 CA VAL A 136 2.848 1.026 13.679 1.00 0.24 C ATOM 775 C VAL A 136 4.113 0.621 14.430 1.00 0.27 C ATOM 776 O VAL A 136 5.229 0.955 14.029 1.00 0.27 O ATOM 777 CB VAL A 136 2.372 -0.101 12.726 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.771 -1.484 13.188 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.877 -0.040 12.537 1.00 0.20 C ATOM 0 H VAL A 136 3.969 2.379 12.588 1.00 0.23 H new ATOM 0 HA VAL A 136 2.081 1.197 14.435 1.00 0.24 H new ATOM 0 HB VAL A 136 2.875 0.076 11.775 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.407 -2.225 12.476 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.857 -1.547 13.253 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.337 -1.679 14.169 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.562 -0.839 11.865 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.383 -0.161 13.501 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.604 0.924 12.108 1.00 0.20 H new ATOM 789 N SER A 137 3.911 -0.075 15.533 1.00 0.31 N ATOM 790 CA SER A 137 4.987 -0.655 16.311 1.00 0.35 C ATOM 791 C SER A 137 5.796 -1.632 15.499 1.00 0.33 C ATOM 792 O SER A 137 7.025 -1.569 15.442 1.00 0.35 O ATOM 793 CB SER A 137 4.353 -1.414 17.443 1.00 0.39 C ATOM 794 OG SER A 137 3.898 -0.547 18.468 1.00 0.73 O ATOM 0 H SER A 137 2.984 -0.255 15.918 1.00 0.31 H new ATOM 0 HA SER A 137 5.649 0.141 16.652 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.516 -2.000 17.064 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.074 -2.119 17.857 1.00 0.39 H new ATOM 0 HG SER A 137 3.490 -1.075 19.186 1.00 0.73 H new ATOM 800 N LYS A 138 5.079 -2.520 14.869 1.00 0.30 N ATOM 801 CA LYS A 138 5.655 -3.555 14.070 1.00 0.30 C ATOM 802 C LYS A 138 4.621 -4.052 13.114 1.00 0.27 C ATOM 803 O LYS A 138 3.561 -4.552 13.498 1.00 0.28 O ATOM 804 CB LYS A 138 6.144 -4.672 14.935 1.00 0.35 C ATOM 805 CG LYS A 138 5.086 -5.174 15.861 1.00 0.37 C ATOM 806 CD LYS A 138 5.493 -6.487 16.505 1.00 0.43 C ATOM 807 CE LYS A 138 5.754 -7.542 15.439 1.00 0.44 C ATOM 808 NZ LYS A 138 6.134 -8.855 16.018 1.00 0.51 N ATOM 0 H LYS A 138 4.060 -2.542 14.900 1.00 0.30 H new ATOM 0 HA LYS A 138 6.508 -3.160 13.518 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.492 -5.491 14.305 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.001 -4.331 15.516 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.895 -4.431 16.635 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.154 -5.309 15.312 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.389 -6.341 17.108 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.707 -6.828 17.179 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.860 -7.664 14.827 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.549 -7.197 14.778 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.301 -9.537 15.251 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.002 -8.748 16.581 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.366 -9.201 16.628 1.00 0.51 H new ATOM 822 N MET A 139 4.907 -3.867 11.872 1.00 0.25 N ATOM 823 CA MET A 139 3.922 -4.059 10.867 1.00 0.25 C ATOM 824 C MET A 139 3.706 -5.524 10.567 1.00 0.26 C ATOM 825 O MET A 139 4.483 -6.202 9.892 1.00 0.30 O ATOM 826 CB MET A 139 4.320 -3.271 9.637 1.00 0.33 C ATOM 827 CG MET A 139 5.448 -3.877 8.834 1.00 0.70 C ATOM 828 SD MET A 139 6.934 -4.178 9.825 1.00 2.16 S ATOM 829 CE MET A 139 8.000 -4.966 8.626 1.00 2.71 C ATOM 0 H MET A 139 5.823 -3.581 11.527 1.00 0.25 H new ATOM 0 HA MET A 139 2.962 -3.688 11.225 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.448 -3.167 8.991 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.610 -2.266 9.944 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.112 -4.817 8.397 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.697 -3.212 8.007 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.729 -5.591 9.142 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.401 -5.584 7.958 1.00 2.71 H new ATOM 0 HE3 MET A 139 8.521 -4.204 8.046 1.00 2.71 H new ATOM 839 N THR A 140 2.652 -6.012 11.140 1.00 0.25 N ATOM 840 CA THR A 140 2.037 -7.201 10.653 1.00 0.26 C ATOM 841 C THR A 140 0.614 -7.232 11.122 1.00 0.27 C ATOM 842 O THR A 140 0.274 -7.824 12.144 1.00 0.30 O ATOM 843 CB THR A 140 2.815 -8.410 11.174 1.00 0.31 C ATOM 844 OG1 THR A 140 2.139 -9.636 10.867 1.00 0.35 O ATOM 845 CG2 THR A 140 3.045 -8.277 12.674 1.00 0.34 C ATOM 0 H THR A 140 2.197 -5.599 11.954 1.00 0.25 H new ATOM 0 HA THR A 140 2.047 -7.227 9.563 1.00 0.26 H new ATOM 0 HB THR A 140 3.783 -8.436 10.673 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.660 -10.392 11.211 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.600 -9.143 13.035 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.616 -7.370 12.876 1.00 0.34 H new ATOM 0 HG23 THR A 140 2.084 -8.222 13.186 1.00 0.34 H new ATOM 853 N ARG A 141 -0.225 -6.680 10.286 1.00 0.25 N ATOM 854 CA ARG A 141 -1.646 -6.688 10.480 1.00 0.28 C ATOM 855 C ARG A 141 -2.270 -6.577 9.114 1.00 0.30 C ATOM 856 O ARG A 141 -1.820 -5.742 8.337 1.00 0.45 O ATOM 857 CB ARG A 141 -2.098 -5.502 11.341 1.00 0.30 C ATOM 858 CG ARG A 141 -1.070 -5.031 12.346 1.00 0.38 C ATOM 859 CD ARG A 141 -1.091 -5.917 13.552 1.00 1.01 C ATOM 860 NE ARG A 141 -0.345 -5.350 14.673 1.00 1.20 N ATOM 861 CZ ARG A 141 0.303 -6.083 15.579 1.00 1.74 C ATOM 862 NH1 ARG A 141 0.260 -7.409 15.518 1.00 2.38 N ATOM 863 NH2 ARG A 141 0.984 -5.489 16.550 1.00 1.97 N ATOM 0 H ARG A 141 0.069 -6.203 9.434 1.00 0.25 H new ATOM 0 HA ARG A 141 -1.947 -7.600 10.995 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.355 -4.670 10.685 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.007 -5.781 11.873 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.078 -5.040 11.895 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.279 -4.002 12.637 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.124 -6.088 13.856 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.670 -6.888 13.293 1.00 1.01 H new ATOM 0 HE ARG A 141 -0.318 -4.335 14.768 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.269 -7.869 14.777 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.756 -7.968 16.212 1.00 2.38 H new ATOM 0 HH21 ARG A 141 1.012 -4.471 16.604 1.00 1.97 H new ATOM 0 HH22 ARG A 141 1.479 -6.050 17.243 1.00 1.97 H new ATOM 877 N PRO A 142 -3.282 -7.353 8.753 1.00 0.36 N ATOM 878 CA PRO A 142 -3.913 -7.120 7.470 1.00 0.39 C ATOM 879 C PRO A 142 -4.568 -5.741 7.456 1.00 0.32 C ATOM 880 O PRO A 142 -5.586 -5.515 8.111 1.00 0.37 O ATOM 881 CB PRO A 142 -4.964 -8.227 7.369 1.00 0.53 C ATOM 882 CG PRO A 142 -5.173 -8.704 8.773 1.00 0.79 C ATOM 883 CD PRO A 142 -3.878 -8.467 9.500 1.00 0.55 C ATOM 0 HA PRO A 142 -3.212 -7.139 6.635 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -5.892 -7.850 6.940 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -4.621 -9.037 6.725 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -5.990 -8.163 9.249 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -5.439 -9.761 8.788 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.043 -8.209 10.546 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -3.239 -9.350 9.486 1.00 0.55 H new ATOM 891 N GLY A 143 -3.983 -4.831 6.695 1.00 0.27 N ATOM 892 CA GLY A 143 -4.557 -3.501 6.553 1.00 0.27 C ATOM 893 C GLY A 143 -3.899 -2.441 7.438 1.00 0.26 C ATOM 894 O GLY A 143 -4.264 -1.270 7.364 1.00 0.38 O ATOM 0 H GLY A 143 -3.121 -4.984 6.171 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.476 -3.191 5.511 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.620 -3.548 6.790 1.00 0.27 H new ATOM 898 N GLU A 144 -2.915 -2.826 8.250 1.00 0.17 N ATOM 899 CA GLU A 144 -2.237 -1.861 9.128 1.00 0.14 C ATOM 900 C GLU A 144 -0.755 -1.954 8.856 1.00 0.11 C ATOM 901 O GLU A 144 -0.202 -3.055 8.851 1.00 0.12 O ATOM 902 CB GLU A 144 -2.470 -2.168 10.606 1.00 0.18 C ATOM 903 CG GLU A 144 -3.856 -2.706 10.949 1.00 0.40 C ATOM 904 CD GLU A 144 -4.908 -1.633 11.107 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.932 -0.967 12.161 1.00 1.49 O ATOM 906 OE2 GLU A 144 -5.702 -1.433 10.163 1.00 1.44 O ATOM 0 H GLU A 144 -2.570 -3.783 8.322 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.635 -0.867 8.922 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.725 -2.895 10.931 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.299 -1.258 11.181 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.171 -3.397 10.167 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -3.794 -3.279 11.874 1.00 0.40 H new ATOM 913 N PHE A 145 -0.087 -0.829 8.660 1.00 0.10 N ATOM 914 CA PHE A 145 1.282 -0.893 8.152 1.00 0.10 C ATOM 915 C PHE A 145 2.199 -0.029 9.005 1.00 0.09 C ATOM 916 O PHE A 145 1.732 0.668 9.891 1.00 0.10 O ATOM 917 CB PHE A 145 1.359 -0.453 6.670 1.00 0.16 C ATOM 918 CG PHE A 145 0.229 -0.912 5.753 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.416 -2.114 5.988 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.185 -0.161 4.671 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.435 -2.556 5.167 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.204 -0.594 3.846 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.841 -1.710 4.064 1.00 0.27 C ATOM 0 H PHE A 145 -0.449 0.108 8.836 1.00 0.10 H new ATOM 0 HA PHE A 145 1.611 -1.931 8.209 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.398 0.636 6.641 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.300 -0.817 6.257 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.116 -2.719 6.831 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.297 0.783 4.466 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.916 -3.507 5.343 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.481 0.010 2.995 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.664 -2.001 3.428 1.00 0.27 H new ATOM 933 N THR A 146 3.495 -0.053 8.737 1.00 0.09 N ATOM 934 CA THR A 146 4.419 0.744 9.508 1.00 0.12 C ATOM 935 C THR A 146 5.014 1.831 8.661 1.00 0.12 C ATOM 936 O THR A 146 5.475 1.585 7.541 1.00 0.15 O ATOM 937 CB THR A 146 5.584 -0.049 10.082 1.00 0.15 C ATOM 938 OG1 THR A 146 6.147 -0.906 9.084 1.00 0.16 O ATOM 939 CG2 THR A 146 5.175 -0.836 11.294 1.00 0.19 C ATOM 0 H THR A 146 3.922 -0.612 7.998 1.00 0.09 H new ATOM 0 HA THR A 146 3.824 1.142 10.330 1.00 0.12 H new ATOM 0 HB THR A 146 6.346 0.663 10.399 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.896 -1.408 9.468 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.033 -1.389 11.675 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.811 -0.156 12.064 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.384 -1.535 11.024 1.00 0.19 H new ATOM 947 N VAL A 147 5.040 3.009 9.214 1.00 0.14 N ATOM 948 CA VAL A 147 5.475 4.171 8.477 1.00 0.15 C ATOM 949 C VAL A 147 6.782 4.749 9.028 1.00 0.23 C ATOM 950 O VAL A 147 7.096 4.575 10.208 1.00 0.29 O ATOM 951 CB VAL A 147 4.359 5.221 8.477 1.00 0.28 C ATOM 952 CG1 VAL A 147 4.462 6.172 9.648 1.00 0.86 C ATOM 953 CG2 VAL A 147 4.355 5.942 7.163 1.00 0.73 C ATOM 0 H VAL A 147 4.764 3.196 10.178 1.00 0.14 H new ATOM 0 HA VAL A 147 5.683 3.868 7.451 1.00 0.15 H new ATOM 0 HB VAL A 147 3.404 4.710 8.600 1.00 0.28 H new ATOM 0 HG11 VAL A 147 3.648 6.896 9.601 1.00 0.86 H new ATOM 0 HG12 VAL A 147 4.395 5.610 10.580 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.417 6.696 9.608 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.562 6.690 7.161 1.00 0.73 H new ATOM 0 HG22 VAL A 147 5.317 6.433 7.014 1.00 0.73 H new ATOM 0 HG23 VAL A 147 4.184 5.229 6.357 1.00 0.73 H new ATOM 963 N GLN A 148 7.552 5.425 8.166 1.00 0.37 N ATOM 964 CA GLN A 148 8.797 6.064 8.592 1.00 0.51 C ATOM 965 C GLN A 148 9.169 7.274 7.719 1.00 0.58 C ATOM 966 O GLN A 148 8.827 8.405 8.068 1.00 1.16 O ATOM 967 CB GLN A 148 9.944 5.049 8.663 1.00 0.57 C ATOM 968 CG GLN A 148 9.862 3.941 7.626 1.00 1.20 C ATOM 969 CD GLN A 148 10.980 2.925 7.762 1.00 1.71 C ATOM 970 OE1 GLN A 148 11.409 2.328 6.778 1.00 2.45 O ATOM 971 NE2 GLN A 148 11.457 2.721 8.981 1.00 2.15 N ATOM 0 H GLN A 148 7.334 5.542 7.176 1.00 0.37 H new ATOM 0 HA GLN A 148 8.625 6.450 9.597 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.889 5.577 8.540 1.00 0.57 H new ATOM 0 HB3 GLN A 148 9.956 4.601 9.657 1.00 0.57 H new ATOM 0 HG2 GLN A 148 8.902 3.433 7.719 1.00 1.20 H new ATOM 0 HG3 GLN A 148 9.895 4.380 6.629 1.00 1.20 H new ATOM 0 HE21 GLN A 148 11.073 3.238 9.772 1.00 2.15 H new ATOM 0 HE22 GLN A 148 12.208 2.047 9.128 1.00 2.15 H new ATOM 980 N ALA A 149 9.850 7.067 6.587 1.00 0.40 N ATOM 981 CA ALA A 149 10.318 8.202 5.786 1.00 0.39 C ATOM 982 C ALA A 149 10.294 7.927 4.279 1.00 0.31 C ATOM 983 O ALA A 149 9.278 8.141 3.623 1.00 0.37 O ATOM 984 CB ALA A 149 11.714 8.622 6.226 1.00 0.49 C ATOM 0 H ALA A 149 10.085 6.148 6.212 1.00 0.40 H new ATOM 0 HA ALA A 149 9.618 9.018 5.964 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.047 9.466 5.622 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.692 8.914 7.276 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.403 7.788 6.096 1.00 0.49 H new ATOM 990 N ASN A 150 11.412 7.440 3.739 1.00 0.26 N ATOM 991 CA ASN A 150 11.555 7.249 2.289 1.00 0.24 C ATOM 992 C ASN A 150 10.928 5.968 1.845 1.00 0.19 C ATOM 993 O ASN A 150 10.884 5.672 0.656 1.00 0.20 O ATOM 994 CB ASN A 150 13.005 7.166 1.876 1.00 0.28 C ATOM 995 CG ASN A 150 13.786 8.432 2.151 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.245 9.534 2.096 1.00 1.02 O ATOM 997 ND2 ASN A 150 15.066 8.283 2.450 1.00 1.00 N ATOM 0 H ASN A 150 12.233 7.170 4.281 1.00 0.26 H new ATOM 0 HA ASN A 150 11.067 8.110 1.831 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.477 6.336 2.402 1.00 0.28 H new ATOM 0 HB3 ASN A 150 13.059 6.940 0.811 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.643 9.101 2.646 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.476 7.350 2.485 1.00 1.00 H new ATOM 1004 N SER A 151 10.497 5.177 2.781 1.00 0.17 N ATOM 1005 CA SER A 151 9.812 3.976 2.429 1.00 0.20 C ATOM 1006 C SER A 151 8.812 3.600 3.514 1.00 0.20 C ATOM 1007 O SER A 151 9.030 3.860 4.697 1.00 0.27 O ATOM 1008 CB SER A 151 10.810 2.838 2.196 1.00 0.27 C ATOM 1009 OG SER A 151 11.667 2.662 3.312 1.00 0.94 O ATOM 0 H SER A 151 10.607 5.341 3.782 1.00 0.17 H new ATOM 0 HA SER A 151 9.266 4.146 1.501 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.269 1.912 2.002 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.406 3.051 1.308 1.00 0.27 H new ATOM 0 HG SER A 151 12.311 1.949 3.120 1.00 0.94 H new ATOM 1015 N ILE A 152 7.706 3.029 3.096 1.00 0.18 N ATOM 1016 CA ILE A 152 6.715 2.497 3.995 1.00 0.17 C ATOM 1017 C ILE A 152 6.726 0.987 3.899 1.00 0.17 C ATOM 1018 O ILE A 152 7.257 0.424 2.947 1.00 0.19 O ATOM 1019 CB ILE A 152 5.325 3.045 3.626 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.144 4.420 4.242 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.191 2.121 4.049 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.775 4.981 3.996 1.00 0.20 C ATOM 0 H ILE A 152 7.469 2.921 2.110 1.00 0.18 H new ATOM 0 HA ILE A 152 6.944 2.797 5.018 1.00 0.17 H new ATOM 0 HB ILE A 152 5.279 3.112 2.539 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.322 4.360 5.316 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.891 5.100 3.833 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.236 2.562 3.762 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.307 1.155 3.558 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.217 1.985 5.130 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.697 5.966 4.457 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.605 5.068 2.923 1.00 0.20 H new ATOM 0 HD13 ILE A 152 3.027 4.317 4.429 1.00 0.20 H new ATOM 1034 N GLU A 153 6.162 0.324 4.870 1.00 0.16 N ATOM 1035 CA GLU A 153 5.904 -1.077 4.707 1.00 0.14 C ATOM 1036 C GLU A 153 4.421 -1.233 4.536 1.00 0.23 C ATOM 1037 O GLU A 153 3.676 -0.649 5.294 1.00 0.56 O ATOM 1038 CB GLU A 153 6.300 -1.905 5.905 1.00 0.18 C ATOM 1039 CG GLU A 153 6.173 -3.379 5.593 1.00 0.27 C ATOM 1040 CD GLU A 153 7.502 -4.078 5.382 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.527 -5.324 5.418 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.527 -3.391 5.195 1.00 0.72 O ATOM 0 H GLU A 153 5.877 0.722 5.765 1.00 0.16 H new ATOM 0 HA GLU A 153 6.489 -1.425 3.856 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.326 -1.675 6.191 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.667 -1.651 6.756 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.641 -3.869 6.409 1.00 0.27 H new ATOM 0 HG3 GLU A 153 5.564 -3.500 4.697 1.00 0.27 H new ATOM 1049 N MET A 154 3.983 -1.992 3.567 1.00 0.13 N ATOM 1050 CA MET A 154 2.557 -2.206 3.393 1.00 0.13 C ATOM 1051 C MET A 154 2.201 -3.683 3.346 1.00 0.15 C ATOM 1052 O MET A 154 2.720 -4.422 2.522 1.00 0.18 O ATOM 1053 CB MET A 154 2.084 -1.549 2.098 1.00 0.19 C ATOM 1054 CG MET A 154 0.711 -2.028 1.659 1.00 0.94 C ATOM 1055 SD MET A 154 0.446 -1.881 -0.112 1.00 0.73 S ATOM 1056 CE MET A 154 -1.192 -2.592 -0.250 1.00 1.32 C ATOM 0 H MET A 154 4.578 -2.470 2.890 1.00 0.13 H new ATOM 0 HA MET A 154 2.060 -1.759 4.254 1.00 0.13 H new ATOM 0 HB2 MET A 154 2.060 -0.468 2.233 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.805 -1.756 1.307 1.00 0.19 H new ATOM 0 HG2 MET A 154 0.585 -3.070 1.954 1.00 0.94 H new ATOM 0 HG3 MET A 154 -0.052 -1.453 2.183 1.00 0.94 H new ATOM 0 HE1 MET A 154 -1.508 -2.577 -1.293 1.00 1.32 H new ATOM 0 HE2 MET A 154 -1.173 -3.621 0.109 1.00 1.32 H new ATOM 0 HE3 MET A 154 -1.893 -2.011 0.350 1.00 1.32 H new ATOM 1066 N ILE A 155 1.300 -4.106 4.222 1.00 0.16 N ATOM 1067 CA ILE A 155 0.707 -5.423 4.107 1.00 0.19 C ATOM 1068 C ILE A 155 -0.244 -5.440 2.919 1.00 0.27 C ATOM 1069 O ILE A 155 -1.064 -4.537 2.763 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.083 -5.841 5.359 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.437 -5.115 6.611 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.014 -7.356 5.515 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.406 -5.897 7.449 1.00 0.24 C ATOM 0 H ILE A 155 0.968 -3.557 5.015 1.00 0.16 H new ATOM 0 HA ILE A 155 1.528 -6.128 3.980 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.129 -5.557 5.242 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.917 -4.187 6.300 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.416 -4.840 7.232 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.542 -7.667 6.399 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.406 -7.840 4.633 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.060 -7.644 5.624 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.712 -5.297 8.306 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.929 -6.813 7.798 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.282 -6.150 6.852 1.00 0.24 H new ATOM 1297 N VAL A 169 0.208 -11.038 3.915 1.00 0.38 N ATOM 1298 CA VAL A 169 1.474 -10.817 3.266 1.00 0.32 C ATOM 1299 C VAL A 169 1.798 -9.364 3.291 1.00 0.26 C ATOM 1300 O VAL A 169 0.918 -8.542 3.135 1.00 0.29 O ATOM 1301 CB VAL A 169 1.456 -11.209 1.800 1.00 0.38 C ATOM 1302 CG1 VAL A 169 2.754 -10.745 1.158 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.234 -12.700 1.655 1.00 0.48 C ATOM 0 HA VAL A 169 2.201 -11.426 3.804 1.00 0.32 H new ATOM 0 HB VAL A 169 0.628 -10.724 1.284 1.00 0.38 H new ATOM 0 HG11 VAL A 169 2.757 -11.020 0.103 1.00 0.36 H new ATOM 0 HG12 VAL A 169 2.839 -9.662 1.251 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.598 -11.220 1.659 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.224 -12.965 0.598 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.039 -13.238 2.156 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.280 -12.971 2.106 1.00 0.48 H new ATOM 1313 N ARG A 170 3.052 -9.050 3.407 1.00 0.23 N ATOM 1314 CA ARG A 170 3.446 -7.680 3.426 1.00 0.20 C ATOM 1315 C ARG A 170 4.580 -7.371 2.492 1.00 0.19 C ATOM 1316 O ARG A 170 5.462 -8.192 2.231 1.00 0.25 O ATOM 1317 CB ARG A 170 3.730 -7.255 4.829 1.00 0.26 C ATOM 1318 CG ARG A 170 4.551 -8.254 5.600 1.00 0.23 C ATOM 1319 CD ARG A 170 6.021 -8.226 5.242 1.00 0.39 C ATOM 1320 NE ARG A 170 6.846 -8.836 6.284 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.110 -10.142 6.376 1.00 0.96 C ATOM 1322 NH1 ARG A 170 6.590 -11.001 5.506 1.00 1.39 N ATOM 1323 NH2 ARG A 170 7.886 -10.591 7.353 1.00 1.61 N ATOM 0 H ARG A 170 3.815 -9.722 3.489 1.00 0.23 H new ATOM 0 HA ARG A 170 2.610 -7.092 3.046 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.255 -6.300 4.813 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.786 -7.092 5.350 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.440 -8.058 6.667 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.159 -9.254 5.417 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.176 -8.753 4.301 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.337 -7.195 5.085 1.00 0.39 H new ATOM 0 HE ARG A 170 7.248 -8.220 6.991 1.00 0.93 H new ATOM 0 HH11 ARG A 170 5.983 -10.665 4.759 1.00 1.39 H new ATOM 0 HH12 ARG A 170 6.798 -11.996 5.585 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.280 -9.939 8.032 1.00 1.61 H new ATOM 0 HH22 ARG A 170 8.089 -11.588 7.426 1.00 1.61 H new ATOM 1337 N ALA A 171 4.492 -6.187 1.960 1.00 0.17 N ATOM 1338 CA ALA A 171 5.450 -5.679 1.017 1.00 0.16 C ATOM 1339 C ALA A 171 6.171 -4.464 1.577 1.00 0.16 C ATOM 1340 O ALA A 171 5.736 -3.866 2.556 1.00 0.20 O ATOM 1341 CB ALA A 171 4.749 -5.326 -0.282 1.00 0.16 C ATOM 0 H ALA A 171 3.738 -5.533 2.172 1.00 0.17 H new ATOM 0 HA ALA A 171 6.195 -6.451 0.825 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.477 -4.941 -0.996 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.274 -6.217 -0.693 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.991 -4.566 -0.092 1.00 0.16 H new ATOM 1347 N ARG A 172 7.259 -4.094 0.931 1.00 0.16 N ATOM 1348 CA ARG A 172 8.045 -2.956 1.347 1.00 0.18 C ATOM 1349 C ARG A 172 7.977 -1.933 0.259 1.00 0.18 C ATOM 1350 O ARG A 172 8.484 -2.115 -0.847 1.00 0.22 O ATOM 1351 CB ARG A 172 9.485 -3.343 1.689 1.00 0.24 C ATOM 1352 CG ARG A 172 10.490 -2.190 1.675 1.00 0.79 C ATOM 1353 CD ARG A 172 10.073 -1.020 2.562 1.00 1.08 C ATOM 1354 NE ARG A 172 9.793 -1.423 3.936 1.00 1.97 N ATOM 1355 CZ ARG A 172 10.053 -0.675 5.007 1.00 2.59 C ATOM 1356 NH1 ARG A 172 10.649 0.508 4.884 1.00 2.48 N ATOM 1357 NH2 ARG A 172 9.710 -1.126 6.203 1.00 3.69 N ATOM 0 H ARG A 172 7.620 -4.574 0.106 1.00 0.16 H new ATOM 0 HA ARG A 172 7.636 -2.541 2.268 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.496 -3.801 2.678 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.818 -4.103 0.982 1.00 0.24 H new ATOM 0 HG2 ARG A 172 11.461 -2.559 2.004 1.00 0.79 H new ATOM 0 HG3 ARG A 172 10.613 -1.836 0.651 1.00 0.79 H new ATOM 0 HD2 ARG A 172 10.864 -0.270 2.562 1.00 1.08 H new ATOM 0 HD3 ARG A 172 9.186 -0.547 2.139 1.00 1.08 H new ATOM 0 HE ARG A 172 9.370 -2.339 4.086 1.00 1.97 H new ATOM 0 HH11 ARG A 172 10.913 0.853 3.961 1.00 2.48 H new ATOM 0 HH12 ARG A 172 10.842 1.070 5.713 1.00 2.48 H new ATOM 0 HH21 ARG A 172 9.254 -2.034 6.294 1.00 3.69 H new ATOM 0 HH22 ARG A 172 9.902 -0.566 7.034 1.00 3.69 H new ATOM 1371 N LEU A 173 7.323 -0.874 0.597 1.00 0.20 N ATOM 1372 CA LEU A 173 6.890 0.097 -0.347 1.00 0.24 C ATOM 1373 C LEU A 173 7.725 1.363 -0.211 1.00 0.25 C ATOM 1374 O LEU A 173 7.733 2.007 0.816 1.00 0.48 O ATOM 1375 CB LEU A 173 5.412 0.322 -0.073 1.00 0.37 C ATOM 1376 CG LEU A 173 4.970 1.751 -0.116 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.761 2.200 -1.527 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.745 1.949 0.754 1.00 0.54 C ATOM 0 H LEU A 173 7.069 -0.655 1.560 1.00 0.20 H new ATOM 0 HA LEU A 173 7.022 -0.231 -1.378 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.833 -0.244 -0.803 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.174 -0.087 0.909 1.00 0.37 H new ATOM 0 HG LEU A 173 5.757 2.383 0.295 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.440 3.242 -1.534 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.695 2.104 -2.081 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.996 1.582 -1.996 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.435 2.993 0.713 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.935 1.315 0.392 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.983 1.681 1.783 1.00 0.54 H new ATOM 1390 N THR A 174 8.428 1.713 -1.253 1.00 0.17 N ATOM 1391 CA THR A 174 9.425 2.756 -1.172 1.00 0.15 C ATOM 1392 C THR A 174 9.072 3.965 -1.998 1.00 0.13 C ATOM 1393 O THR A 174 8.385 3.864 -3.007 1.00 0.12 O ATOM 1394 CB THR A 174 10.781 2.214 -1.608 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.204 1.165 -0.729 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.790 3.327 -1.629 1.00 0.20 C ATOM 0 H THR A 174 8.331 1.290 -2.176 1.00 0.17 H new ATOM 0 HA THR A 174 9.465 3.077 -0.131 1.00 0.15 H new ATOM 0 HB THR A 174 10.694 1.801 -2.613 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.075 0.825 -1.021 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.758 2.935 -1.941 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.467 4.097 -2.329 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.878 3.757 -0.631 1.00 0.20 H new ATOM 1404 N PHE A 175 9.552 5.109 -1.536 1.00 0.16 N ATOM 1405 CA PHE A 175 9.320 6.366 -2.184 1.00 0.17 C ATOM 1406 C PHE A 175 10.611 6.989 -2.716 1.00 0.19 C ATOM 1407 O PHE A 175 11.459 7.423 -1.940 1.00 0.32 O ATOM 1408 CB PHE A 175 8.714 7.314 -1.182 1.00 0.30 C ATOM 1409 CG PHE A 175 7.722 6.666 -0.289 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.515 6.243 -0.788 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.988 6.504 1.051 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.587 5.668 0.039 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.069 5.929 1.884 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.903 5.417 1.351 1.00 0.15 C ATOM 0 H PHE A 175 10.118 5.179 -0.691 1.00 0.16 H new ATOM 0 HA PHE A 175 8.656 6.191 -3.030 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.509 7.749 -0.576 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.233 8.135 -1.713 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.296 6.364 -1.839 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.935 6.835 1.450 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.609 5.413 -0.340 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.253 5.876 2.947 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.242 4.822 1.964 1.00 0.15 H new ATOM 1424 N ASP A 176 10.733 7.066 -4.031 1.00 0.16 N ATOM 1425 CA ASP A 176 11.924 7.646 -4.667 1.00 0.20 C ATOM 1426 C ASP A 176 11.636 9.056 -5.172 1.00 0.19 C ATOM 1427 O ASP A 176 11.052 9.239 -6.238 1.00 0.20 O ATOM 1428 CB ASP A 176 12.392 6.775 -5.839 1.00 0.29 C ATOM 1429 CG ASP A 176 13.606 7.340 -6.552 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.438 7.976 -7.612 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.737 7.139 -6.062 1.00 0.68 O ATOM 0 H ASP A 176 10.025 6.736 -4.687 1.00 0.16 H new ATOM 0 HA ASP A 176 12.712 7.689 -3.915 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.626 5.776 -5.471 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.576 6.668 -6.553 1.00 0.29 H new ATOM 1436 N GLY A 177 12.024 10.048 -4.398 1.00 0.21 N ATOM 1437 CA GLY A 177 11.867 11.420 -4.841 1.00 0.23 C ATOM 1438 C GLY A 177 10.493 11.975 -4.554 1.00 0.23 C ATOM 1439 O GLY A 177 10.058 12.017 -3.404 1.00 0.27 O ATOM 0 H GLY A 177 12.443 9.936 -3.475 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.615 12.043 -4.350 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.059 11.475 -5.912 1.00 0.23 H new ATOM 1443 N ASP A 178 9.802 12.381 -5.609 1.00 0.22 N ATOM 1444 CA ASP A 178 8.465 12.941 -5.485 1.00 0.26 C ATOM 1445 C ASP A 178 7.525 11.948 -6.076 1.00 0.23 C ATOM 1446 O ASP A 178 6.365 12.243 -6.349 1.00 0.25 O ATOM 1447 CB ASP A 178 8.319 14.253 -6.242 1.00 0.34 C ATOM 1448 CG ASP A 178 7.544 15.296 -5.457 1.00 1.10 C ATOM 1449 OD1 ASP A 178 8.113 15.896 -4.524 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.350 15.507 -5.769 1.00 1.34 O ATOM 0 H ASP A 178 10.149 12.332 -6.567 1.00 0.22 H new ATOM 0 HA ASP A 178 8.259 13.144 -4.434 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.309 14.643 -6.479 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.814 14.067 -7.190 1.00 0.34 H new ATOM 1455 N HIS A 179 8.056 10.754 -6.270 1.00 0.19 N ATOM 1456 CA HIS A 179 7.306 9.667 -6.824 1.00 0.17 C ATOM 1457 C HIS A 179 7.605 8.364 -6.119 1.00 0.13 C ATOM 1458 O HIS A 179 8.624 8.213 -5.457 1.00 0.13 O ATOM 1459 CB HIS A 179 7.607 9.555 -8.323 1.00 0.22 C ATOM 1460 CG HIS A 179 9.019 9.161 -8.677 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.970 10.069 -9.093 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.629 7.950 -8.702 1.00 0.93 C ATOM 1463 CE1 HIS A 179 11.098 9.435 -9.355 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.920 8.150 -9.127 1.00 0.45 N ATOM 0 H HIS A 179 9.023 10.521 -6.044 1.00 0.19 H new ATOM 0 HA HIS A 179 6.245 9.871 -6.680 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.925 8.825 -8.759 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.388 10.514 -8.792 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.182 7.003 -8.437 1.00 0.93 H new ATOM 0 HE1 HIS A 179 12.014 9.893 -9.699 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.625 7.423 -9.246 1.00 0.45 H new ATOM 1473 N LEU A 180 6.683 7.432 -6.254 1.00 0.13 N ATOM 1474 CA LEU A 180 6.842 6.121 -5.658 1.00 0.12 C ATOM 1475 C LEU A 180 7.978 5.372 -6.298 1.00 0.14 C ATOM 1476 O LEU A 180 8.146 5.376 -7.518 1.00 0.22 O ATOM 1477 CB LEU A 180 5.565 5.308 -5.791 1.00 0.17 C ATOM 1478 CG LEU A 180 5.396 4.254 -4.719 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.641 4.881 -3.374 1.00 0.14 C ATOM 1480 CD2 LEU A 180 4.014 3.657 -4.775 1.00 0.20 C ATOM 0 H LEU A 180 5.814 7.559 -6.773 1.00 0.13 H new ATOM 0 HA LEU A 180 7.064 6.268 -4.601 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.710 5.984 -5.760 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.554 4.824 -6.768 1.00 0.17 H new ATOM 0 HG LEU A 180 6.115 3.452 -4.885 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.521 4.129 -2.595 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.654 5.282 -3.339 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.926 5.687 -3.213 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.912 2.901 -3.996 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.273 4.441 -4.619 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.856 3.197 -5.750 1.00 0.20 H new ATOM 1492 N ALA A 181 8.752 4.732 -5.453 1.00 0.12 N ATOM 1493 CA ALA A 181 9.913 4.024 -5.883 1.00 0.13 C ATOM 1494 C ALA A 181 9.582 2.604 -6.292 1.00 0.14 C ATOM 1495 O ALA A 181 9.944 2.150 -7.375 1.00 0.15 O ATOM 1496 CB ALA A 181 10.910 4.015 -4.761 1.00 0.13 C ATOM 0 H ALA A 181 8.585 4.694 -4.447 1.00 0.12 H new ATOM 0 HA ALA A 181 10.327 4.526 -6.758 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.805 3.477 -5.074 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.175 5.040 -4.502 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.475 3.522 -3.892 1.00 0.13 H new ATOM 1502 N THR A 182 8.891 1.911 -5.402 1.00 0.15 N ATOM 1503 CA THR A 182 8.581 0.511 -5.593 1.00 0.18 C ATOM 1504 C THR A 182 7.775 -0.009 -4.431 1.00 0.17 C ATOM 1505 O THR A 182 7.529 0.699 -3.459 1.00 0.16 O ATOM 1506 CB THR A 182 9.857 -0.336 -5.689 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.564 -1.634 -6.230 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.461 -0.472 -4.302 1.00 0.24 C ATOM 0 H THR A 182 8.532 2.304 -4.532 1.00 0.15 H new ATOM 0 HA THR A 182 8.016 0.433 -6.522 1.00 0.18 H new ATOM 0 HB THR A 182 10.566 0.155 -6.355 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.389 -2.159 -6.285 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.369 -1.072 -4.358 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.703 0.517 -3.912 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.745 -0.958 -3.639 1.00 0.24 H new ATOM 1516 N ILE A 183 7.398 -1.257 -4.554 1.00 0.20 N ATOM 1517 CA ILE A 183 6.701 -2.001 -3.540 1.00 0.18 C ATOM 1518 C ILE A 183 7.075 -3.451 -3.742 1.00 0.20 C ATOM 1519 O ILE A 183 7.045 -3.941 -4.871 1.00 0.28 O ATOM 1520 CB ILE A 183 5.186 -1.847 -3.659 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.796 -0.451 -3.237 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.480 -2.889 -2.816 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.576 0.490 -4.382 1.00 0.20 C ATOM 0 H ILE A 183 7.576 -1.802 -5.397 1.00 0.20 H new ATOM 0 HA ILE A 183 6.981 -1.633 -2.553 1.00 0.18 H new ATOM 0 HB ILE A 183 4.883 -2.001 -4.695 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.884 -0.503 -2.642 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.575 -0.046 -2.591 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.401 -2.765 -2.912 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.763 -3.885 -3.157 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.767 -2.768 -1.772 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.299 1.472 -3.998 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.493 0.574 -4.965 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.776 0.110 -5.017 1.00 0.20 H new ATOM 1535 N VAL A 184 7.469 -4.121 -2.689 1.00 0.21 N ATOM 1536 CA VAL A 184 7.987 -5.465 -2.823 1.00 0.24 C ATOM 1537 C VAL A 184 7.400 -6.394 -1.802 1.00 0.23 C ATOM 1538 O VAL A 184 7.622 -6.195 -0.618 1.00 0.22 O ATOM 1539 CB VAL A 184 9.500 -5.473 -2.624 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.025 -6.892 -2.644 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.173 -4.614 -3.677 1.00 0.34 C ATOM 0 H VAL A 184 7.443 -3.764 -1.734 1.00 0.21 H new ATOM 0 HA VAL A 184 7.719 -5.802 -3.824 1.00 0.24 H new ATOM 0 HB VAL A 184 9.734 -5.047 -1.648 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.106 -6.882 -2.501 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.558 -7.464 -1.842 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.790 -7.353 -3.603 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.252 -4.629 -3.523 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.942 -5.005 -4.668 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.809 -3.590 -3.598 1.00 0.34 H new ATOM 1551 N ASN A 185 6.696 -7.426 -2.250 1.00 0.29 N ATOM 1552 CA ASN A 185 6.248 -8.468 -1.340 1.00 0.32 C ATOM 1553 C ASN A 185 7.459 -9.077 -0.698 1.00 0.33 C ATOM 1554 O ASN A 185 8.129 -9.924 -1.265 1.00 0.40 O ATOM 1555 CB ASN A 185 5.426 -9.538 -2.066 1.00 0.44 C ATOM 1556 CG ASN A 185 4.000 -9.100 -2.335 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.714 -7.912 -2.467 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.098 -10.063 -2.425 1.00 1.57 N ATOM 0 H ASN A 185 6.427 -7.562 -3.224 1.00 0.29 H new ATOM 0 HA ASN A 185 5.596 -8.031 -0.584 1.00 0.32 H new ATOM 0 HB2 ASN A 185 5.911 -9.783 -3.011 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.415 -10.449 -1.468 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.122 -9.832 -2.611 1.00 1.57 H new ATOM 0 HD22 ASN A 185 3.378 -11.037 -2.309 1.00 1.57 H new ATOM 1565 N MET A 186 7.699 -8.594 0.504 1.00 0.31 N ATOM 1566 CA MET A 186 8.889 -8.839 1.292 1.00 0.36 C ATOM 1567 C MET A 186 9.201 -10.288 1.414 1.00 0.43 C ATOM 1568 O MET A 186 10.343 -10.691 1.618 1.00 0.53 O ATOM 1569 CB MET A 186 8.631 -8.260 2.665 1.00 0.36 C ATOM 1570 CG MET A 186 8.680 -6.750 2.713 1.00 0.34 C ATOM 1571 SD MET A 186 10.307 -6.118 3.190 1.00 0.94 S ATOM 1572 CE MET A 186 11.368 -6.860 1.955 1.00 1.42 C ATOM 0 H MET A 186 7.033 -7.988 0.983 1.00 0.31 H new ATOM 0 HA MET A 186 9.747 -8.376 0.803 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.652 -8.593 3.011 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.368 -8.660 3.361 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.412 -6.351 1.735 1.00 0.34 H new ATOM 0 HG3 MET A 186 7.933 -6.389 3.420 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.368 -6.432 2.030 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.421 -7.936 2.120 1.00 1.42 H new ATOM 0 HE3 MET A 186 10.963 -6.664 0.962 1.00 1.42 H new ATOM 1582 N GLU A 187 8.171 -11.052 1.278 1.00 0.43 N ATOM 1583 CA GLU A 187 8.242 -12.442 1.483 1.00 0.51 C ATOM 1584 C GLU A 187 9.012 -13.103 0.373 1.00 0.59 C ATOM 1585 O GLU A 187 9.814 -14.011 0.585 1.00 0.68 O ATOM 1586 CB GLU A 187 6.832 -12.948 1.536 1.00 0.50 C ATOM 1587 CG GLU A 187 5.918 -11.947 2.206 1.00 0.42 C ATOM 1588 CD GLU A 187 4.844 -12.567 3.066 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.386 -11.887 4.008 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.454 -13.722 2.809 1.00 0.67 O ATOM 0 H GLU A 187 7.245 -10.714 1.017 1.00 0.43 H new ATOM 0 HA GLU A 187 8.766 -12.673 2.411 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.477 -13.150 0.525 1.00 0.50 H new ATOM 0 HB3 GLU A 187 6.802 -13.893 2.079 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.520 -11.278 2.822 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.445 -11.334 1.439 1.00 0.42 H new ATOM 1597 N ASN A 188 8.742 -12.625 -0.810 1.00 0.58 N ATOM 1598 CA ASN A 188 9.403 -13.120 -1.998 1.00 0.67 C ATOM 1599 C ASN A 188 10.510 -12.184 -2.447 1.00 0.64 C ATOM 1600 O ASN A 188 11.465 -12.625 -3.077 1.00 0.74 O ATOM 1601 CB ASN A 188 8.400 -13.328 -3.134 1.00 0.73 C ATOM 1602 CG ASN A 188 7.283 -14.288 -2.768 1.00 1.45 C ATOM 1603 OD1 ASN A 188 6.242 -13.878 -2.252 1.00 2.36 O ATOM 1604 ND2 ASN A 188 7.485 -15.568 -3.036 1.00 1.95 N ATOM 0 H ASN A 188 8.062 -11.885 -0.984 1.00 0.58 H new ATOM 0 HA ASN A 188 9.850 -14.081 -1.744 1.00 0.67 H new ATOM 0 HB2 ASN A 188 7.969 -12.366 -3.412 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.925 -13.707 -4.011 1.00 0.73 H new ATOM 0 HD21 ASN A 188 6.765 -16.255 -2.815 1.00 1.95 H new ATOM 0 HD22 ASN A 188 8.361 -15.867 -3.464 1.00 1.95 H new ATOM 1611 N ASN A 189 10.345 -10.894 -2.113 1.00 0.53 N ATOM 1612 CA ASN A 189 11.316 -9.822 -2.360 1.00 0.52 C ATOM 1613 C ASN A 189 12.114 -9.948 -3.664 1.00 0.61 C ATOM 1614 O ASN A 189 13.254 -9.487 -3.754 1.00 0.71 O ATOM 1615 CB ASN A 189 12.219 -9.655 -1.139 1.00 0.59 C ATOM 1616 CG ASN A 189 13.393 -10.626 -1.045 1.00 1.12 C ATOM 1617 OD1 ASN A 189 13.327 -11.770 -1.480 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.483 -10.164 -0.455 1.00 1.74 N ATOM 0 H ASN A 189 9.501 -10.560 -1.647 1.00 0.53 H new ATOM 0 HA ASN A 189 10.735 -8.912 -2.512 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.612 -8.638 -1.137 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.609 -9.763 -0.242 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.301 -10.765 -0.351 1.00 1.74 H new ATOM 0 HD22 ASN A 189 14.506 -9.207 -0.104 1.00 1.74 H new